For BMRB entry 19854: ############################################################################ For conformer 1: Atom Original Corrected SPARTA Difference RESID 2 (A): N 131.228 131.228 123.182 8.046 RESID 2 (A): C 187.031 187.031 179.531 7.500 RESID 2 (A): CA 53.407 53.407 55.081 -1.674 RESID 2 (A): CB 20.027 20.027 18.335 1.692 RESID 2 (A): H 10.644 10.644 8.308 2.336 RESID 3 (A): N 124.521 124.521 120.687 3.834 RESID 3 (A): C 176.566 176.566 179.113 -2.547 RESID 3 (A): CA 49.894 49.894 54.288 -4.394 RESID 3 (A): CB 18.270 18.270 17.895 0.375 RESID 3 (A): H 8.669 8.669 8.334 0.335 RESID 4 (Q): N 118.080 118.080 117.203 0.877 RESID 4 (Q): C 176.273 176.273 176.819 -0.546 RESID 4 (Q): CA 54.579 54.579 56.605 -2.026 RESID 4 (Q): CB 27.054 27.054 29.128 -2.074 RESID 4 (Q): H 8.919 8.919 8.157 0.762 RESID 5 (G): N 121.002 121.002 105.237 15.765 RESID 5 (G): C 181.877 181.877 173.738 8.139 RESID 5 (G): CA 45.794 45.794 44.748 1.046 RESID 5 (G): H 8.082 8.082 8.139 -0.057 RESID 6 (E): N 129.435 129.435 121.279 8.156 RESID 6 (E): C 176.566 176.566 174.858 1.708 RESID 6 (E): CA 56.336 56.336 53.436 2.900 RESID 6 (E): CB 28.811 28.811 29.693 -0.882 RESID 6 (E): H 9.267 9.267 7.806 1.461 RESID 7 (P): C 176.566 176.566 176.863 -0.297 RESID 7 (P): CA 63.672 63.672 65.143 -1.471 RESID 7 (P): CB 31.146 31.146 32.117 -0.971 RESID 8 (Q): N 112.502 112.502 113.906 -1.404 RESID 8 (Q): C 177.445 177.445 175.499 1.946 RESID 8 (Q): CA 50.479 50.479 56.133 -5.654 RESID 8 (Q): CB 28.811 28.811 31.546 -2.735 RESID 8 (Q): H 6.220 6.220 8.197 -1.977 RESID 9 (V): N 117.416 117.416 118.617 -1.201 RESID 9 (V): C 178.324 178.324 173.820 4.504 RESID 9 (V): CA 63.363 63.363 60.664 2.699 RESID 9 (V): CB 34.668 34.668 34.787 -0.119 RESID 9 (V): H 6.561 6.561 7.753 -1.192 RESID 10 (Q): N 113.896 113.896 123.109 -9.213 RESID 10 (Q): C 176.273 176.273 174.364 1.909 RESID 10 (Q): CA 55.164 55.164 53.754 1.410 RESID 10 (Q): CB 28.226 28.226 32.219 -3.993 RESID 10 (Q): H 7.847 7.847 7.969 -0.122 RESID 11 (F): N 118.744 118.744 124.415 -5.671 RESID 11 (F): C 176.566 176.566 174.871 1.695 RESID 11 (F): CA 59.849 59.849 56.502 3.347 RESID 11 (F): CB 41.109 41.109 42.452 -1.343 RESID 11 (F): H 8.262 8.262 9.088 -0.826 RESID 12 (K): N 129.437 129.437 126.146 3.291 RESID 12 (K): C 178.609 178.609 174.875 3.734 RESID 12 (K): CA 57.808 57.808 55.950 1.858 RESID 12 (K): H 10.015 10.015 8.875 1.140 RESID 13 (L): N 112.103 112.103 129.603 -17.500 RESID 13 (L): C 177.738 177.738 174.644 3.094 RESID 13 (L): CA 54.579 54.579 53.529 1.050 RESID 13 (L): CB 42.866 42.866 46.182 -3.316 RESID 13 (L): H 6.905 6.905 8.959 -2.054 RESID 14 (V): N 127.310 127.310 126.706 0.604 RESID 14 (V): C 175.393 175.393 174.193 1.200 RESID 14 (V): CA 70.976 70.976 61.777 9.199 RESID 14 (V): CB 28.811 28.811 33.411 -4.601 RESID 14 (V): H 8.305 8.305 8.732 -0.427 RESID 15 (L): N 128.640 128.640 130.991 -2.351 RESID 15 (L): C 177.730 177.730 175.109 2.621 RESID 15 (L): CA 55.758 55.758 53.280 2.478 RESID 15 (L): H 7.718 7.718 8.938 -1.220 RESID 16 (V): N 121.267 121.267 121.611 -0.344 RESID 16 (V): C 178.324 178.324 174.277 4.047 RESID 16 (V): CA 63.363 63.363 58.672 4.691 RESID 16 (V): CB 35.839 35.839 35.211 0.628 RESID 16 (V): H 8.935 8.935 8.872 0.063 RESID 17 (G): N 127.908 127.908 106.794 21.114 RESID 17 (G): C 174.514 174.514 172.586 1.928 RESID 17 (G): CA 42.281 42.281 44.531 -2.250 RESID 17 (G): H 9.682 9.682 6.792 2.890 RESID 18 (D): N 125.054 125.054 120.808 4.246 RESID 18 (D): C 176.851 176.851 177.591 -0.740 RESID 18 (D): CA 57.515 57.515 54.603 2.912 RESID 18 (D): CB 46.090 46.090 42.004 4.087 RESID 18 (D): H 8.282 8.282 8.280 0.002 RESID 19 (G): N 120.670 120.670 107.056 13.614 RESID 19 (G): C 178.324 178.324 175.142 3.182 RESID 19 (G): CA 42.281 42.281 45.795 -3.514 RESID 19 (G): H 8.825 8.825 8.671 0.154 RESID 20 (G): N 129.369 129.369 112.605 16.764 RESID 20 (G): C 174.221 174.221 175.773 -1.552 RESID 20 (G): CA 41.695 41.695 45.600 -3.905 RESID 20 (G): H 8.477 8.477 8.618 -0.141 RESID 21 (T): N 122.199 122.199 114.155 8.044 RESID 21 (T): C 171.291 171.291 175.106 -3.815 RESID 21 (T): CA 61.914 61.914 64.601 -2.687 RESID 21 (T): CB 65.137 65.137 69.272 -4.135 RESID 21 (T): H 8.059 8.059 7.664 0.395 RESID 22 (G): N 112.369 112.369 108.318 4.051 RESID 22 (G): C 184.807 184.807 175.470 9.337 RESID 22 (G): CA 45.209 45.209 45.065 0.144 RESID 22 (G): H 6.772 6.772 8.330 -1.558 RESID 23 (K): N 122.066 122.066 120.584 1.482 RESID 23 (K): C 178.589 178.589 178.225 0.364 RESID 23 (K): CA 58.101 58.101 59.865 -1.764 RESID 23 (K): CB 40.230 40.230 32.402 7.828 RESID 23 (K): H 7.441 7.441 7.591 -0.150 RESID 24 (T): N 114.627 114.627 114.058 0.569 RESID 24 (T): C 178.324 178.324 176.796 1.528 RESID 24 (T): CA 62.192 62.192 67.128 -4.936 RESID 24 (T): CB 71.562 71.562 68.149 3.413 RESID 24 (T): H 8.469 8.469 8.505 -0.036 RESID 25 (T): N 110.377 110.377 119.300 -8.923 RESID 25 (T): C 178.324 178.324 176.117 2.207 RESID 25 (T): CA 64.534 64.534 66.813 -2.279 RESID 25 (T): CB 71.562 71.562 68.424 3.138 RESID 25 (T): H 8.415 8.415 8.127 0.288 RESID 26 (F): N 114.295 114.295 122.520 -8.225 RESID 26 (F): C 174.514 174.514 176.926 -2.412 RESID 26 (F): CA 53.407 53.407 61.904 -8.497 RESID 26 (F): CB 40.524 40.524 39.176 1.348 RESID 26 (F): H 7.707 7.707 8.451 -0.744 RESID 27 (V): N 123.525 123.525 119.958 3.567 RESID 27 (V): C 178.031 178.031 177.886 0.145 RESID 27 (V): CA 67.462 67.462 67.186 0.276 RESID 27 (V): CB 29.397 29.397 31.515 -2.118 RESID 27 (V): H 6.967 6.967 8.263 -1.296 RESID 28 (K): N 114.228 114.228 119.528 -5.300 RESID 28 (K): C 176.566 176.566 178.597 -2.031 RESID 28 (K): CA 58.092 58.092 59.849 -1.757 RESID 28 (K): CB 34.082 34.082 31.897 2.185 RESID 28 (K): H 7.429 7.429 8.177 -0.748 RESID 29 (R): N 112.037 112.037 119.735 -7.698 RESID 29 (R): C 174.221 174.221 178.975 -4.754 RESID 29 (R): CA 72.147 72.147 58.946 13.201 RESID 29 (R): CB 37.596 37.596 29.712 7.885 RESID 29 (R): H 6.803 6.803 7.932 -1.129 RESID 30 (H): N 122.396 122.396 117.263 5.133 RESID 30 (H): C 172.170 172.170 176.858 -4.688 RESID 30 (H): CA 51.651 51.651 59.081 -7.430 RESID 30 (H): CB 30.568 30.568 29.722 0.846 RESID 30 (H): H 7.644 7.644 7.490 0.154 RESID 31 (L): N 110.377 110.377 117.134 -6.757 RESID 31 (L): C 178.031 178.031 178.492 -0.461 RESID 31 (L): CA 55.164 55.164 57.217 -2.053 RESID 31 (L): CB 42.281 42.281 42.265 0.016 RESID 31 (L): H 7.894 7.894 8.068 -0.174 RESID 32 (T): N 121.468 121.468 106.209 15.259 RESID 32 (T): C 170.705 170.705 175.588 -4.883 RESID 32 (T): CA 63.668 63.668 61.829 1.839 RESID 32 (T): CB 75.679 75.679 70.738 4.941 RESID 32 (T): H 8.372 8.372 8.258 0.114 RESID 33 (G): N 127.841 127.841 110.001 17.840 RESID 33 (G): C 161.914 161.914 174.166 -12.252 RESID 33 (G): CA 42.866 42.866 44.753 -1.887 RESID 33 (G): H 9.662 9.662 7.749 1.913 RESID 34 (E): N 120.871 120.871 120.068 0.803 RESID 34 (E): C 174.508 174.508 174.804 -0.296 RESID 34 (E): CA 58.101 58.101 56.032 2.069 RESID 34 (E): CB 34.371 34.371 30.656 3.715 RESID 34 (E): H 8.211 8.211 7.424 0.787 RESID 35 (F): N 111.838 111.838 119.620 -7.782 RESID 35 (F): C 174.221 174.221 175.314 -1.093 RESID 35 (F): CA 49.308 49.308 56.958 -7.650 RESID 35 (F): CB 41.695 41.695 40.623 1.072 RESID 35 (F): H 6.772 6.772 8.453 -1.681 RESID 36 (E): N 120.672 120.672 125.463 -4.791 RESID 36 (E): C 175.686 175.686 176.461 -0.775 RESID 36 (E): CA 58.980 58.980 55.246 3.734 RESID 36 (E): CB 48.140 48.140 29.553 18.587 RESID 36 (E): H 8.293 8.293 8.637 -0.344 RESID 37 (K): N 118.810 118.810 126.420 -7.610 RESID 37 (K): C 172.756 172.756 177.470 -4.714 RESID 37 (K): CA 48.137 48.137 57.111 -8.974 RESID 37 (K): CB 37.010 37.010 32.674 4.336 RESID 37 (K): H 8.509 8.509 8.465 0.044 RESID 38 (K): N 108.052 108.052 120.342 -12.290 RESID 38 (K): C 176.273 176.273 176.006 0.267 RESID 38 (K): CA 59.849 59.849 56.110 3.739 RESID 38 (K): CB 34.668 34.668 32.810 1.858 RESID 38 (K): H 7.715 7.715 7.714 0.001 RESID 39 (Y): N 108.650 108.650 123.154 -14.504 RESID 39 (Y): C 175.686 175.686 175.803 -0.117 RESID 39 (Y): CA 61.020 61.020 58.161 2.859 RESID 39 (Y): CB 36.424 36.424 38.937 -2.513 RESID 39 (Y): H 7.362 7.362 8.577 -1.215 RESID 40 (V): N 117.947 117.947 127.277 -9.330 RESID 40 (V): C 175.393 175.393 175.286 0.107 RESID 40 (V): CA 61.020 61.020 61.171 -0.151 RESID 40 (V): CB 31.154 31.154 34.009 -2.855 RESID 40 (V): H 8.442 8.442 8.351 0.091 RESID 42 (T): N 117.150 117.150 117.359 -0.209 RESID 42 (T): C 178.910 178.910 173.721 5.189 RESID 42 (T): CA 60.435 60.435 62.671 -2.236 RESID 42 (T): CB 70.390 70.390 69.633 0.757 RESID 42 (T): H 8.192 8.192 8.359 -0.167 RESID 43 (L): N 119.209 119.209 127.812 -8.603 RESID 43 (L): C 174.807 174.807 177.729 -2.922 RESID 43 (L): CA 57.507 57.507 54.256 3.251 RESID 43 (L): CB 42.866 42.866 42.691 0.174 RESID 43 (L): H 9.260 9.260 8.511 0.749 RESID 44 (G): N 114.361 114.361 114.004 0.357 RESID 44 (G): C 178.910 178.910 172.682 6.228 RESID 44 (G): CA 54.579 54.579 46.116 8.463 RESID 44 (G): H 6.979 6.979 8.656 -1.677 RESID 45 (V): N 110.244 110.244 124.008 -13.764 RESID 45 (V): C 174.807 174.807 174.574 0.233 RESID 45 (V): CA 63.363 63.363 59.931 3.432 RESID 45 (V): CB 17.099 17.099 34.815 -17.716 RESID 45 (V): H 8.309 8.309 8.170 0.139 RESID 46 (E): N 130.365 130.365 128.763 1.602 RESID 46 (E): C 176.859 176.859 174.394 2.465 RESID 46 (E): CA 55.164 55.164 53.659 1.505 RESID 46 (E): CB 32.325 32.325 32.017 0.308 RESID 46 (E): H 9.741 9.741 8.916 0.825 RESID 47 (V): N 125.254 125.254 125.183 0.071 RESID 47 (V): C 175.661 175.661 175.804 -0.143 RESID 47 (V): CA 63.375 63.375 61.195 2.180 RESID 47 (V): CB 37.300 37.300 32.383 4.917 RESID 47 (V): H 8.250 8.250 8.228 0.022 RESID 48 (H): N 129.236 129.236 127.304 1.932 RESID 48 (H): C 169.240 169.240 173.117 -3.877 RESID 48 (H): CA 49.894 49.894 53.482 -3.588 RESID 48 (H): CB 27.640 27.640 32.184 -4.544 RESID 48 (H): H 10.390 10.390 9.175 1.215 RESID 49 (P): C 176.273 176.273 175.639 0.634 RESID 49 (P): CA 62.500 62.500 62.586 -0.085 RESID 49 (P): CB 29.974 29.974 32.284 -2.310 RESID 50 (L): N 119.408 119.408 127.505 -8.097 RESID 50 (L): C 177.445 177.445 174.543 2.902 RESID 50 (L): CA 59.264 59.264 54.599 4.665 RESID 50 (L): CB 42.281 42.281 45.590 -3.309 RESID 50 (L): H 7.492 7.492 9.029 -1.537 RESID 51 (V): N 117.947 117.947 126.258 -8.311 RESID 51 (V): C 174.514 174.514 175.555 -1.041 RESID 51 (V): CA 64.534 64.534 61.138 3.396 RESID 51 (V): CB 37.010 37.010 33.658 3.352 RESID 51 (V): H 7.715 7.715 8.112 -0.397 RESID 52 (F): N 124.853 124.853 126.310 -1.457 RESID 52 (F): C 175.100 175.100 174.154 0.946 RESID 52 (F): CA 56.336 56.336 56.805 -0.469 RESID 52 (F): CB 39.938 39.938 43.417 -3.479 RESID 52 (F): H 8.935 8.935 9.284 -0.349 RESID 53 (H): N 120.603 120.603 122.917 -2.314 RESID 53 (H): C 170.119 170.119 174.262 -4.143 RESID 53 (H): CA 55.164 55.164 55.332 -0.168 RESID 53 (H): CB 30.568 30.568 32.018 -1.450 RESID 53 (H): H 8.356 8.356 9.469 -1.113 RESID 54 (T): N 112.634 112.634 118.828 -6.194 RESID 54 (T): C 178.910 178.910 176.195 2.715 RESID 54 (T): CA 63.363 63.363 59.480 3.883 RESID 54 (T): CB 72.733 72.733 71.922 0.811 RESID 54 (T): H 7.574 7.574 8.083 -0.509 RESID 55 (N): N 131.095 131.095 119.804 11.291 RESID 55 (N): C 176.273 176.273 176.788 -0.515 RESID 55 (N): CA 51.065 51.065 55.929 -4.864 RESID 55 (N): CB 37.010 37.010 38.309 -1.299 RESID 55 (N): H 10.187 10.187 8.678 1.509 RESID 56 (R): N 122.064 122.064 118.977 3.087 RESID 56 (R): C 175.100 175.100 175.836 -0.736 RESID 56 (R): CA 61.606 61.606 55.715 5.891 RESID 56 (R): CB 32.911 32.911 30.375 2.535 RESID 56 (R): H 7.433 7.433 7.681 -0.248 RESID 57 (G): N 127.709 127.709 108.246 19.463 RESID 57 (G): C 175.979 175.979 171.509 4.470 RESID 57 (G): CA 42.281 42.281 44.023 -1.742 RESID 57 (G): H 9.373 9.373 7.555 1.818 RESID 58 (P): C 177.152 177.152 176.166 0.986 RESID 58 (P): CA 65.137 65.137 62.685 2.452 RESID 58 (P): CB 29.095 29.095 32.242 -3.147 RESID 59 (I): N 128.638 128.638 115.024 13.614 RESID 59 (I): C 175.979 175.979 173.894 2.085 RESID 59 (I): CA 65.120 65.120 59.209 5.911 RESID 59 (I): CB 40.524 40.524 42.279 -1.755 RESID 59 (I): H 8.794 8.794 8.952 -0.158 RESID 60 (K): N 127.711 127.711 124.224 3.487 RESID 60 (K): C 178.902 178.902 174.776 4.126 RESID 60 (K): CA 74.293 74.293 54.413 19.880 RESID 60 (K): CB 32.027 32.027 35.920 -3.893 RESID 60 (K): H 8.024 8.024 8.643 -0.619 RESID 61 (F): N 120.670 120.670 124.633 -3.963 RESID 61 (F): C 175.393 175.393 174.961 0.432 RESID 61 (F): CA 57.507 57.507 56.830 0.677 RESID 61 (F): CB 41.109 41.109 41.211 -0.102 RESID 61 (F): H 7.515 7.515 9.497 -1.982 RESID 62 (N): N 124.789 124.789 123.803 0.986 RESID 62 (N): C 173.336 173.336 174.662 -1.326 RESID 62 (N): CA 53.121 53.121 52.555 0.566 RESID 62 (N): CB 41.695 41.695 39.516 2.179 RESID 62 (N): H 8.325 8.325 9.338 -1.013 RESID 63 (V): N 106.127 106.127 127.130 -21.003 RESID 63 (V): C 175.100 175.100 175.434 -0.334 RESID 63 (V): CA 61.020 61.020 63.054 -2.034 RESID 63 (V): CB 31.154 31.154 32.811 -1.657 RESID 63 (V): H 8.113 8.113 8.939 -0.826 RESID 64 (W): N 129.302 129.302 130.047 -0.745 RESID 64 (W): C 177.152 177.152 175.179 1.973 RESID 64 (W): CA 59.264 59.264 55.818 3.446 RESID 64 (W): CB 29.397 29.397 29.749 -0.352 RESID 64 (W): H 8.970 8.970 9.643 -0.673 RESID 65 (D): N 119.607 119.607 126.111 -6.504 RESID 65 (D): C 174.514 174.514 175.792 -1.278 RESID 65 (D): CA 55.164 55.164 53.221 1.943 RESID 65 (D): CB 41.109 41.109 43.018 -1.909 RESID 65 (D): H 8.638 8.638 9.076 -0.438 RESID 66 (T): N 122.463 122.463 117.791 4.672 RESID 66 (T): C 178.617 178.617 173.699 4.918 RESID 66 (T): CA 68.048 68.048 59.617 8.431 RESID 66 (T): CB 71.562 71.562 71.311 0.251 RESID 66 (T): H 8.293 8.293 8.442 -0.149 RESID 67 (A): N 104.865 104.865 122.402 -17.537 RESID 67 (A): C 177.738 177.738 178.258 -0.520 RESID 67 (A): CA 48.722 48.722 51.629 -2.907 RESID 67 (A): CB 14.171 14.171 20.105 -5.934 RESID 67 (A): H 8.657 8.657 7.936 0.721 RESID 68 (G): N 115.357 115.357 110.025 5.332 RESID 68 (G): C 189.533 189.533 176.072 13.461 RESID 68 (G): CA 45.209 45.209 46.114 -0.905 RESID 68 (G): H 10.969 10.969 8.960 2.009 RESID 69 (Q): N 122.730 122.730 119.914 2.816 RESID 69 (Q): C 174.508 174.508 176.321 -1.813 RESID 69 (Q): CA 58.394 58.394 57.436 0.958 RESID 69 (Q): CB 31.441 31.441 28.772 2.669 RESID 69 (Q): H 8.336 8.336 8.514 -0.178 RESID 70 (E): N 114.826 114.826 120.381 -5.555 RESID 70 (E): C 176.273 176.273 175.632 0.641 RESID 70 (E): CA 57.507 57.507 56.489 1.018 RESID 70 (E): CB 28.811 28.811 30.322 -1.511 RESID 70 (E): H 9.651 9.651 8.299 1.352 RESID 71 (K): N 116.685 116.685 123.134 -6.449 RESID 71 (K): C 175.979 175.979 176.348 -0.369 RESID 71 (K): CA 48.722 48.722 56.100 -7.378 RESID 71 (K): CB 37.010 37.010 32.901 4.109 RESID 71 (K): H 8.712 8.712 8.275 0.437 RESID 72 (F): N 114.959 114.959 120.156 -5.197 RESID 72 (F): C 175.686 175.686 176.859 -1.173 RESID 72 (F): CA 56.336 56.336 58.635 -2.299 RESID 72 (F): CB 36.424 36.424 38.868 -2.444 RESID 72 (F): H 7.965 7.965 8.000 -0.035 RESID 73 (G): N 117.084 117.084 112.396 4.688 RESID 73 (G): C 168.068 168.068 174.498 -6.430 RESID 73 (G): CA 42.281 42.281 44.956 -2.675 RESID 73 (G): H 7.609 7.609 7.656 -0.047 RESID 74 (G): N 120.537 120.537 107.650 12.887 RESID 74 (G): C 174.514 174.514 176.478 -1.964 RESID 74 (G): CA 44.037 44.037 46.361 -2.324 RESID 74 (G): H 9.326 9.326 8.656 0.670 RESID 75 (L): N 127.177 127.177 121.648 5.529 RESID 75 (L): C 178.617 178.617 178.243 0.374 RESID 75 (L): CA 53.407 53.407 57.064 -3.657 RESID 75 (L): CB 42.281 42.281 41.714 0.567 RESID 75 (L): H 7.628 7.628 7.783 -0.155 RESID 76 (R): N 116.486 116.486 116.467 0.019 RESID 76 (R): C 176.859 176.859 176.795 0.064 RESID 76 (R): CA 59.264 59.264 56.257 3.007 RESID 76 (R): CB 31.154 31.154 29.739 1.415 RESID 76 (R): H 7.143 7.143 7.466 -0.323 RESID 77 (D): N 129.236 129.236 120.901 8.335 RESID 77 (D): C 177.152 177.152 177.901 -0.749 RESID 77 (D): CA 52.822 52.822 57.534 -4.712 RESID 77 (D): CB 41.695 41.695 40.380 1.315 RESID 77 (D): H 8.947 8.947 7.540 1.407 RESID 78 (G): N 127.244 127.244 107.360 19.884 RESID 78 (G): C 173.928 173.928 176.352 -2.424 RESID 78 (G): CA 44.623 44.623 47.055 -2.432 RESID 78 (G): H 8.219 8.219 8.506 -0.287 RESID 79 (Y): N 120.537 120.537 119.337 1.200 RESID 79 (Y): C 176.273 176.273 177.625 -1.352 RESID 79 (Y): CA 58.678 58.678 59.103 -0.425 RESID 79 (Y): CB 40.524 40.524 37.990 2.534 RESID 79 (Y): H 8.563 8.563 7.400 1.163 RESID 80 (Y): N 122.132 122.132 118.467 3.665 RESID 80 (Y): C 175.979 175.979 175.774 0.205 RESID 80 (Y): CA 62.203 62.203 59.313 2.890 RESID 80 (Y): CB 41.988 41.988 39.441 2.547 RESID 80 (Y): H 8.254 8.254 7.604 0.650 RESID 81 (I): N 120.072 120.072 120.419 -0.347 RESID 81 (I): C 177.445 177.445 175.935 1.510 RESID 81 (I): CA 67.462 67.462 63.461 4.002 RESID 81 (I): CB 41.109 41.109 37.891 3.218 RESID 81 (I): H 8.837 8.837 8.112 0.725 RESID 82 (Q): N 121.601 121.601 119.686 1.915 RESID 82 (Q): C 173.342 173.342 174.506 -1.164 RESID 82 (Q): CA 59.859 59.859 56.394 3.465 RESID 82 (Q): CB 30.855 30.855 25.892 4.963 RESID 82 (Q): H 8.184 8.184 9.006 -0.822 RESID 83 (A): N 109.713 109.713 119.915 -10.202 RESID 83 (A): C 175.979 175.979 177.002 -1.023 RESID 83 (A): CA 54.579 54.579 52.544 2.035 RESID 83 (A): CB 16.513 16.513 19.303 -2.790 RESID 83 (A): H 6.306 6.306 7.405 -1.099 RESID 84 (Q): N 121.203 121.203 119.309 1.894 RESID 84 (Q): C 177.144 177.144 176.028 1.116 RESID 84 (Q): CA 60.152 60.152 56.108 4.044 RESID 84 (Q): CB 34.957 34.957 31.102 3.854 RESID 84 (Q): H 8.180 8.180 8.737 -0.557 RESID 85 (C): N 120.605 120.605 111.878 8.727 RESID 85 (C): C 176.566 176.566 172.681 3.885 RESID 85 (C): CA 65.430 65.430 56.337 9.093 RESID 85 (C): CB 39.644 39.644 31.419 8.225 RESID 85 (C): H 8.364 8.364 7.667 0.697 RESID 86 (A): N 114.295 114.295 121.454 -7.159 RESID 86 (A): CA 57.507 57.507 51.001 6.506 RESID 86 (A): CB 21.784 21.784 22.897 -1.113 RESID 86 (A): H 6.897 6.897 8.674 -1.777 RESID 87 (I): N 120.670 120.670 120.360 0.310 RESID 87 (I): C 173.928 173.928 174.626 -0.698 RESID 87 (I): CA 61.020 61.020 59.999 1.020 RESID 87 (I): CB 39.938 39.938 41.366 -1.428 RESID 87 (I): H 8.282 8.282 8.620 -0.338 RESID 88 (I): N 120.205 120.205 127.212 -7.007 RESID 88 (I): C 173.635 173.635 174.924 -1.289 RESID 88 (I): CA 64.534 64.534 60.117 4.417 RESID 88 (I): CB 37.596 37.596 40.120 -2.523 RESID 88 (I): H 5.528 5.528 8.938 -3.410 RESID 89 (M): N 120.472 120.472 126.078 -5.606 RESID 89 (M): C 178.617 178.617 175.080 3.537 RESID 89 (M): CA 58.980 58.980 54.319 4.661 RESID 89 (M): CB 34.957 34.957 35.095 -0.138 RESID 89 (M): H 8.176 8.176 8.716 -0.540 RESID 90 (F): N 121.134 121.134 118.695 2.439 RESID 90 (F): C 175.393 175.393 173.001 2.392 RESID 90 (F): CA 60.435 60.435 55.360 5.075 RESID 90 (F): CB 38.767 38.767 42.115 -3.348 RESID 90 (F): H 9.334 9.334 8.724 0.610 RESID 91 (D): N 120.273 120.273 120.677 -0.404 RESID 91 (D): C 177.730 177.730 178.072 -0.342 RESID 91 (D): CA 59.859 59.859 52.345 7.514 RESID 91 (D): CB 44.039 44.039 42.758 1.281 RESID 91 (D): H 7.597 7.597 8.952 -1.355 RESID 92 (V): N 115.158 115.158 123.572 -8.414 RESID 92 (V): C 173.342 173.342 176.570 -3.228 RESID 92 (V): CA 64.534 64.534 64.957 -0.423 RESID 92 (V): CB 37.596 37.596 31.370 6.226 RESID 92 (V): H 7.738 7.738 8.563 -0.825 RESID 93 (T): N 127.179 127.179 110.198 16.981 RESID 93 (T): C 178.902 178.902 174.709 4.193 RESID 93 (T): CA 64.254 64.254 62.903 1.351 RESID 93 (T): CB 74.215 74.215 69.128 5.087 RESID 93 (T): H 7.636 7.636 8.214 -0.578 RESID 94 (S): N 122.263 122.263 116.501 5.762 RESID 94 (S): C 163.965 163.965 174.840 -10.875 RESID 94 (S): CA 59.849 59.849 55.585 4.264 RESID 94 (S): CB 62.192 62.192 64.141 -1.949 RESID 94 (S): H 7.628 7.628 7.944 -0.316 RESID 95 (R): N 113.099 113.099 128.128 -15.029 RESID 95 (R): C 176.273 176.273 177.929 -1.656 RESID 95 (R): CA 53.407 53.407 59.598 -6.191 RESID 95 (R): CB 31.154 31.154 30.115 1.039 RESID 95 (R): H 8.102 8.102 9.010 -0.908 RESID 96 (V): N 124.787 124.787 119.236 5.551 RESID 96 (V): C 178.031 178.031 177.737 0.294 RESID 96 (V): CA 68.634 68.634 66.397 2.237 RESID 96 (V): CB 24.126 24.126 31.359 -7.233 RESID 96 (V): H 9.146 9.146 8.180 0.966 RESID 97 (T): N 111.970 111.970 116.058 -4.088 RESID 97 (T): C 178.031 178.031 175.974 2.057 RESID 97 (T): CA 63.949 63.949 66.354 -2.405 RESID 97 (T): CB 70.390 70.390 69.008 1.382 RESID 97 (T): H 7.984 7.984 7.584 0.400 RESID 98 (Y): N 113.232 113.232 121.122 -7.890 RESID 98 (Y): C 176.273 176.273 177.473 -1.200 RESID 98 (Y): H 7.605 7.605 7.674 -0.069 RESID 99 (K): N 123.726 123.726 118.570 5.156 RESID 99 (K): C 178.316 178.316 178.356 -0.040 RESID 99 (K): CA 58.691 58.691 59.366 -0.675 RESID 99 (K): CB 36.127 36.127 32.013 4.114 RESID 99 (K): H 8.360 8.360 8.058 0.302 RESID 100 (N): N 111.970 111.970 115.993 -4.023 RESID 100 (N): C 175.979 175.979 176.701 -0.722 RESID 100 (N): CA 53.407 53.407 54.986 -1.579 RESID 100 (N): CB 37.596 37.596 38.758 -1.162 RESID 100 (N): H 5.778 5.778 7.633 -1.855 RESID 101 (V): N 118.877 118.877 121.574 -2.697 RESID 101 (V): C 173.635 173.635 175.086 -1.451 RESID 101 (V): CA 62.777 62.777 68.482 -5.705 RESID 101 (V): CB 27.054 27.054 29.115 -2.061 RESID 101 (V): H 7.370 7.370 7.682 -0.312 RESID 102 (P): C 176.566 176.566 176.982 -0.416 RESID 102 (P): CA 62.500 62.500 65.201 -2.701 RESID 102 (P): CB 30.853 30.853 30.855 -0.002 RESID 103 (N): N 122.728 122.728 116.581 6.147 RESID 103 (N): C 175.100 175.100 176.924 -1.824 RESID 103 (N): CA 54.579 54.579 54.767 -0.188 RESID 103 (N): CB 38.767 38.767 37.251 1.516 RESID 103 (N): H 7.879 7.879 7.443 0.436 RESID 104 (W): N 122.730 122.730 120.191 2.539 RESID 104 (W): C 174.215 174.215 177.538 -3.323 RESID 104 (W): CA 59.273 59.273 60.502 -1.229 RESID 104 (W): CB 35.250 35.250 30.055 5.195 RESID 104 (W): H 7.902 7.902 7.638 0.264 RESID 105 (H): N 120.869 120.869 117.127 3.742 RESID 105 (H): C 177.738 177.738 174.466 3.272 RESID 105 (H): H 6.971 6.971 8.408 -1.437 RESID 106 (R): N 126.314 126.314 123.332 2.982 RESID 106 (R): C 176.566 176.566 176.273 0.293 RESID 106 (R): CA 62.777 62.777 57.543 5.234 RESID 106 (R): CB 29.397 29.397 31.126 -1.729 RESID 106 (R): H 7.507 7.507 7.866 -0.359 RESID 107 (D): N 119.076 119.076 121.623 -2.547 RESID 107 (D): C 176.566 176.566 178.433 -1.867 RESID 107 (D): CA 55.164 55.164 57.655 -2.491 RESID 107 (D): CB 41.695 41.695 41.003 0.692 RESID 107 (D): H 9.076 9.076 7.890 1.186 RESID 108 (L): N 113.299 113.299 119.327 -6.028 RESID 108 (L): C 176.273 176.273 178.393 -2.120 RESID 108 (L): CA 59.264 59.264 58.255 1.009 RESID 108 (L): CB 48.722 48.722 41.386 7.336 RESID 108 (L): H 6.725 6.725 7.870 -1.145 RESID 109 (V): N 121.267 121.267 113.803 7.464 RESID 109 (V): C 175.393 175.393 178.211 -2.818 RESID 109 (V): CA 63.949 63.949 64.581 -0.632 RESID 109 (V): CB 32.911 32.911 30.963 1.948 RESID 109 (V): H 8.763 8.763 7.691 1.072 RESID 110 (R): N 112.900 112.900 120.325 -7.425 RESID 110 (R): C 176.273 176.273 177.674 -1.401 RESID 110 (R): CA 57.507 57.507 59.217 -1.710 RESID 110 (R): CB 30.568 30.568 30.198 0.370 RESID 110 (R): H 7.241 7.241 7.852 -0.611 RESID 111 (V): N 115.556 115.556 117.531 -1.975 RESID 111 (V): C 177.445 177.445 176.908 0.537 RESID 111 (V): CA 59.849 59.849 65.154 -5.305 RESID 111 (V): CB 32.911 32.911 32.959 -0.048 RESID 111 (V): H 7.566 7.566 7.723 -0.157 RESID 112 (C): N 114.295 114.295 115.287 -0.992 RESID 112 (C): C 169.826 169.826 174.544 -4.718 RESID 112 (C): CA 57.507 57.507 59.028 -1.521 RESID 112 (C): CB 35.839 35.839 29.120 6.719 RESID 112 (C): H 7.425 7.425 8.251 -0.826 RESID 113 (E): N 116.486 116.486 117.726 -1.240 RESID 113 (E): C 176.566 176.566 175.837 0.729 RESID 113 (E): CA 69.219 69.219 58.349 10.870 RESID 113 (E): CB 30.568 30.568 28.229 2.339 RESID 113 (E): H 7.241 7.241 8.060 -0.819 RESID 114 (N): N 129.302 129.302 122.072 7.230 RESID 114 (N): C 175.100 175.100 174.763 0.337 RESID 114 (N): CA 52.236 52.236 53.090 -0.854 RESID 114 (N): CB 39.938 39.938 38.137 1.801 RESID 114 (N): H 8.919 8.919 8.243 0.676 RESID 115 (I): N 110.443 110.443 121.282 -10.839 RESID 115 (I): C 175.100 175.100 173.160 1.940 RESID 115 (I): CA 65.705 65.705 58.018 7.687 RESID 115 (I): CB 39.353 39.353 39.841 -0.488 RESID 115 (I): H 9.287 9.287 7.785 1.502 RESID 116 (P): C 175.979 175.979 175.555 0.424 RESID 116 (P): CA 63.086 63.086 63.180 -0.094 RESID 116 (P): CB 29.681 29.681 32.224 -2.543 RESID 117 (I): N 123.591 123.591 124.375 -0.784 RESID 117 (I): C 174.807 174.807 174.978 -0.171 RESID 117 (I): CA 66.291 66.291 60.335 5.956 RESID 117 (I): CB 38.767 38.767 42.224 -3.457 RESID 117 (I): H 7.781 7.781 8.472 -0.691 RESID 118 (V): N 119.009 119.009 125.831 -6.822 RESID 118 (V): C 178.324 178.324 174.782 3.542 RESID 118 (V): CA 62.777 62.777 60.904 1.873 RESID 118 (V): CB 31.154 31.154 34.012 -2.858 RESID 118 (V): H 8.767 8.767 8.567 0.200 RESID 119 (L): N 119.408 119.408 126.825 -7.417 RESID 119 (L): C 178.031 178.031 176.121 1.910 RESID 119 (L): CA 42.866 42.866 53.816 -10.950 RESID 119 (L): CB 38.767 38.767 43.602 -4.835 RESID 119 (L): H 7.734 7.734 9.269 -1.535 RESID 120 (C): N 113.232 113.232 122.360 -9.128 RESID 120 (C): C 178.031 178.031 174.260 3.771 RESID 120 (C): H 8.317 8.317 9.141 -0.824 RESID 121 (G): N 117.349 117.349 113.025 4.324 RESID 121 (G): C 176.851 176.851 173.135 3.716 RESID 121 (G): CA 41.109 41.109 43.584 -2.475 RESID 121 (G): H 7.515 7.515 9.011 -1.496 RESID 122 (N): N 125.318 125.318 125.958 -0.640 RESID 122 (N): C 175.686 175.686 175.664 0.022 RESID 122 (N): CA 50.479 50.479 52.678 -2.199 RESID 122 (N): CB 39.353 39.353 40.549 -1.196 RESID 122 (N): H 9.162 9.162 8.561 0.601 RESID 123 (K): N 122.132 122.132 113.788 8.344 RESID 123 (K): C 173.043 173.043 177.463 -4.420 RESID 123 (K): CA 58.101 58.101 57.622 0.479 RESID 123 (K): CB 35.543 35.543 30.027 5.516 RESID 123 (K): H 7.953 7.953 8.860 -0.907 RESID 124 (V): N 123.726 123.726 113.010 10.716 RESID 124 (V): C 175.679 175.679 176.609 -0.930 RESID 124 (V): CA 64.840 64.840 64.779 0.061 RESID 124 (V): CB 42.574 42.574 31.448 11.126 RESID 124 (V): H 8.555 8.555 7.522 1.033 RESID 125 (D): N 119.607 119.607 119.345 0.262 RESID 125 (D): C 176.566 176.566 176.609 -0.043 RESID 125 (D): CA 55.750 55.750 56.353 -0.604 RESID 125 (D): CB 40.524 40.524 41.099 -0.575 RESID 125 (D): H 7.875 7.875 8.069 -0.194 RESID 126 (I): N 116.088 116.088 120.063 -3.975 RESID 126 (I): C 177.152 177.152 176.345 0.807 RESID 126 (I): CA 66.291 66.291 62.027 4.264 RESID 126 (I): CB 39.353 39.353 38.172 1.181 RESID 126 (I): H 7.511 7.511 7.499 0.012 RESID 127 (K): N 121.203 121.203 127.118 -5.915 RESID 127 (K): C 175.979 175.979 177.380 -1.401 RESID 127 (K): CA 58.101 58.101 59.221 -1.120 RESID 127 (K): CB 35.834 35.834 32.768 3.066 RESID 127 (K): H 8.113 8.113 8.499 -0.386 RESID 128 (D): N 118.279 118.279 119.300 -1.021 RESID 128 (D): C 176.566 176.566 175.433 1.133 RESID 128 (D): CA 53.407 53.407 52.762 0.645 RESID 128 (D): CB 40.524 40.524 39.909 0.615 RESID 128 (D): H 7.241 7.241 8.395 -1.154 RESID 129 (R): N 118.943 118.943 122.312 -3.369 RESID 129 (R): C 177.738 177.738 176.718 1.020 RESID 129 (R): CA 45.794 45.794 56.711 -10.917 RESID 129 (R): CB 31.154 31.154 31.140 0.014 RESID 129 (R): H 8.423 8.423 7.830 0.593 RESID 130 (K): N 109.381 109.381 121.302 -11.921 RESID 130 (K): C 176.566 176.566 176.919 -0.353 RESID 130 (K): CA 55.164 55.164 56.255 -1.091 RESID 130 (K): CB 36.424 36.424 33.859 2.565 RESID 130 (K): H 7.296 7.296 8.552 -1.256 RESID 131 (V): N 110.377 110.377 121.725 -11.348 RESID 131 (V): C 178.617 178.617 174.429 4.188 RESID 131 (V): CA 65.705 65.705 61.570 4.135 RESID 131 (V): CB 35.839 35.839 31.276 4.563 RESID 131 (V): H 9.283 9.283 8.057 1.226 RESID 132 (K): N 110.310 110.310 128.108 -17.798 RESID 132 (K): C 176.273 176.273 177.359 -1.086 RESID 132 (K): CA 59.849 59.849 55.959 3.890 RESID 132 (K): CB 35.253 35.253 33.508 1.744 RESID 132 (K): H 9.709 9.709 8.248 1.461 RESID 133 (A): N 134.349 134.349 127.248 7.101 RESID 133 (A): CA 51.065 51.065 54.751 -3.686 RESID 133 (A): CB 12.999 12.999 18.410 -5.410 RESID 133 (A): H 6.322 6.322 8.786 -2.464 RESID 134 (K): N 117.615 117.615 117.174 0.441 RESID 134 (K): C 176.859 176.859 177.631 -0.772 RESID 134 (K): CA 55.750 55.750 58.538 -2.788 RESID 134 (K): CB 54.579 54.579 32.368 22.211 RESID 134 (K): H 6.549 6.549 8.085 -1.536 RESID 135 (S): N 109.314 109.314 113.832 -4.518 RESID 135 (S): C 173.635 173.635 175.019 -1.384 RESID 135 (S): CA 56.336 56.336 59.853 -3.517 RESID 135 (S): CB 63.949 63.949 63.418 0.531 RESID 135 (S): H 7.840 7.840 7.559 0.281 RESID 136 (I): N 124.123 124.123 122.150 1.973 RESID 136 (I): C 175.100 175.100 176.100 -1.000 RESID 136 (I): CA 68.634 68.634 62.865 5.769 RESID 136 (I): CB 43.452 43.452 37.637 5.815 RESID 136 (I): H 8.098 8.098 7.295 0.803 RESID 137 (V): N 113.232 113.232 122.967 -9.735 RESID 137 (V): C 176.859 176.859 176.097 0.762 RESID 137 (V): CA 64.534 64.534 61.643 2.891 RESID 137 (V): CB 34.082 34.082 33.024 1.058 RESID 137 (V): H 7.711 7.711 8.034 -0.323 RESID 138 (F): N 118.279 118.279 123.208 -4.929 RESID 138 (F): C 175.393 175.393 176.302 -0.909 RESID 138 (F): CA 58.092 58.092 62.512 -4.420 RESID 138 (F): CB 39.353 39.353 39.242 0.111 RESID 138 (F): H 8.317 8.317 7.625 0.692 RESID 139 (H): N 120.605 120.605 115.755 4.850 RESID 139 (H): C 175.979 175.979 176.898 -0.919 RESID 139 (H): CA 67.775 67.775 59.055 8.720 RESID 139 (H): CB 35.836 35.836 29.000 6.835 RESID 139 (H): H 8.094 8.094 8.873 -0.779 RESID 140 (R): N 120.140 120.140 119.695 0.445 RESID 140 (R): C 178.023 178.023 178.946 -0.923 RESID 140 (R): CA 58.394 58.394 58.013 0.381 RESID 140 (R): CB 39.644 39.644 29.198 10.446 RESID 140 (R): H 8.149 8.149 7.090 1.059 RESID 141 (K): N 115.623 115.623 119.447 -3.824 RESID 141 (K): C 173.635 173.635 178.081 -4.446 RESID 141 (K): CA 58.092 58.092 58.730 -0.638 RESID 141 (K): CB 33.496 33.496 32.199 1.298 RESID 141 (K): H 7.449 7.449 7.365 0.084 RESID 142 (K): N 114.162 114.162 115.378 -1.216 RESID 142 (K): C 175.979 175.979 175.808 0.171 RESID 142 (K): CA 51.065 51.065 55.114 -4.049 RESID 142 (K): CB 34.668 34.668 31.988 2.680 RESID 142 (K): H 8.982 8.982 7.562 1.420 RESID 143 (N): N 112.103 112.103 116.050 -3.947 RESID 143 (N): C 175.100 175.100 174.066 1.034 RESID 143 (N): CA 53.407 53.407 54.177 -0.770 RESID 143 (N): CB 39.938 39.938 36.059 3.879 RESID 143 (N): H 7.402 7.402 7.838 -0.436 RESID 144 (L): N 118.810 118.810 116.812 1.998 RESID 144 (L): CA 53.993 53.993 53.331 0.662 RESID 144 (L): CB 42.866 42.866 44.095 -1.229 RESID 144 (L): H 7.793 7.793 7.935 -0.142 RESID 145 (Q): N 119.607 119.607 118.136 1.471 RESID 145 (Q): C 176.859 176.859 174.279 2.580 RESID 145 (Q): CA 55.164 55.164 53.802 1.362 RESID 145 (Q): CB 29.983 29.983 31.152 -1.169 RESID 145 (Q): H 7.014 7.014 8.176 -1.162 RESID 146 (Y): N 119.275 119.275 124.405 -5.130 RESID 146 (Y): C 174.807 174.807 174.279 0.528 RESID 146 (Y): CA 62.777 62.777 55.994 6.783 RESID 146 (Y): CB 41.109 41.109 40.677 0.432 RESID 146 (Y): H 9.350 9.350 8.143 1.207 RESID 147 (Y): N 123.658 123.658 125.331 -1.673 RESID 147 (Y): C 177.738 177.738 173.773 3.965 RESID 147 (Y): CA 58.092 58.092 56.276 1.816 RESID 147 (Y): CB 39.938 39.938 42.143 -2.205 RESID 147 (Y): H 8.340 8.340 8.663 -0.323 RESID 148 (D): N 121.267 121.267 123.695 -2.428 RESID 148 (D): C 176.859 176.859 175.470 1.389 RESID 148 (D): CA 54.579 54.579 54.420 0.159 RESID 148 (D): CB 41.109 41.109 41.634 -0.525 RESID 148 (D): H 8.911 8.911 8.423 0.488 RESID 149 (I): N 119.607 119.607 117.307 2.300 RESID 149 (I): C 174.807 174.807 174.209 0.598 RESID 149 (I): CA 61.020 61.020 59.115 1.905 RESID 149 (I): CB 39.353 39.353 42.703 -3.350 RESID 149 (I): H 8.712 8.712 8.593 0.119 RESID 150 (S): N 117.349 117.349 116.424 0.925 RESID 150 (S): C 175.686 175.686 174.496 1.190 RESID 150 (S): CA 60.435 60.435 55.501 4.934 RESID 150 (S): CB 62.192 62.192 65.381 -3.189 RESID 150 (S): H 8.454 8.454 8.454 -0.000 RESID 151 (A): N 131.162 131.162 131.290 -0.128 RESID 151 (A): C 160.742 160.742 179.456 -18.714 RESID 151 (A): CA 53.993 53.993 55.046 -1.053 RESID 151 (A): CB 22.369 22.369 18.723 3.646 RESID 151 (A): H 10.640 10.640 9.025 1.615 RESID 152 (K): N 121.400 121.400 115.971 5.429 RESID 152 (K): C 174.221 174.221 177.476 -3.255 RESID 152 (K): CA 59.849 59.849 58.926 0.923 RESID 152 (K): CB 34.668 34.668 32.759 1.909 RESID 152 (K): H 9.099 9.099 8.314 0.785 RESID 153 (S): N 135.212 135.212 109.392 25.820 RESID 153 (S): C 177.152 177.152 174.865 2.287 RESID 153 (S): CA 62.192 62.192 58.052 4.140 RESID 153 (S): CB 66.291 66.291 64.870 1.421 RESID 153 (S): H 8.935 8.935 7.849 1.086 RESID 154 (N): N 119.341 119.341 117.361 1.980 RESID 154 (N): C 175.979 175.979 173.938 2.041 RESID 154 (N): CA 49.894 49.894 54.457 -4.563 RESID 154 (N): CB 39.353 39.353 37.168 2.185 RESID 154 (N): H 7.488 7.488 8.419 -0.931 RESID 155 (Y): N 120.074 120.074 122.479 -2.405 RESID 155 (Y): C 177.144 177.144 175.327 1.817 RESID 155 (Y): CA 60.738 60.738 59.936 0.802 RESID 155 (Y): CB 41.402 41.402 38.613 2.789 RESID 155 (Y): H 7.945 7.945 7.548 0.397 RESID 156 (N): N 124.058 124.058 122.827 1.231 RESID 156 (N): C 175.679 175.679 176.379 -0.700 RESID 156 (N): CA 53.121 53.121 54.572 -1.451 RESID 156 (N): CB 38.179 38.179 35.727 2.452 RESID 156 (N): H 8.192 8.192 8.839 -0.647 RESID 157 (F): N 123.459 123.459 117.263 6.196 RESID 157 (F): C 174.221 174.221 176.655 -2.434 RESID 157 (F): CA 57.507 57.507 60.930 -3.423 RESID 157 (F): CB 39.353 39.353 38.382 0.972 RESID 157 (F): H 7.429 7.429 8.010 -0.581 RESID 158 (E): N 112.568 112.568 117.806 -5.238 RESID 158 (E): C 176.566 176.566 177.881 -1.315 RESID 158 (E): CA 72.147 72.147 57.041 15.106 RESID 158 (E): CB 27.640 27.640 28.367 -0.727 RESID 158 (E): H 7.495 7.495 7.967 -0.472 RESID 159 (K): N 113.232 113.232 119.675 -6.443 RESID 159 (K): C 176.566 176.566 175.844 0.722 RESID 159 (K): CA 53.993 53.993 61.481 -7.488 RESID 159 (K): CB 33.496 33.496 30.048 3.448 RESID 159 (K): H 6.862 6.862 7.354 -0.492 RESID 160 (P): C 176.273 176.273 178.576 -2.303 RESID 160 (P): CA 64.258 64.258 65.516 -1.258 RESID 160 (P): CB 32.318 32.318 31.056 1.262 RESID 161 (F): N 123.726 123.726 116.873 6.853 RESID 161 (F): C 176.851 176.851 177.619 -0.768 RESID 161 (F): CA 60.445 60.445 61.818 -1.373 RESID 161 (F): CB 40.816 40.816 37.700 3.116 RESID 161 (F): H 8.215 8.215 7.243 0.972 RESID 162 (L): N 110.177 110.177 119.240 -9.063 RESID 162 (L): C 176.273 176.273 178.766 -2.493 RESID 162 (L): CA 55.750 55.750 57.939 -2.189 RESID 162 (L): CB 44.037 44.037 41.460 2.577 RESID 162 (L): H 7.527 7.527 7.722 -0.195 RESID 163 (W): N 123.525 123.525 121.184 2.341 RESID 163 (W): C 177.152 177.152 178.193 -1.041 RESID 163 (W): CA 61.606 61.606 61.189 0.417 RESID 163 (W): CB 28.811 28.811 29.897 -1.086 RESID 163 (W): H 7.476 7.476 8.341 -0.866 RESID 164 (L): N 119.740 119.740 118.733 1.007 RESID 164 (L): C 175.686 175.686 178.818 -3.132 RESID 164 (L): CA 61.020 61.020 57.807 3.213 RESID 164 (L): CB 45.794 45.794 41.398 4.396 RESID 164 (L): H 9.412 9.412 8.038 1.374 RESID 165 (A): N 118.013 118.013 121.536 -3.523 RESID 165 (A): C 165.723 165.723 179.539 -13.816 RESID 165 (A): CA 52.236 52.236 55.241 -3.005 RESID 165 (A): CB 21.784 21.784 18.115 3.669 RESID 165 (A): H 7.707 7.707 8.310 -0.604 RESID 166 (R): N 122.994 122.994 118.401 4.593 RESID 166 (R): C 175.979 175.979 179.145 -3.166 RESID 166 (R): CA 49.308 49.308 59.331 -10.023 RESID 166 (R): CB 29.397 29.397 29.900 -0.503 RESID 166 (R): H 8.692 8.692 7.874 0.818 RESID 167 (K): N 112.568 112.568 119.756 -7.188 RESID 167 (K): C 176.273 176.273 179.440 -3.167 RESID 167 (K): CA 58.092 58.092 59.164 -1.072 RESID 167 (K): CB 34.668 34.668 32.280 2.388 RESID 167 (K): H 6.819 6.819 7.505 -0.686 RESID 168 (L): N 114.959 114.959 119.784 -4.825 RESID 168 (L): C 177.738 177.738 178.996 -1.258 RESID 168 (L): CA 56.921 56.921 57.553 -0.632 RESID 168 (L): CB 41.695 41.695 41.664 0.031 RESID 168 (L): H 7.269 7.269 7.917 -0.648 RESID 169 (I): N 122.199 122.199 115.886 6.313 RESID 169 (I): C 177.445 177.445 177.178 0.267 RESID 169 (I): CA 63.375 63.375 63.219 0.156 RESID 169 (I): CB 42.281 42.281 38.663 3.618 RESID 169 (I): H 8.360 8.360 8.114 0.246 RESID 170 (G): N 113.099 113.099 106.508 6.591 RESID 170 (G): C 162.496 162.496 173.737 -11.241 RESID 170 (G): CA 44.037 44.037 44.861 -0.825 RESID 170 (G): H 6.686 6.686 7.977 -1.291 RESID 171 (D): N 113.232 113.232 121.437 -8.205 RESID 171 (D): C 178.910 178.910 175.847 3.063 RESID 171 (D): CA 50.479 50.479 50.498 -0.019 RESID 171 (D): CB 41.109 41.109 42.323 -1.214 RESID 171 (D): H 6.815 6.815 7.531 -0.716 RESID 172 (P): C 176.566 176.566 177.032 -0.466 RESID 172 (P): CA 63.965 63.965 64.055 -0.090 RESID 172 (P): CB 31.732 31.732 32.081 -0.349 RESID 173 (N): N 109.779 109.779 116.336 -6.557 RESID 173 (N): C 175.979 175.979 175.636 0.343 RESID 173 (N): CA 54.579 54.579 53.092 1.487 RESID 173 (N): CB 36.424 36.424 39.319 -2.895 RESID 173 (N): H 8.016 8.016 8.367 -0.351 RESID 174 (L): N 109.248 109.248 122.001 -12.753 RESID 174 (L): C 176.566 176.566 175.721 0.845 RESID 174 (L): CA 56.336 56.336 55.925 0.411 RESID 174 (L): CB 44.037 44.037 42.276 1.761 RESID 174 (L): H 7.871 7.871 7.344 0.527 RESID 175 (E): N 125.185 125.185 122.876 2.309 RESID 175 (E): C 177.445 177.445 174.766 2.679 RESID 175 (E): CA 76.247 76.247 54.316 21.931 RESID 175 (E): CB 28.811 28.811 33.869 -5.058 RESID 175 (E): H 9.127 9.127 8.192 0.935 RESID 176 (F): N 136.873 136.873 124.144 12.729 RESID 176 (F): C 178.617 178.617 175.102 3.515 RESID 176 (F): CA 59.264 59.264 58.227 1.038 RESID 176 (F): CB 44.623 44.623 40.026 4.598 RESID 176 (F): H 10.058 10.058 8.724 1.334 RESID 177 (V): N 118.877 118.877 127.294 -8.417 RESID 177 (V): C 177.445 177.445 174.656 2.789 RESID 177 (V): CA 62.777 62.777 60.075 2.702 RESID 177 (V): CB 34.668 34.668 34.424 0.244 RESID 177 (V): H 7.789 7.789 7.902 -0.113 RESID 178 (A): N 123.859 123.859 126.326 -2.467 RESID 178 (A): C 177.144 177.144 177.693 -0.549 RESID 178 (A): CA 54.000 54.000 54.066 -0.066 RESID 178 (A): CB 15.035 15.035 18.959 -3.924 RESID 178 (A): H 7.683 7.683 8.162 -0.479 RESID 179 (M): N 121.668 121.668 116.798 4.870 RESID 179 (M): C 177.144 177.144 173.108 4.036 RESID 179 (M): CA 60.445 60.445 54.474 5.971 RESID 179 (M): CB 39.351 39.351 32.473 6.878 RESID 179 (M): H 7.648 7.648 7.471 0.177 RESID 180 (P): C 177.445 177.445 175.609 1.836 RESID 180 (P): CA 64.844 64.844 62.892 1.952 RESID 180 (P): CB 29.974 29.974 32.049 -2.075 RESID 181 (A): N 128.439 128.439 126.207 2.232 RESID 181 (A): C 176.273 176.273 177.484 -1.211 RESID 181 (A): CA 58.092 58.092 52.002 6.090 RESID 181 (A): CB 21.198 21.198 19.444 1.754 RESID 181 (A): H 8.673 8.673 8.209 0.464 RESID 182 (L): N 122.130 122.130 122.484 -0.354 RESID 182 (L): C 177.445 177.445 176.809 0.636 RESID 182 (L): CA 55.164 55.164 54.080 1.084 RESID 182 (L): CB 42.866 42.866 43.101 -0.235 RESID 182 (L): H 8.821 8.821 8.275 0.546 RESID 183 (A): N 121.004 121.004 126.681 -5.677 RESID 183 (A): C 178.617 178.617 176.098 2.519 RESID 183 (A): CA 57.808 57.808 50.529 7.279 RESID 183 (A): CB 24.117 24.117 18.446 5.671 RESID 183 (A): H 8.356 8.356 8.163 0.193 RESID 184 (P): C 177.152 177.152 175.090 2.062 RESID 184 (P): CA 64.258 64.258 61.980 2.278 RESID 184 (P): CB 29.681 29.681 31.627 -1.946 RESID 185 (P): C 175.686 175.686 177.158 -1.472 RESID 185 (P): CA 63.379 63.379 62.808 0.571 RESID 185 (P): CB 35.248 35.248 32.421 2.827 RESID 186 (E): N 120.539 120.539 120.805 -0.266 RESID 186 (E): C 176.273 176.273 176.179 0.094 RESID 186 (E): CA 58.101 58.101 57.402 0.699 RESID 186 (E): CB 35.836 35.836 29.785 6.051 RESID 186 (E): H 8.086 8.086 8.509 -0.423 RESID 187 (V): N 124.455 124.455 117.964 6.491 RESID 187 (V): C 178.910 178.910 175.243 3.667 RESID 187 (V): CA 63.363 63.363 62.754 0.609 RESID 187 (V): CB 34.082 34.082 31.501 2.581 RESID 187 (V): H 8.622 8.622 7.863 0.759 RESID 188 (V): N 128.572 128.572 125.557 3.015 RESID 188 (V): C 178.324 178.324 176.695 1.629 RESID 188 (V): CA 68.634 68.634 62.518 6.116 RESID 188 (V): CB 31.154 31.154 32.175 -1.021 RESID 188 (V): H 8.497 8.497 7.943 0.554 RESID 189 (M): N 122.795 122.795 118.863 3.932 RESID 189 (M): C 177.445 177.445 176.039 1.406 RESID 189 (M): CA 55.164 55.164 57.534 -2.370 RESID 189 (M): CB 35.253 35.253 32.324 2.929 RESID 189 (M): H 6.991 6.991 7.985 -0.994 RESID 190 (D): N 114.959 114.959 112.535 2.424 RESID 190 (D): C 175.686 175.686 175.376 0.310 RESID 190 (D): CA 51.065 51.065 54.963 -3.898 RESID 190 (D): CB 41.695 41.695 38.325 3.370 RESID 190 (D): H 7.210 7.210 8.468 -1.258 RESID 191 (P): C 176.566 176.566 177.981 -1.415 RESID 191 (P): CA 63.965 63.965 64.857 -0.892 RESID 191 (P): CB 31.146 31.146 31.490 -0.344 RESID 192 (A): N 109.513 109.513 120.754 -11.241 RESID 192 (A): CA 53.993 53.993 54.313 -0.320 RESID 192 (A): CB 19.441 19.441 18.212 1.229 RESID 192 (A): H 7.394 7.394 7.958 -0.564 RESID 193 (L): N 119.009 119.009 117.540 1.469 RESID 193 (L): C 175.979 175.979 177.085 -1.106 RESID 193 (L): CA 56.336 56.336 55.757 0.579 RESID 193 (L): CB 42.866 42.866 42.000 0.866 RESID 193 (L): H 8.340 8.340 7.835 0.505 RESID 194 (A): N 121.666 121.666 119.765 1.901 RESID 194 (A): C 166.896 166.896 178.001 -11.105 RESID 194 (A): CA 55.164 55.164 52.870 2.294 RESID 194 (A): CB 16.513 16.513 19.139 -2.626 RESID 194 (A): H 8.176 8.176 7.590 0.586 RESID 195 (A): N 119.541 119.541 120.602 -1.061 RESID 195 (A): C 173.928 173.928 179.207 -5.279 RESID 195 (A): CA 57.507 57.507 54.357 3.150 RESID 195 (A): CB 19.441 19.441 17.210 2.231 RESID 195 (A): H 8.364 8.364 8.682 -0.318 RESID 196 (Q): N 107.322 107.322 119.141 -11.819 RESID 196 (Q): C 176.273 176.273 178.168 -1.895 RESID 196 (Q): CA 56.921 56.921 58.652 -1.731 RESID 196 (Q): CB 29.983 29.983 28.847 1.136 RESID 196 (Q): H 7.910 7.910 7.805 0.105 RESID 197 (Y): N 119.277 119.277 117.708 1.569 RESID 197 (Y): C 178.316 178.316 178.176 0.140 RESID 197 (Y): CA 56.343 56.343 60.365 -4.022 RESID 197 (Y): CB 43.453 43.453 37.620 5.833 RESID 197 (Y): H 8.180 8.180 8.177 0.003 RESID 198 (E): N 110.244 110.244 118.487 -8.243 RESID 198 (E): C 176.273 176.273 178.415 -2.142 RESID 198 (E): CA 53.407 53.407 59.395 -5.988 RESID 198 (E): CB 30.568 30.568 29.276 1.292 RESID 198 (E): H 7.523 7.523 8.067 -0.544 RESID 199 (H): N 119.211 119.211 118.985 0.226 RESID 199 (H): C 178.902 178.902 177.299 1.603 RESID 199 (H): CA 58.687 58.687 60.186 -1.499 RESID 199 (H): CB 34.957 34.957 29.709 5.248 RESID 199 (H): H 8.258 8.258 7.673 0.585 RESID 200 (D): N 124.722 124.722 119.576 5.146 RESID 200 (D): C 176.705 176.705 178.644 -1.939 RESID 200 (D): CA 58.687 58.687 57.138 1.550 RESID 200 (D): CB 39.644 39.644 40.472 -0.828 RESID 200 (D): H 8.086 8.086 7.770 0.316 RESID 201 (L): N 116.353 116.353 120.448 -4.095 RESID 201 (L): C 178.910 178.910 179.102 -0.192 RESID 201 (L): CA 61.606 61.606 58.258 3.348 RESID 201 (L): CB 41.109 41.109 41.704 -0.595 RESID 201 (L): H 7.722 7.722 8.146 -0.424 RESID 202 (E): N 118.080 118.080 119.099 -1.019 RESID 202 (E): C 176.566 176.566 179.337 -2.771 RESID 202 (E): CA 56.921 56.921 59.045 -2.124 RESID 202 (E): CB 30.568 30.568 29.099 1.469 RESID 202 (E): H 8.857 8.857 7.988 0.869 RESID 203 (V): N 129.369 129.369 120.276 9.093 RESID 203 (V): C 178.617 178.617 177.917 0.700 RESID 203 (V): CA 64.534 64.534 66.582 -2.048 RESID 203 (V): CB 27.640 27.640 31.201 -3.561 RESID 203 (V): H 9.283 9.283 7.436 1.847 RESID 204 (A): N 109.580 109.580 121.777 -12.197 RESID 204 (A): C 176.859 176.859 178.888 -2.029 RESID 204 (A): CA 54.579 54.579 54.975 -0.397 RESID 204 (A): CB 18.270 18.270 18.538 -0.268 RESID 204 (A): H 8.528 8.528 7.817 0.711 RESID 205 (Q): N 123.328 123.328 116.642 6.686 RESID 205 (Q): C 177.418 177.418 177.912 -0.494 RESID 205 (Q): CA 57.515 57.515 58.051 -0.536 RESID 205 (Q): CB 33.785 33.785 29.104 4.681 RESID 205 (Q): H 8.160 8.160 7.937 0.223 RESID 206 (T): N 120.271 120.271 113.725 6.546 RESID 206 (T): C 176.273 176.273 175.316 0.957 RESID 206 (T): CA 67.462 67.462 64.668 2.794 RESID 206 (T): CB 70.390 70.390 69.191 1.199 RESID 206 (T): H 7.585 7.585 7.783 -0.198 RESID 207 (T): N 111.970 111.970 119.418 -7.448 RESID 207 (T): C 176.566 176.566 173.303 3.263 RESID 207 (T): CA 64.534 64.534 64.282 0.252 RESID 207 (T): CB 72.733 72.733 69.311 3.422 RESID 207 (T): H 7.468 7.468 7.763 -0.295 RESID 208 (A): N 115.623 115.623 127.656 -12.033 RESID 208 (A): C 168.947 168.947 176.733 -7.786 RESID 208 (A): CA 55.164 55.164 50.754 4.410 RESID 208 (A): CB 22.369 22.369 20.835 1.534 RESID 208 (A): H 7.390 7.390 8.035 -0.645 RESID 209 (L): N 117.814 117.814 121.655 -3.841 RESID 209 (L): C 176.273 176.273 175.608 0.665 RESID 209 (L): CA 58.678 58.678 53.395 5.282 RESID 209 (L): CB 46.380 46.380 41.904 4.476 RESID 209 (L): H 7.652 7.652 8.454 -0.802 RESID 210 (P): C 176.566 176.566 175.396 1.170 RESID 210 (P): CA 63.086 63.086 62.595 0.491 RESID 210 (P): CB 31.146 31.146 30.842 0.304 RESID 211 (D): N 122.863 122.863 124.412 -1.549 RESID 211 (D): C 175.686 175.686 175.805 -0.119 RESID 211 (D): CA 56.343 56.343 52.834 3.509 RESID 211 (D): CB 41.402 41.402 41.478 -0.076 RESID 211 (D): H 8.360 8.360 7.921 0.439 RESID 212 (E): N 131.162 131.162 126.291 4.871 RESID 212 (E): C 176.273 176.273 176.691 -0.418 RESID 212 (E): CA 55.164 55.164 57.192 -2.028 RESID 212 (E): CB 30.568 30.568 31.370 -0.802 RESID 212 (E): H 8.399 8.399 8.360 0.039 RESID 213 (D): N 122.797 122.797 118.740 4.057 RESID 213 (D): C 177.152 177.152 175.802 1.350 RESID 213 (D): CA 61.914 61.914 53.525 8.389 RESID 213 (D): CB 49.607 49.607 41.843 7.764 RESID 213 (D): H 8.168 8.168 8.185 -0.017 RESID 214 (D): N 112.369 112.369 121.043 -8.674 RESID 214 (D): C 178.910 178.910 177.457 1.453 RESID 214 (D): CA 54.579 54.579 56.723 -2.144 RESID 214 (D): CB 39.353 39.353 40.752 -1.399 RESID 214 (D): H 7.464 7.464 8.117 -0.653 RESID 215 (D): N 127.244 127.244 119.036 8.208 RESID 215 (D): C 176.859 176.859 177.159 -0.300 RESID 215 (D): CA 54.579 54.579 55.190 -0.611 RESID 215 (D): CB 40.524 40.524 40.832 -0.308 RESID 215 (D): H 8.301 8.301 8.383 -0.082 N HA C CA CB H RESID 3 (A): 3.834 ----- -2.547 -4.394 0.375 0.335 RESID 4 (Q): 0.877 ----- -0.546 -2.026 -2.074 0.762 RESID 5 (G): 15.765 ----- 8.139 1.046 ----- -0.057 RESID 6 (E): 8.156 ----- 1.708 2.900 -0.882 1.461 RESID 7 (P): ----- ----- -0.297 -1.471 -0.971 ----- RESID 8 (Q): -1.404 ----- 1.946 -5.654 -2.735 -1.977 RESID 9 (V): -1.201 ----- 4.504 2.699 -0.119 -1.192 RESID 10 (Q): -9.213 ----- 1.909 1.410 -3.993 -0.122 RESID 11 (F): -5.671 ----- 1.695 3.347 -1.343 -0.826 RESID 12 (K): 3.291 ----- 3.734 1.858 ----- 1.140 RESID 13 (L): -17.500 ----- 3.094 1.050 -3.316 -2.054 RESID 14 (V): 0.604 ----- 1.200 9.199 -4.601 -0.427 RESID 15 (L): -2.351 ----- 2.621 2.478 ----- -1.220 RESID 16 (V): -0.344 ----- 4.047 4.691 0.628 0.063 RESID 17 (G): 21.114 ----- 1.928 -2.250 ----- 2.890 RESID 18 (D): 4.246 ----- -0.740 2.912 4.087 0.002 RESID 19 (G): 13.614 ----- 3.182 -3.514 ----- 0.154 RESID 20 (G): 16.764 ----- -1.552 -3.905 ----- -0.141 RESID 21 (T): 8.044 ----- -3.815 -2.687 -4.135 0.395 RESID 22 (G): 4.051 ----- 9.337 0.144 ----- -1.558 RESID 23 (K): 1.482 ----- 0.364 -1.764 7.828 -0.150 RESID 24 (T): 0.569 ----- 1.528 -4.936 3.413 -0.036 RESID 25 (T): -8.923 ----- 2.207 -2.279 3.138 0.288 RESID 26 (F): -8.225 ----- -2.412 -8.497 1.348 -0.744 RESID 27 (V): 3.567 ----- 0.145 0.276 -2.118 -1.296 RESID 28 (K): -5.300 ----- -2.031 -1.757 2.185 -0.748 RESID 29 (R): -7.698 ----- -4.754 13.201 7.885 -1.129 RESID 30 (H): 5.133 ----- -4.688 -7.430 0.846 0.154 RESID 31 (L): -6.757 ----- -0.461 -2.053 0.016 -0.174 RESID 32 (T): 15.259 ----- -4.883 1.839 4.941 0.114 RESID 33 (G): 17.840 ----- -12.252 -1.887 ----- 1.913 RESID 34 (E): 0.803 ----- -0.296 2.069 3.715 0.787 RESID 35 (F): -7.782 ----- -1.093 -7.650 1.072 -1.681 RESID 36 (E): -4.791 ----- -0.775 3.734 18.587 -0.344 RESID 37 (K): -7.610 ----- -4.714 -8.974 4.336 0.044 RESID 38 (K): -12.290 ----- 0.267 3.739 1.858 0.001 RESID 39 (Y): -14.504 ----- -0.117 2.859 -2.513 -1.215 RESID 40 (V): -9.330 ----- 0.107 -0.151 -2.855 0.091 RESID 42 (T): -0.209 ----- 5.189 -2.236 0.757 -0.167 RESID 43 (L): -8.603 ----- -2.922 3.251 0.174 0.749 RESID 44 (G): 0.357 ----- 6.228 8.463 ----- -1.677 RESID 45 (V): -13.764 ----- 0.233 3.432 -17.716 0.139 RESID 46 (E): 1.602 ----- 2.465 1.505 0.308 0.825 RESID 47 (V): 0.071 ----- -0.143 2.180 4.917 0.022 RESID 48 (H): 1.932 ----- -3.877 -3.588 -4.544 1.215 RESID 49 (P): ----- ----- 0.634 -0.085 -2.310 ----- RESID 50 (L): -8.097 ----- 2.902 4.665 -3.309 -1.537 RESID 51 (V): -8.311 ----- -1.041 3.396 3.352 -0.397 RESID 52 (F): -1.457 ----- 0.946 -0.469 -3.479 -0.349 RESID 53 (H): -2.314 ----- -4.143 -0.168 -1.450 -1.113 RESID 54 (T): -6.194 ----- 2.715 3.883 0.811 -0.509 RESID 55 (N): 11.291 ----- -0.515 -4.864 -1.299 1.509 RESID 56 (R): 3.087 ----- -0.736 5.891 2.535 -0.248 RESID 57 (G): 19.463 ----- 4.470 -1.742 ----- 1.818 RESID 58 (P): ----- ----- 0.986 2.452 -3.147 ----- RESID 59 (I): 13.614 ----- 2.085 5.911 -1.755 -0.158 RESID 60 (K): 3.487 ----- 4.126 19.880 -3.893 -0.619 RESID 61 (F): -3.963 ----- 0.432 0.677 -0.102 -1.982 RESID 62 (N): 0.986 ----- -1.326 0.566 2.179 -1.013 RESID 63 (V): -21.003 ----- -0.334 -2.034 -1.657 -0.826 RESID 64 (W): -0.745 ----- 1.973 3.446 -0.352 -0.673 RESID 65 (D): -6.504 ----- -1.278 1.943 -1.909 -0.438 RESID 66 (T): 4.672 ----- 4.918 8.431 0.251 -0.149 RESID 67 (A): -17.537 ----- -0.520 -2.907 -5.934 0.721 RESID 68 (G): 5.332 ----- 13.461 -0.905 ----- 2.009 RESID 69 (Q): 2.816 ----- -1.813 0.958 2.669 -0.178 RESID 70 (E): -5.555 ----- 0.641 1.018 -1.511 1.352 RESID 71 (K): -6.449 ----- -0.369 -7.378 4.109 0.437 RESID 72 (F): -5.197 ----- -1.173 -2.299 -2.444 -0.035 RESID 73 (G): 4.688 ----- -6.430 -2.675 ----- -0.047 RESID 74 (G): 12.887 ----- -1.964 -2.324 ----- 0.670 RESID 75 (L): 5.529 ----- 0.374 -3.657 0.567 -0.155 RESID 76 (R): 0.019 ----- 0.064 3.007 1.415 -0.323 RESID 77 (D): 8.335 ----- -0.749 -4.712 1.315 1.407 RESID 78 (G): 19.884 ----- -2.424 -2.432 ----- -0.287 RESID 79 (Y): 1.200 ----- -1.352 -0.425 2.534 1.163 RESID 80 (Y): 3.665 ----- 0.205 2.890 2.547 0.650 RESID 81 (I): -0.347 ----- 1.510 4.002 3.218 0.725 RESID 82 (Q): 1.915 ----- -1.164 3.465 4.963 -0.822 RESID 83 (A): -10.202 ----- -1.023 2.035 -2.790 -1.099 RESID 84 (Q): 1.894 ----- 1.116 4.044 3.854 -0.557 RESID 85 (C): 8.727 ----- 3.885 9.093 8.225 0.697 RESID 86 (A): -7.159 ----- ----- 6.506 -1.113 -1.777 RESID 87 (I): 0.310 ----- -0.698 1.020 -1.428 -0.338 RESID 88 (I): -7.007 ----- -1.289 4.417 -2.523 -3.410 RESID 89 (M): -5.606 ----- 3.537 4.661 -0.138 -0.540 RESID 90 (F): 2.439 ----- 2.392 5.075 -3.348 0.610 RESID 91 (D): -0.404 ----- -0.342 7.514 1.281 -1.355 RESID 92 (V): -8.414 ----- -3.228 -0.423 6.226 -0.825 RESID 93 (T): 16.981 ----- 4.193 1.351 5.087 -0.578 RESID 94 (S): 5.762 ----- -10.875 4.264 -1.949 -0.316 RESID 95 (R): -15.029 ----- -1.656 -6.191 1.039 -0.908 RESID 96 (V): 5.551 ----- 0.294 2.237 -7.233 0.966 RESID 97 (T): -4.088 ----- 2.057 -2.405 1.382 0.400 RESID 98 (Y): -7.890 ----- -1.200 ----- ----- -0.069 RESID 99 (K): 5.156 ----- -0.040 -0.675 4.114 0.302 RESID 100 (N): -4.023 ----- -0.722 -1.579 -1.162 -1.855 RESID 101 (V): -2.697 ----- -1.451 -5.705 -2.061 -0.312 RESID 102 (P): ----- ----- -0.416 -2.701 -0.002 ----- RESID 103 (N): 6.147 ----- -1.824 -0.188 1.516 0.436 RESID 104 (W): 2.539 ----- -3.323 -1.229 5.195 0.264 RESID 105 (H): 3.742 ----- 3.272 ----- ----- -1.437 RESID 106 (R): 2.982 ----- 0.293 5.234 -1.729 -0.359 RESID 107 (D): -2.547 ----- -1.867 -2.491 0.692 1.186 RESID 108 (L): -6.028 ----- -2.120 1.009 7.336 -1.145 RESID 109 (V): 7.464 ----- -2.818 -0.632 1.948 1.072 RESID 110 (R): -7.425 ----- -1.401 -1.710 0.370 -0.611 RESID 111 (V): -1.975 ----- 0.537 -5.305 -0.048 -0.157 RESID 112 (C): -0.992 ----- -4.718 -1.521 6.719 -0.826 RESID 113 (E): -1.240 ----- 0.729 10.870 2.339 -0.819 RESID 114 (N): 7.230 ----- 0.337 -0.854 1.801 0.676 RESID 115 (I): -10.839 ----- 1.940 7.687 -0.488 1.502 RESID 116 (P): ----- ----- 0.424 -0.094 -2.543 ----- RESID 117 (I): -0.784 ----- -0.171 5.956 -3.457 -0.691 RESID 118 (V): -6.822 ----- 3.542 1.873 -2.858 0.200 RESID 119 (L): -7.417 ----- 1.910 -10.950 -4.835 -1.535 RESID 120 (C): -9.128 ----- 3.771 ----- ----- -0.824 RESID 121 (G): 4.324 ----- 3.716 -2.475 ----- -1.496 RESID 122 (N): -0.640 ----- 0.022 -2.199 -1.196 0.601 RESID 123 (K): 8.344 ----- -4.420 0.479 5.516 -0.907 RESID 124 (V): 10.716 ----- -0.930 0.061 11.126 1.033 RESID 125 (D): 0.262 ----- -0.043 -0.604 -0.575 -0.194 RESID 126 (I): -3.975 ----- 0.807 4.264 1.181 0.012 RESID 127 (K): -5.915 ----- -1.401 -1.120 3.066 -0.386 RESID 128 (D): -1.021 ----- 1.133 0.645 0.615 -1.154 RESID 129 (R): -3.369 ----- 1.020 -10.917 0.014 0.593 RESID 130 (K): -11.921 ----- -0.353 -1.091 2.565 -1.256 RESID 131 (V): -11.348 ----- 4.188 4.135 4.563 1.226 RESID 132 (K): -17.798 ----- -1.086 3.890 1.744 1.461 RESID 133 (A): 7.101 ----- ----- -3.686 -5.410 -2.464 RESID 134 (K): 0.441 ----- -0.772 -2.788 22.211 -1.536 RESID 135 (S): -4.518 ----- -1.384 -3.517 0.531 0.281 RESID 136 (I): 1.973 ----- -1.000 5.769 5.815 0.803 RESID 137 (V): -9.735 ----- 0.762 2.891 1.058 -0.323 RESID 138 (F): -4.929 ----- -0.909 -4.420 0.111 0.692 RESID 139 (H): 4.850 ----- -0.919 8.720 6.835 -0.779 RESID 140 (R): 0.445 ----- -0.923 0.381 10.446 1.059 RESID 141 (K): -3.824 ----- -4.446 -0.638 1.298 0.084 RESID 142 (K): -1.216 ----- 0.171 -4.049 2.680 1.420 RESID 143 (N): -3.947 ----- 1.034 -0.770 3.879 -0.436 RESID 144 (L): 1.998 ----- ----- 0.662 -1.229 -0.142 RESID 145 (Q): 1.471 ----- 2.580 1.362 -1.169 -1.162 RESID 146 (Y): -5.130 ----- 0.528 6.783 0.432 1.207 RESID 147 (Y): -1.673 ----- 3.965 1.816 -2.205 -0.323 RESID 148 (D): -2.428 ----- 1.389 0.159 -0.525 0.488 RESID 149 (I): 2.300 ----- 0.598 1.905 -3.350 0.119 RESID 150 (S): 0.925 ----- 1.190 4.934 -3.189 -0.000 RESID 151 (A): -0.128 ----- -18.714 -1.053 3.646 1.615 RESID 152 (K): 5.429 ----- -3.255 0.923 1.909 0.785 RESID 153 (S): 25.820 ----- 2.287 4.140 1.421 1.086 RESID 154 (N): 1.980 ----- 2.041 -4.563 2.185 -0.931 RESID 155 (Y): -2.405 ----- 1.817 0.802 2.789 0.397 RESID 156 (N): 1.231 ----- -0.700 -1.451 2.452 -0.647 RESID 157 (F): 6.196 ----- -2.434 -3.423 0.972 -0.581 RESID 158 (E): -5.238 ----- -1.315 15.106 -0.727 -0.472 RESID 159 (K): -6.443 ----- 0.722 -7.488 3.448 -0.492 RESID 160 (P): ----- ----- -2.303 -1.258 1.262 ----- RESID 161 (F): 6.853 ----- -0.768 -1.373 3.116 0.972 RESID 162 (L): -9.063 ----- -2.493 -2.189 2.577 -0.195 RESID 163 (W): 2.341 ----- -1.041 0.417 -1.086 -0.866 RESID 164 (L): 1.007 ----- -3.132 3.213 4.396 1.374 RESID 165 (A): -3.523 ----- -13.816 -3.005 3.669 -0.604 RESID 166 (R): 4.593 ----- -3.166 -10.023 -0.503 0.818 RESID 167 (K): -7.188 ----- -3.167 -1.072 2.388 -0.686 RESID 168 (L): -4.825 ----- -1.258 -0.632 0.031 -0.648 RESID 169 (I): 6.313 ----- 0.267 0.156 3.618 0.246 RESID 170 (G): 6.591 ----- -11.241 -0.825 ----- -1.291 RESID 171 (D): -8.205 ----- 3.063 -0.019 -1.214 -0.716 RESID 172 (P): ----- ----- -0.466 -0.090 -0.349 ----- RESID 173 (N): -6.557 ----- 0.343 1.487 -2.895 -0.351 RESID 174 (L): -12.753 ----- 0.845 0.411 1.761 0.527 RESID 175 (E): 2.309 ----- 2.679 21.931 -5.058 0.935 RESID 176 (F): 12.729 ----- 3.515 1.038 4.598 1.334 RESID 177 (V): -8.417 ----- 2.789 2.702 0.244 -0.113 RESID 178 (A): -2.467 ----- -0.549 -0.066 -3.924 -0.479 RESID 179 (M): 4.870 ----- 4.036 5.971 6.878 0.177 RESID 180 (P): ----- ----- 1.836 1.952 -2.075 ----- RESID 181 (A): 2.232 ----- -1.211 6.090 1.754 0.464 RESID 182 (L): -0.354 ----- 0.636 1.084 -0.235 0.546 RESID 183 (A): -5.677 ----- 2.519 7.279 5.671 0.193 RESID 184 (P): ----- ----- 2.062 2.278 -1.946 ----- RESID 185 (P): ----- ----- -1.472 0.571 2.827 ----- RESID 186 (E): -0.266 ----- 0.094 0.699 6.051 -0.423 RESID 187 (V): 6.491 ----- 3.667 0.609 2.581 0.759 RESID 188 (V): 3.015 ----- 1.629 6.116 -1.021 0.554 RESID 189 (M): 3.932 ----- 1.406 -2.370 2.929 -0.994 RESID 190 (D): 2.424 ----- 0.310 -3.898 3.370 -1.258 RESID 191 (P): ----- ----- -1.415 -0.892 -0.344 ----- RESID 192 (A): -11.241 ----- ----- -0.320 1.229 -0.564 RESID 193 (L): 1.469 ----- -1.106 0.579 0.866 0.505 RESID 194 (A): 1.901 ----- -11.105 2.294 -2.626 0.586 RESID 195 (A): -1.061 ----- -5.279 3.150 2.231 -0.318 RESID 196 (Q): -11.819 ----- -1.895 -1.731 1.136 0.105 RESID 197 (Y): 1.569 ----- 0.140 -4.022 5.833 0.003 RESID 198 (E): -8.243 ----- -2.142 -5.988 1.292 -0.544 RESID 199 (H): 0.226 ----- 1.603 -1.499 5.248 0.585 RESID 200 (D): 5.146 ----- -1.939 1.550 -0.828 0.316 RESID 201 (L): -4.095 ----- -0.192 3.348 -0.595 -0.424 RESID 202 (E): -1.019 ----- -2.771 -2.124 1.469 0.869 RESID 203 (V): 9.093 ----- 0.700 -2.048 -3.561 1.847 RESID 204 (A): -12.197 ----- -2.029 -0.397 -0.268 0.711 RESID 205 (Q): 6.686 ----- -0.494 -0.536 4.681 0.223 RESID 206 (T): 6.546 ----- 0.957 2.794 1.199 -0.198 RESID 207 (T): -7.448 ----- 3.263 0.252 3.422 -0.295 RESID 208 (A): -12.033 ----- -7.786 4.410 1.534 -0.645 RESID 209 (L): -3.841 ----- 0.665 5.282 4.476 -0.802 RESID 210 (P): ----- ----- 1.170 0.491 0.304 ----- RESID 211 (D): -1.549 ----- -0.119 3.509 -0.076 0.439 RESID 212 (E): 4.871 ----- -0.418 -2.028 -0.802 0.039 RESID 213 (D): 4.057 ----- 1.350 8.389 7.764 -0.017 RESID 214 (D): -8.674 ----- 1.453 -2.144 -1.399 -0.653 RESID 215 (D): 8.208 ----- -0.300 -0.611 -0.308 -0.082 DATA CS_STAT_INFO N RMS: 7.688 ppm Count: 201 Average Difference: 0.382 +/- 7.697 ppm DATA CS_STAT_INFO HA RMS: 0.447 ppm Count: 28 Average Difference: -0.329 +/- 0.309 ppm DATA CS_STAT_INFO C RMS: 3.487 ppm Count: 209 Average Difference: 0.137 +/- 3.493 ppm DATA CS_STAT_INFO CA RMS: 4.553 ppm Count: 210 Average Difference: -0.665 +/- 4.515 ppm DATA CS_STAT_INFO CB RMS: 4.088 ppm Count: 194 Average Difference: -0.999 +/- 3.974 ppm DATA CS_STAT_INFO HN RMS: 0.944 ppm Count: 201 Average Difference: 0.076 +/- 0.943 ppm ############################################################################ For conformer 2: Atom Original Corrected SPARTA Difference RESID 2 (A): N 131.228 131.228 123.202 8.026 RESID 2 (A): C 187.031 187.031 179.146 7.885 RESID 2 (A): CA 53.407 53.407 54.953 -1.546 RESID 2 (A): CB 20.027 20.027 18.092 1.935 RESID 2 (A): H 10.644 10.644 8.367 2.277 RESID 3 (A): N 124.521 124.521 121.062 3.459 RESID 3 (A): C 176.566 176.566 179.329 -2.763 RESID 3 (A): CA 49.894 49.894 54.355 -4.461 RESID 3 (A): CB 18.270 18.270 18.283 -0.013 RESID 3 (A): H 8.669 8.669 7.976 0.693 RESID 4 (Q): N 118.080 118.080 116.911 1.169 RESID 4 (Q): C 176.273 176.273 177.058 -0.785 RESID 4 (Q): CA 54.579 54.579 56.648 -2.069 RESID 4 (Q): CB 27.054 27.054 29.298 -2.244 RESID 4 (Q): H 8.919 8.919 8.185 0.734 RESID 5 (G): N 121.002 121.002 105.800 15.202 RESID 5 (G): C 181.877 181.877 173.697 8.180 RESID 5 (G): CA 45.794 45.794 44.891 0.903 RESID 5 (G): H 8.082 8.082 7.999 0.083 RESID 6 (E): N 129.435 129.435 121.928 7.507 RESID 6 (E): C 176.566 176.566 175.426 1.140 RESID 6 (E): CA 56.336 56.336 52.963 3.373 RESID 6 (E): CB 28.811 28.811 30.546 -1.735 RESID 6 (E): H 9.267 9.267 7.842 1.425 RESID 7 (P): C 176.566 176.566 177.016 -0.450 RESID 7 (P): CA 63.672 63.672 65.039 -1.367 RESID 7 (P): CB 31.146 31.146 32.368 -1.222 RESID 8 (Q): N 112.502 112.502 114.432 -1.930 RESID 8 (Q): C 177.445 177.445 175.782 1.663 RESID 8 (Q): CA 50.479 50.479 56.001 -5.522 RESID 8 (Q): CB 28.811 28.811 31.385 -2.574 RESID 8 (Q): H 6.220 6.220 8.315 -2.095 RESID 9 (V): N 117.416 117.416 113.022 4.394 RESID 9 (V): C 178.324 178.324 173.916 4.408 RESID 9 (V): CA 63.363 63.363 59.259 4.104 RESID 9 (V): CB 34.668 34.668 34.743 -0.075 RESID 9 (V): H 6.561 6.561 7.715 -1.154 RESID 10 (Q): N 113.896 113.896 122.348 -8.452 RESID 10 (Q): C 176.273 176.273 174.586 1.687 RESID 10 (Q): CA 55.164 55.164 54.244 0.920 RESID 10 (Q): CB 28.226 28.226 32.154 -3.928 RESID 10 (Q): H 7.847 7.847 7.937 -0.090 RESID 11 (F): N 118.744 118.744 124.291 -5.547 RESID 11 (F): C 176.566 176.566 174.767 1.799 RESID 11 (F): CA 59.849 59.849 56.511 3.338 RESID 11 (F): CB 41.109 41.109 42.314 -1.205 RESID 11 (F): H 8.262 8.262 9.139 -0.877 RESID 12 (K): N 129.437 129.437 126.239 3.198 RESID 12 (K): C 178.609 178.609 174.842 3.767 RESID 12 (K): CA 57.808 57.808 55.895 1.913 RESID 12 (K): H 10.015 10.015 8.850 1.165 RESID 13 (L): N 112.103 112.103 129.788 -17.685 RESID 13 (L): C 177.738 177.738 174.570 3.168 RESID 13 (L): CA 54.579 54.579 53.473 1.106 RESID 13 (L): CB 42.866 42.866 45.852 -2.986 RESID 13 (L): H 6.905 6.905 8.957 -2.052 RESID 14 (V): N 127.310 127.310 127.587 -0.277 RESID 14 (V): C 175.393 175.393 174.499 0.894 RESID 14 (V): CA 70.976 70.976 61.661 9.315 RESID 14 (V): CB 28.811 28.811 33.636 -4.825 RESID 14 (V): H 8.305 8.305 8.780 -0.475 RESID 15 (L): N 128.640 128.640 130.059 -1.419 RESID 15 (L): C 177.730 177.730 176.140 1.590 RESID 15 (L): CA 55.758 55.758 54.088 1.670 RESID 15 (L): H 7.718 7.718 8.944 -1.226 RESID 16 (V): N 121.267 121.267 118.551 2.716 RESID 16 (V): C 178.324 178.324 174.408 3.916 RESID 16 (V): CA 63.363 63.363 58.644 4.719 RESID 16 (V): CB 35.839 35.839 35.285 0.554 RESID 16 (V): H 8.935 8.935 8.826 0.109 RESID 17 (G): N 127.908 127.908 107.009 20.899 RESID 17 (G): C 174.514 174.514 172.523 1.991 RESID 17 (G): CA 42.281 42.281 44.511 -2.229 RESID 17 (G): H 9.682 9.682 6.765 2.917 RESID 18 (D): N 125.054 125.054 120.585 4.469 RESID 18 (D): C 176.851 176.851 177.267 -0.416 RESID 18 (D): CA 57.515 57.515 54.515 3.000 RESID 18 (D): CB 46.090 46.090 42.101 3.989 RESID 18 (D): H 8.282 8.282 8.272 0.010 RESID 19 (G): N 120.670 120.670 107.283 13.387 RESID 19 (G): C 178.324 178.324 174.964 3.360 RESID 19 (G): CA 42.281 42.281 45.396 -3.115 RESID 19 (G): H 8.825 8.825 8.651 0.174 RESID 20 (G): N 129.369 129.369 111.506 17.863 RESID 20 (G): C 174.221 174.221 175.807 -1.586 RESID 20 (G): CA 41.695 41.695 45.349 -3.654 RESID 20 (G): H 8.477 8.477 8.622 -0.145 RESID 21 (T): N 122.199 122.199 114.043 8.156 RESID 21 (T): C 171.291 171.291 175.117 -3.826 RESID 21 (T): CA 61.914 61.914 64.622 -2.708 RESID 21 (T): CB 65.137 65.137 69.227 -4.090 RESID 21 (T): H 8.059 8.059 7.626 0.433 RESID 22 (G): N 112.369 112.369 108.137 4.232 RESID 22 (G): C 184.807 184.807 175.508 9.299 RESID 22 (G): CA 45.209 45.209 45.092 0.117 RESID 22 (G): H 6.772 6.772 8.306 -1.534 RESID 23 (K): N 122.066 122.066 120.551 1.515 RESID 23 (K): C 178.589 178.589 178.285 0.304 RESID 23 (K): CA 58.101 58.101 59.854 -1.753 RESID 23 (K): CB 40.230 40.230 32.416 7.814 RESID 23 (K): H 7.441 7.441 7.578 -0.137 RESID 24 (T): N 114.627 114.627 114.129 0.498 RESID 24 (T): C 178.324 178.324 176.804 1.520 RESID 24 (T): CA 62.192 62.192 67.173 -4.981 RESID 24 (T): CB 71.562 71.562 68.173 3.389 RESID 24 (T): H 8.469 8.469 8.523 -0.054 RESID 25 (T): N 110.377 110.377 119.292 -8.915 RESID 25 (T): C 178.324 178.324 176.135 2.189 RESID 25 (T): CA 64.534 64.534 66.771 -2.237 RESID 25 (T): CB 71.562 71.562 68.423 3.139 RESID 25 (T): H 8.415 8.415 8.127 0.288 RESID 26 (F): N 114.295 114.295 123.194 -8.899 RESID 26 (F): C 174.514 174.514 176.817 -2.303 RESID 26 (F): CA 53.407 53.407 61.852 -8.445 RESID 26 (F): CB 40.524 40.524 38.903 1.621 RESID 26 (F): H 7.707 7.707 8.477 -0.770 RESID 27 (V): N 123.525 123.525 119.849 3.676 RESID 27 (V): C 178.031 178.031 177.629 0.402 RESID 27 (V): CA 67.462 67.462 67.012 0.450 RESID 27 (V): CB 29.397 29.397 31.462 -2.065 RESID 27 (V): H 6.967 6.967 8.204 -1.237 RESID 28 (K): N 114.228 114.228 119.862 -5.634 RESID 28 (K): C 176.566 176.566 178.324 -1.758 RESID 28 (K): CA 58.092 58.092 59.645 -1.553 RESID 28 (K): CB 34.082 34.082 32.145 1.937 RESID 28 (K): H 7.429 7.429 8.127 -0.698 RESID 29 (R): N 112.037 112.037 119.382 -7.345 RESID 29 (R): C 174.221 174.221 179.068 -4.847 RESID 29 (R): CA 72.147 72.147 58.768 13.379 RESID 29 (R): CB 37.596 37.596 29.471 8.125 RESID 29 (R): H 6.803 6.803 7.872 -1.069 RESID 30 (H): N 122.396 122.396 117.139 5.257 RESID 30 (H): C 172.170 172.170 176.745 -4.575 RESID 30 (H): CA 51.651 51.651 59.292 -7.641 RESID 30 (H): CB 30.568 30.568 29.596 0.973 RESID 30 (H): H 7.644 7.644 7.424 0.220 RESID 31 (L): N 110.377 110.377 116.559 -6.182 RESID 31 (L): C 178.031 178.031 178.588 -0.557 RESID 31 (L): CA 55.164 55.164 57.164 -2.000 RESID 31 (L): CB 42.281 42.281 42.296 -0.015 RESID 31 (L): H 7.894 7.894 7.982 -0.088 RESID 32 (T): N 121.468 121.468 106.062 15.406 RESID 32 (T): C 170.705 170.705 175.529 -4.824 RESID 32 (T): CA 63.668 63.668 61.822 1.846 RESID 32 (T): CB 75.679 75.679 70.839 4.840 RESID 32 (T): H 8.372 8.372 8.243 0.129 RESID 33 (G): N 127.841 127.841 110.735 17.106 RESID 33 (G): C 161.914 161.914 173.904 -11.990 RESID 33 (G): CA 42.866 42.866 44.799 -1.933 RESID 33 (G): H 9.662 9.662 7.740 1.922 RESID 34 (E): N 120.871 120.871 120.731 0.140 RESID 34 (E): C 174.508 174.508 175.248 -0.740 RESID 34 (E): CA 58.101 58.101 55.889 2.212 RESID 34 (E): CB 34.371 34.371 30.671 3.700 RESID 34 (E): H 8.211 8.211 7.499 0.712 RESID 35 (F): N 111.838 111.838 119.576 -7.738 RESID 35 (F): C 174.221 174.221 175.468 -1.247 RESID 35 (F): CA 49.308 49.308 56.887 -7.579 RESID 35 (F): CB 41.695 41.695 40.597 1.098 RESID 35 (F): H 6.772 6.772 8.198 -1.426 RESID 36 (E): N 120.672 120.672 125.403 -4.731 RESID 36 (E): C 175.686 175.686 176.288 -0.602 RESID 36 (E): CA 58.980 58.980 55.489 3.491 RESID 36 (E): CB 48.140 48.140 29.973 18.167 RESID 36 (E): H 8.293 8.293 8.766 -0.473 RESID 37 (K): N 118.810 118.810 125.190 -6.380 RESID 37 (K): C 172.756 172.756 176.548 -3.792 RESID 37 (K): CA 48.137 48.137 56.228 -8.091 RESID 37 (K): CB 37.010 37.010 33.209 3.801 RESID 37 (K): H 8.509 8.509 8.599 -0.090 RESID 38 (K): N 108.052 108.052 120.953 -12.901 RESID 38 (K): C 176.273 176.273 175.371 0.902 RESID 38 (K): CA 59.849 59.849 55.726 4.123 RESID 38 (K): CB 34.668 34.668 33.278 1.391 RESID 38 (K): H 7.715 7.715 7.655 0.060 RESID 39 (Y): N 108.650 108.650 124.966 -16.316 RESID 39 (Y): C 175.686 175.686 175.707 -0.021 RESID 39 (Y): CA 61.020 61.020 58.306 2.713 RESID 39 (Y): CB 36.424 36.424 39.178 -2.754 RESID 39 (Y): H 7.362 7.362 8.701 -1.339 RESID 40 (V): N 117.947 117.947 127.118 -9.171 RESID 40 (V): C 175.393 175.393 175.297 0.096 RESID 40 (V): CA 61.020 61.020 61.175 -0.155 RESID 40 (V): CB 31.154 31.154 34.315 -3.161 RESID 40 (V): H 8.442 8.442 8.374 0.068 RESID 42 (T): N 117.150 117.150 117.986 -0.836 RESID 42 (T): C 178.910 178.910 173.955 4.955 RESID 42 (T): CA 60.435 60.435 62.964 -2.529 RESID 42 (T): CB 70.390 70.390 69.598 0.792 RESID 42 (T): H 8.192 8.192 8.387 -0.195 RESID 43 (L): N 119.209 119.209 128.049 -8.840 RESID 43 (L): C 174.807 174.807 178.021 -3.214 RESID 43 (L): CA 57.507 57.507 54.321 3.187 RESID 43 (L): CB 42.866 42.866 42.961 -0.095 RESID 43 (L): H 9.260 9.260 8.464 0.796 RESID 44 (G): N 114.361 114.361 113.214 1.147 RESID 44 (G): C 178.910 178.910 172.709 6.201 RESID 44 (G): CA 54.579 54.579 46.093 8.486 RESID 44 (G): H 6.979 6.979 8.674 -1.695 RESID 45 (V): N 110.244 110.244 123.858 -13.614 RESID 45 (V): C 174.807 174.807 174.454 0.353 RESID 45 (V): CA 63.363 63.363 59.997 3.366 RESID 45 (V): CB 17.099 17.099 35.074 -17.975 RESID 45 (V): H 8.309 8.309 8.184 0.125 RESID 46 (E): N 130.365 130.365 128.728 1.637 RESID 46 (E): C 176.859 176.859 174.405 2.454 RESID 46 (E): CA 55.164 55.164 54.712 0.452 RESID 46 (E): CB 32.325 32.325 32.310 0.015 RESID 46 (E): H 9.741 9.741 8.829 0.912 RESID 47 (V): N 125.254 125.254 124.704 0.550 RESID 47 (V): C 175.661 175.661 175.760 -0.099 RESID 47 (V): CA 63.375 63.375 61.151 2.224 RESID 47 (V): CB 37.300 37.300 32.409 4.891 RESID 47 (V): H 8.250 8.250 8.267 -0.017 RESID 48 (H): N 129.236 129.236 127.036 2.200 RESID 48 (H): C 169.240 169.240 172.940 -3.700 RESID 48 (H): CA 49.894 49.894 53.342 -3.448 RESID 48 (H): CB 27.640 27.640 32.120 -4.480 RESID 48 (H): H 10.390 10.390 9.147 1.243 RESID 49 (P): C 176.273 176.273 175.634 0.639 RESID 49 (P): CA 62.500 62.500 62.649 -0.149 RESID 49 (P): CB 29.974 29.974 32.344 -2.370 RESID 50 (L): N 119.408 119.408 127.700 -8.292 RESID 50 (L): C 177.445 177.445 174.509 2.936 RESID 50 (L): CA 59.264 59.264 54.429 4.835 RESID 50 (L): CB 42.281 42.281 45.663 -3.382 RESID 50 (L): H 7.492 7.492 9.124 -1.632 RESID 51 (V): N 117.947 117.947 126.612 -8.665 RESID 51 (V): C 174.514 174.514 175.559 -1.045 RESID 51 (V): CA 64.534 64.534 61.294 3.240 RESID 51 (V): CB 37.010 37.010 33.707 3.303 RESID 51 (V): H 7.715 7.715 8.146 -0.431 RESID 52 (F): N 124.853 124.853 126.201 -1.348 RESID 52 (F): C 175.100 175.100 174.471 0.629 RESID 52 (F): CA 56.336 56.336 55.760 0.576 RESID 52 (F): CB 39.938 39.938 43.684 -3.746 RESID 52 (F): H 8.935 8.935 9.257 -0.322 RESID 53 (H): N 120.603 120.603 123.307 -2.704 RESID 53 (H): C 170.119 170.119 174.451 -4.332 RESID 53 (H): CA 55.164 55.164 54.856 0.308 RESID 53 (H): CB 30.568 30.568 31.899 -1.331 RESID 53 (H): H 8.356 8.356 8.974 -0.618 RESID 54 (T): N 112.634 112.634 118.570 -5.936 RESID 54 (T): C 178.910 178.910 175.906 3.004 RESID 54 (T): CA 63.363 63.363 58.898 4.465 RESID 54 (T): CB 72.733 72.733 71.807 0.926 RESID 54 (T): H 7.574 7.574 8.175 -0.601 RESID 55 (N): N 131.095 131.095 119.461 11.634 RESID 55 (N): C 176.273 176.273 176.638 -0.365 RESID 55 (N): CA 51.065 51.065 55.812 -4.747 RESID 55 (N): CB 37.010 37.010 38.224 -1.214 RESID 55 (N): H 10.187 10.187 8.548 1.639 RESID 56 (R): N 122.064 122.064 118.233 3.831 RESID 56 (R): C 175.100 175.100 176.020 -0.920 RESID 56 (R): CA 61.606 61.606 55.751 5.855 RESID 56 (R): CB 32.911 32.911 30.501 2.410 RESID 56 (R): H 7.433 7.433 7.769 -0.336 RESID 57 (G): N 127.709 127.709 108.184 19.525 RESID 57 (G): C 175.979 175.979 172.166 3.813 RESID 57 (G): CA 42.281 42.281 44.230 -1.949 RESID 57 (G): H 9.373 9.373 7.560 1.813 RESID 58 (P): C 177.152 177.152 176.266 0.886 RESID 58 (P): CA 65.137 65.137 63.005 2.132 RESID 58 (P): CB 29.095 29.095 32.363 -3.268 RESID 59 (I): N 128.638 128.638 114.967 13.671 RESID 59 (I): C 175.979 175.979 173.843 2.136 RESID 59 (I): CA 65.120 65.120 59.347 5.773 RESID 59 (I): CB 40.524 40.524 42.203 -1.679 RESID 59 (I): H 8.794 8.794 9.010 -0.216 RESID 60 (K): N 127.711 127.711 124.291 3.420 RESID 60 (K): C 178.902 178.902 174.806 4.096 RESID 60 (K): CA 74.293 74.293 54.308 19.985 RESID 60 (K): CB 32.027 32.027 36.331 -4.304 RESID 60 (K): H 8.024 8.024 8.578 -0.554 RESID 61 (F): N 120.670 120.670 124.586 -3.916 RESID 61 (F): C 175.393 175.393 175.020 0.373 RESID 61 (F): CA 57.507 57.507 56.872 0.635 RESID 61 (F): CB 41.109 41.109 40.774 0.335 RESID 61 (F): H 7.515 7.515 9.447 -1.932 RESID 62 (N): N 124.789 124.789 123.889 0.900 RESID 62 (N): C 173.336 173.336 174.414 -1.078 RESID 62 (N): CA 53.121 53.121 52.118 1.003 RESID 62 (N): CB 41.695 41.695 39.059 2.636 RESID 62 (N): H 8.325 8.325 9.284 -0.959 RESID 63 (V): N 106.127 106.127 127.410 -21.283 RESID 63 (V): C 175.100 175.100 175.411 -0.311 RESID 63 (V): CA 61.020 61.020 63.053 -2.034 RESID 63 (V): CB 31.154 31.154 32.566 -1.412 RESID 63 (V): H 8.113 8.113 8.900 -0.787 RESID 64 (W): N 129.302 129.302 130.005 -0.703 RESID 64 (W): C 177.152 177.152 175.103 2.049 RESID 64 (W): CA 59.264 59.264 55.833 3.431 RESID 64 (W): CB 29.397 29.397 29.947 -0.550 RESID 64 (W): H 8.970 8.970 9.614 -0.644 RESID 65 (D): N 119.607 119.607 126.037 -6.430 RESID 65 (D): C 174.514 174.514 175.866 -1.352 RESID 65 (D): CA 55.164 55.164 53.059 2.105 RESID 65 (D): CB 41.109 41.109 43.208 -2.099 RESID 65 (D): H 8.638 8.638 9.109 -0.471 RESID 66 (T): N 122.463 122.463 117.793 4.670 RESID 66 (T): C 178.617 178.617 173.723 4.894 RESID 66 (T): CA 68.048 68.048 59.738 8.310 RESID 66 (T): CB 71.562 71.562 71.118 0.444 RESID 66 (T): H 8.293 8.293 8.431 -0.138 RESID 67 (A): N 104.865 104.865 122.599 -17.734 RESID 67 (A): C 177.738 177.738 178.040 -0.302 RESID 67 (A): CA 48.722 48.722 51.559 -2.837 RESID 67 (A): CB 14.171 14.171 20.321 -6.150 RESID 67 (A): H 8.657 8.657 7.755 0.902 RESID 68 (G): N 115.357 115.357 109.519 5.838 RESID 68 (G): C 189.533 189.533 176.110 13.423 RESID 68 (G): CA 45.209 45.209 46.140 -0.931 RESID 68 (G): H 10.969 10.969 8.914 2.055 RESID 69 (Q): N 122.730 122.730 119.800 2.930 RESID 69 (Q): C 174.508 174.508 176.441 -1.933 RESID 69 (Q): CA 58.394 58.394 57.425 0.969 RESID 69 (Q): CB 31.441 31.441 28.782 2.659 RESID 69 (Q): H 8.336 8.336 8.497 -0.161 RESID 70 (E): N 114.826 114.826 120.334 -5.508 RESID 70 (E): C 176.273 176.273 175.636 0.637 RESID 70 (E): CA 57.507 57.507 56.496 1.011 RESID 70 (E): CB 28.811 28.811 30.338 -1.527 RESID 70 (E): H 9.651 9.651 8.269 1.382 RESID 71 (K): N 116.685 116.685 123.244 -6.559 RESID 71 (K): C 175.979 175.979 176.095 -0.116 RESID 71 (K): CA 48.722 48.722 56.030 -7.308 RESID 71 (K): CB 37.010 37.010 32.961 4.049 RESID 71 (K): H 8.712 8.712 8.286 0.426 RESID 72 (F): N 114.959 114.959 119.222 -4.263 RESID 72 (F): C 175.686 175.686 176.765 -1.079 RESID 72 (F): CA 56.336 56.336 58.594 -2.258 RESID 72 (F): CB 36.424 36.424 38.784 -2.360 RESID 72 (F): H 7.965 7.965 7.892 0.073 RESID 73 (G): N 117.084 117.084 112.061 5.023 RESID 73 (G): C 168.068 168.068 174.380 -6.312 RESID 73 (G): CA 42.281 42.281 44.933 -2.652 RESID 73 (G): H 7.609 7.609 7.980 -0.371 RESID 74 (G): N 120.537 120.537 107.813 12.724 RESID 74 (G): C 174.514 174.514 176.578 -2.064 RESID 74 (G): CA 44.037 44.037 46.390 -2.353 RESID 74 (G): H 9.326 9.326 8.436 0.890 RESID 75 (L): N 127.177 127.177 117.748 9.429 RESID 75 (L): C 178.617 178.617 177.734 0.883 RESID 75 (L): CA 53.407 53.407 56.902 -3.495 RESID 75 (L): CB 42.281 42.281 41.383 0.898 RESID 75 (L): H 7.628 7.628 7.646 -0.018 RESID 76 (R): N 116.486 116.486 117.380 -0.894 RESID 76 (R): C 176.859 176.859 176.737 0.122 RESID 76 (R): CA 59.264 59.264 56.115 3.149 RESID 76 (R): CB 31.154 31.154 29.976 1.178 RESID 76 (R): H 7.143 7.143 7.446 -0.303 RESID 77 (D): N 129.236 129.236 120.986 8.250 RESID 77 (D): C 177.152 177.152 177.898 -0.746 RESID 77 (D): CA 52.822 52.822 57.597 -4.775 RESID 77 (D): CB 41.695 41.695 40.372 1.323 RESID 77 (D): H 8.947 8.947 7.589 1.358 RESID 78 (G): N 127.244 127.244 107.346 19.898 RESID 78 (G): C 173.928 173.928 176.058 -2.130 RESID 78 (G): CA 44.623 44.623 47.020 -2.397 RESID 78 (G): H 8.219 8.219 8.499 -0.280 RESID 79 (Y): N 120.537 120.537 118.665 1.872 RESID 79 (Y): C 176.273 176.273 177.085 -0.812 RESID 79 (Y): CA 58.678 58.678 59.633 -0.955 RESID 79 (Y): CB 40.524 40.524 38.169 2.355 RESID 79 (Y): H 8.563 8.563 7.325 1.238 RESID 80 (Y): N 122.132 122.132 117.227 4.905 RESID 80 (Y): C 175.979 175.979 175.914 0.065 RESID 80 (Y): CA 62.203 62.203 58.397 3.806 RESID 80 (Y): CB 41.988 41.988 40.147 1.841 RESID 80 (Y): H 8.254 8.254 7.587 0.667 RESID 81 (I): N 120.072 120.072 116.504 3.568 RESID 81 (I): C 177.445 177.445 175.660 1.785 RESID 81 (I): CA 67.462 67.462 62.706 4.756 RESID 81 (I): CB 41.109 41.109 37.897 3.212 RESID 81 (I): H 8.837 8.837 8.072 0.765 RESID 82 (Q): N 121.601 121.601 118.919 2.682 RESID 82 (Q): C 173.342 173.342 174.584 -1.242 RESID 82 (Q): CA 59.859 59.859 56.983 2.876 RESID 82 (Q): CB 30.855 30.855 25.835 5.020 RESID 82 (Q): H 8.184 8.184 8.935 -0.751 RESID 83 (A): N 109.713 109.713 120.084 -10.371 RESID 83 (A): C 175.979 175.979 176.750 -0.771 RESID 83 (A): CA 54.579 54.579 52.453 2.126 RESID 83 (A): CB 16.513 16.513 19.211 -2.698 RESID 83 (A): H 6.306 6.306 7.365 -1.059 RESID 84 (Q): N 121.203 121.203 121.096 0.107 RESID 84 (Q): C 177.144 177.144 176.165 0.979 RESID 84 (Q): CA 60.152 60.152 57.001 3.151 RESID 84 (Q): CB 34.957 34.957 31.095 3.862 RESID 84 (Q): H 8.180 8.180 8.531 -0.351 RESID 85 (C): N 120.605 120.605 111.531 9.074 RESID 85 (C): C 176.566 176.566 172.751 3.815 RESID 85 (C): CA 65.430 65.430 56.308 9.122 RESID 85 (C): CB 39.644 39.644 31.723 7.921 RESID 85 (C): H 8.364 8.364 7.604 0.760 RESID 86 (A): N 114.295 114.295 121.369 -7.074 RESID 86 (A): CA 57.507 57.507 51.003 6.504 RESID 86 (A): CB 21.784 21.784 22.953 -1.169 RESID 86 (A): H 6.897 6.897 8.692 -1.795 RESID 87 (I): N 120.670 120.670 120.491 0.179 RESID 87 (I): C 173.928 173.928 174.670 -0.742 RESID 87 (I): CA 61.020 61.020 60.046 0.974 RESID 87 (I): CB 39.938 39.938 41.524 -1.586 RESID 87 (I): H 8.282 8.282 8.644 -0.362 RESID 88 (I): N 120.205 120.205 127.454 -7.249 RESID 88 (I): C 173.635 173.635 174.928 -1.293 RESID 88 (I): CA 64.534 64.534 60.234 4.300 RESID 88 (I): CB 37.596 37.596 39.938 -2.341 RESID 88 (I): H 5.528 5.528 8.975 -3.447 RESID 89 (M): N 120.472 120.472 126.277 -5.805 RESID 89 (M): C 178.617 178.617 175.027 3.590 RESID 89 (M): CA 58.980 58.980 54.372 4.608 RESID 89 (M): CB 34.957 34.957 34.840 0.117 RESID 89 (M): H 8.176 8.176 8.749 -0.573 RESID 90 (F): N 121.134 121.134 118.841 2.293 RESID 90 (F): C 175.393 175.393 172.979 2.414 RESID 90 (F): CA 60.435 60.435 55.361 5.074 RESID 90 (F): CB 38.767 38.767 42.152 -3.385 RESID 90 (F): H 9.334 9.334 8.736 0.598 RESID 91 (D): N 120.273 120.273 120.642 -0.369 RESID 91 (D): C 177.730 177.730 178.089 -0.359 RESID 91 (D): CA 59.859 59.859 52.371 7.488 RESID 91 (D): CB 44.039 44.039 42.778 1.261 RESID 91 (D): H 7.597 7.597 8.905 -1.308 RESID 92 (V): N 115.158 115.158 123.481 -8.323 RESID 92 (V): C 173.342 173.342 176.547 -3.205 RESID 92 (V): CA 64.534 64.534 64.916 -0.382 RESID 92 (V): CB 37.596 37.596 31.291 6.304 RESID 92 (V): H 7.738 7.738 8.470 -0.732 RESID 93 (T): N 127.179 127.179 110.296 16.883 RESID 93 (T): C 178.902 178.902 174.767 4.135 RESID 93 (T): CA 64.254 64.254 63.004 1.250 RESID 93 (T): CB 74.215 74.215 69.173 5.042 RESID 93 (T): H 7.636 7.636 8.136 -0.500 RESID 94 (S): N 122.263 122.263 116.467 5.796 RESID 94 (S): C 163.965 163.965 174.857 -10.892 RESID 94 (S): CA 59.849 59.849 55.574 4.275 RESID 94 (S): CB 62.192 62.192 64.179 -1.987 RESID 94 (S): H 7.628 7.628 7.934 -0.306 RESID 95 (R): N 113.099 113.099 128.537 -15.438 RESID 95 (R): C 176.273 176.273 178.121 -1.848 RESID 95 (R): CA 53.407 53.407 59.579 -6.172 RESID 95 (R): CB 31.154 31.154 30.104 1.050 RESID 95 (R): H 8.102 8.102 9.073 -0.971 RESID 96 (V): N 124.787 124.787 119.189 5.598 RESID 96 (V): C 178.031 178.031 177.743 0.288 RESID 96 (V): CA 68.634 68.634 66.426 2.208 RESID 96 (V): CB 24.126 24.126 31.347 -7.221 RESID 96 (V): H 9.146 9.146 8.132 1.014 RESID 97 (T): N 111.970 111.970 116.089 -4.119 RESID 97 (T): C 178.031 178.031 175.951 2.080 RESID 97 (T): CA 63.949 63.949 66.318 -2.369 RESID 97 (T): CB 70.390 70.390 68.990 1.400 RESID 97 (T): H 7.984 7.984 7.594 0.390 RESID 98 (Y): N 113.232 113.232 121.119 -7.887 RESID 98 (Y): C 176.273 176.273 177.459 -1.186 RESID 98 (Y): H 7.605 7.605 7.673 -0.068 RESID 99 (K): N 123.726 123.726 118.711 5.015 RESID 99 (K): C 178.316 178.316 178.461 -0.145 RESID 99 (K): CA 58.691 58.691 59.417 -0.726 RESID 99 (K): CB 36.127 36.127 32.014 4.113 RESID 99 (K): H 8.360 8.360 8.073 0.287 RESID 100 (N): N 111.970 111.970 116.140 -4.170 RESID 100 (N): C 175.979 175.979 176.792 -0.813 RESID 100 (N): CA 53.407 53.407 55.082 -1.675 RESID 100 (N): CB 37.596 37.596 38.741 -1.145 RESID 100 (N): H 5.778 5.778 7.762 -1.984 RESID 101 (V): N 118.877 118.877 121.712 -2.835 RESID 101 (V): C 173.635 173.635 174.980 -1.345 RESID 101 (V): CA 62.777 62.777 68.493 -5.716 RESID 101 (V): CB 27.054 27.054 29.280 -2.226 RESID 101 (V): H 7.370 7.370 7.660 -0.290 RESID 102 (P): C 176.566 176.566 176.989 -0.423 RESID 102 (P): CA 62.500 62.500 65.212 -2.712 RESID 102 (P): CB 30.853 30.853 30.999 -0.146 RESID 103 (N): N 122.728 122.728 114.761 7.967 RESID 103 (N): C 175.100 175.100 176.893 -1.793 RESID 103 (N): CA 54.579 54.579 54.582 -0.003 RESID 103 (N): CB 38.767 38.767 37.412 1.355 RESID 103 (N): H 7.879 7.879 7.386 0.493 RESID 104 (W): N 122.730 122.730 120.148 2.582 RESID 104 (W): C 174.215 174.215 177.544 -3.329 RESID 104 (W): CA 59.273 59.273 60.584 -1.311 RESID 104 (W): CB 35.250 35.250 30.038 5.212 RESID 104 (W): H 7.902 7.902 7.650 0.252 RESID 105 (H): N 120.869 120.869 117.141 3.728 RESID 105 (H): C 177.738 177.738 174.449 3.289 RESID 105 (H): H 6.971 6.971 8.398 -1.427 RESID 106 (R): N 126.314 126.314 123.163 3.151 RESID 106 (R): C 176.566 176.566 176.262 0.304 RESID 106 (R): CA 62.777 62.777 57.563 5.213 RESID 106 (R): CB 29.397 29.397 31.138 -1.741 RESID 106 (R): H 7.507 7.507 7.917 -0.410 RESID 107 (D): N 119.076 119.076 121.810 -2.734 RESID 107 (D): C 176.566 176.566 178.419 -1.853 RESID 107 (D): CA 55.164 55.164 57.709 -2.545 RESID 107 (D): CB 41.695 41.695 40.980 0.715 RESID 107 (D): H 9.076 9.076 7.907 1.169 RESID 108 (L): N 113.299 113.299 119.794 -6.495 RESID 108 (L): C 176.273 176.273 178.566 -2.293 RESID 108 (L): CA 59.264 59.264 58.105 1.159 RESID 108 (L): CB 48.722 48.722 41.422 7.301 RESID 108 (L): H 6.725 6.725 7.809 -1.084 RESID 109 (V): N 121.267 121.267 118.638 2.629 RESID 109 (V): C 175.393 175.393 178.792 -3.399 RESID 109 (V): CA 63.949 63.949 66.182 -2.233 RESID 109 (V): CB 32.911 32.911 31.177 1.734 RESID 109 (V): H 8.763 8.763 7.820 0.943 RESID 110 (R): N 112.900 112.900 119.022 -6.122 RESID 110 (R): C 176.273 176.273 178.017 -1.744 RESID 110 (R): CA 57.507 57.507 59.432 -1.925 RESID 110 (R): CB 30.568 30.568 30.397 0.171 RESID 110 (R): H 7.241 7.241 8.087 -0.846 RESID 111 (V): N 115.556 115.556 114.490 1.066 RESID 111 (V): C 177.445 177.445 176.710 0.735 RESID 111 (V): CA 59.849 59.849 63.973 -4.124 RESID 111 (V): CB 32.911 32.911 32.965 -0.054 RESID 111 (V): H 7.566 7.566 7.691 -0.125 RESID 112 (C): N 114.295 114.295 117.183 -2.888 RESID 112 (C): C 169.826 169.826 174.921 -5.095 RESID 112 (C): CA 57.507 57.507 59.465 -1.958 RESID 112 (C): CB 35.839 35.839 29.116 6.723 RESID 112 (C): H 7.425 7.425 8.288 -0.863 RESID 113 (E): N 116.486 116.486 118.069 -1.583 RESID 113 (E): C 176.566 176.566 175.591 0.975 RESID 113 (E): CA 69.219 69.219 58.498 10.721 RESID 113 (E): CB 30.568 30.568 28.225 2.343 RESID 113 (E): H 7.241 7.241 8.205 -0.964 RESID 114 (N): N 129.302 129.302 121.396 7.906 RESID 114 (N): C 175.100 175.100 174.864 0.236 RESID 114 (N): CA 52.236 52.236 53.241 -1.005 RESID 114 (N): CB 39.938 39.938 38.124 1.814 RESID 114 (N): H 8.919 8.919 8.293 0.626 RESID 115 (I): N 110.443 110.443 119.986 -9.543 RESID 115 (I): C 175.100 175.100 173.349 1.751 RESID 115 (I): CA 65.705 65.705 57.846 7.859 RESID 115 (I): CB 39.353 39.353 40.145 -0.792 RESID 115 (I): H 9.287 9.287 7.841 1.446 RESID 116 (P): C 175.979 175.979 175.671 0.308 RESID 116 (P): CA 63.086 63.086 63.108 -0.022 RESID 116 (P): CB 29.681 29.681 32.522 -2.841 RESID 117 (I): N 123.591 123.591 123.727 -0.136 RESID 117 (I): C 174.807 174.807 175.159 -0.352 RESID 117 (I): CA 66.291 66.291 60.323 5.968 RESID 117 (I): CB 38.767 38.767 42.299 -3.532 RESID 117 (I): H 7.781 7.781 8.517 -0.736 RESID 118 (V): N 119.009 119.009 125.762 -6.753 RESID 118 (V): C 178.324 178.324 174.846 3.478 RESID 118 (V): CA 62.777 62.777 60.875 1.902 RESID 118 (V): CB 31.154 31.154 34.164 -3.010 RESID 118 (V): H 8.767 8.767 8.661 0.106 RESID 119 (L): N 119.408 119.408 126.921 -7.513 RESID 119 (L): C 178.031 178.031 176.116 1.915 RESID 119 (L): CA 42.866 42.866 53.964 -11.098 RESID 119 (L): CB 38.767 38.767 43.619 -4.852 RESID 119 (L): H 7.734 7.734 9.240 -1.506 RESID 120 (C): N 113.232 113.232 122.322 -9.090 RESID 120 (C): C 178.031 178.031 174.227 3.804 RESID 120 (C): H 8.317 8.317 9.224 -0.907 RESID 121 (G): N 117.349 117.349 112.956 4.393 RESID 121 (G): C 176.851 176.851 173.134 3.717 RESID 121 (G): CA 41.109 41.109 43.563 -2.454 RESID 121 (G): H 7.515 7.515 8.980 -1.465 RESID 122 (N): N 125.318 125.318 125.953 -0.635 RESID 122 (N): C 175.686 175.686 175.584 0.102 RESID 122 (N): CA 50.479 50.479 52.768 -2.289 RESID 122 (N): CB 39.353 39.353 40.549 -1.196 RESID 122 (N): H 9.162 9.162 8.530 0.632 RESID 123 (K): N 122.132 122.132 113.986 8.146 RESID 123 (K): C 173.043 173.043 177.496 -4.453 RESID 123 (K): CA 58.101 58.101 57.504 0.597 RESID 123 (K): CB 35.543 35.543 29.967 5.576 RESID 123 (K): H 7.953 7.953 8.834 -0.881 RESID 124 (V): N 123.726 123.726 112.650 11.076 RESID 124 (V): C 175.679 175.679 176.547 -0.868 RESID 124 (V): CA 64.840 64.840 64.645 0.195 RESID 124 (V): CB 42.574 42.574 31.385 11.189 RESID 124 (V): H 8.555 8.555 7.550 1.005 RESID 125 (D): N 119.607 119.607 119.889 -0.282 RESID 125 (D): C 176.566 176.566 177.021 -0.455 RESID 125 (D): CA 55.750 55.750 56.270 -0.520 RESID 125 (D): CB 40.524 40.524 40.629 -0.105 RESID 125 (D): H 7.875 7.875 8.139 -0.264 RESID 126 (I): N 116.088 116.088 120.799 -4.711 RESID 126 (I): C 177.152 177.152 176.293 0.859 RESID 126 (I): CA 66.291 66.291 61.637 4.654 RESID 126 (I): CB 39.353 39.353 38.560 0.793 RESID 126 (I): H 7.511 7.511 7.440 0.071 RESID 127 (K): N 121.203 121.203 124.303 -3.100 RESID 127 (K): C 175.979 175.979 177.572 -1.593 RESID 127 (K): CA 58.101 58.101 58.148 -0.047 RESID 127 (K): CB 35.834 35.834 32.600 3.234 RESID 127 (K): H 8.113 8.113 8.309 -0.196 RESID 128 (D): N 118.279 118.279 120.341 -2.062 RESID 128 (D): C 176.566 176.566 175.022 1.544 RESID 128 (D): CA 53.407 53.407 52.914 0.493 RESID 128 (D): CB 40.524 40.524 39.685 0.839 RESID 128 (D): H 7.241 7.241 8.214 -0.973 RESID 129 (R): N 118.943 118.943 123.532 -4.589 RESID 129 (R): C 177.738 177.738 176.713 1.025 RESID 129 (R): CA 45.794 45.794 56.673 -10.879 RESID 129 (R): CB 31.154 31.154 30.686 0.468 RESID 129 (R): H 8.423 8.423 7.836 0.587 RESID 130 (K): N 109.381 109.381 121.779 -12.398 RESID 130 (K): C 176.566 176.566 176.912 -0.346 RESID 130 (K): CA 55.164 55.164 55.932 -0.768 RESID 130 (K): CB 36.424 36.424 33.641 2.783 RESID 130 (K): H 7.296 7.296 8.352 -1.056 RESID 131 (V): N 110.377 110.377 122.072 -11.695 RESID 131 (V): C 178.617 178.617 174.494 4.123 RESID 131 (V): CA 65.705 65.705 61.651 4.054 RESID 131 (V): CB 35.839 35.839 31.257 4.582 RESID 131 (V): H 9.283 9.283 8.224 1.059 RESID 132 (K): N 110.310 110.310 127.531 -17.221 RESID 132 (K): C 176.273 176.273 177.679 -1.406 RESID 132 (K): CA 59.849 59.849 55.947 3.902 RESID 132 (K): CB 35.253 35.253 34.114 1.139 RESID 132 (K): H 9.709 9.709 8.158 1.551 RESID 133 (A): N 134.349 134.349 126.211 8.138 RESID 133 (A): CA 51.065 51.065 54.779 -3.714 RESID 133 (A): CB 12.999 12.999 18.293 -5.294 RESID 133 (A): H 6.322 6.322 8.764 -2.442 RESID 134 (K): N 117.615 117.615 116.970 0.645 RESID 134 (K): C 176.859 176.859 177.456 -0.597 RESID 134 (K): CA 55.750 55.750 58.399 -2.649 RESID 134 (K): CB 54.579 54.579 32.416 22.163 RESID 134 (K): H 6.549 6.549 8.187 -1.638 RESID 135 (S): N 109.314 109.314 113.406 -4.092 RESID 135 (S): C 173.635 173.635 174.945 -1.310 RESID 135 (S): CA 56.336 56.336 59.351 -3.015 RESID 135 (S): CB 63.949 63.949 63.335 0.614 RESID 135 (S): H 7.840 7.840 7.537 0.303 RESID 136 (I): N 124.123 124.123 122.195 1.928 RESID 136 (I): C 175.100 175.100 175.294 -0.194 RESID 136 (I): CA 68.634 68.634 62.817 5.817 RESID 136 (I): CB 43.452 43.452 37.883 5.569 RESID 136 (I): H 8.098 8.098 7.243 0.855 RESID 137 (V): N 113.232 113.232 126.522 -13.290 RESID 137 (V): C 176.859 176.859 176.129 0.730 RESID 137 (V): CA 64.534 64.534 61.487 3.047 RESID 137 (V): CB 34.082 34.082 34.354 -0.272 RESID 137 (V): H 7.711 7.711 8.165 -0.454 RESID 138 (F): N 118.279 118.279 122.530 -4.251 RESID 138 (F): C 175.393 175.393 176.140 -0.747 RESID 138 (F): CA 58.092 58.092 62.017 -3.925 RESID 138 (F): CB 39.353 39.353 39.133 0.220 RESID 138 (F): H 8.317 8.317 7.692 0.625 RESID 139 (H): N 120.605 120.605 115.467 5.138 RESID 139 (H): C 175.979 175.979 176.981 -1.002 RESID 139 (H): CA 67.775 67.775 59.246 8.529 RESID 139 (H): CB 35.836 35.836 28.905 6.931 RESID 139 (H): H 8.094 8.094 8.906 -0.812 RESID 140 (R): N 120.140 120.140 120.036 0.104 RESID 140 (R): C 178.023 178.023 179.065 -1.042 RESID 140 (R): CA 58.394 58.394 59.086 -0.691 RESID 140 (R): CB 39.644 39.644 29.768 9.876 RESID 140 (R): H 8.149 8.149 6.969 1.180 RESID 141 (K): N 115.623 115.623 119.861 -4.238 RESID 141 (K): C 173.635 173.635 178.156 -4.521 RESID 141 (K): CA 58.092 58.092 58.678 -0.586 RESID 141 (K): CB 33.496 33.496 32.336 1.160 RESID 141 (K): H 7.449 7.449 7.363 0.086 RESID 142 (K): N 114.162 114.162 115.284 -1.122 RESID 142 (K): C 175.979 175.979 175.801 0.178 RESID 142 (K): CA 51.065 51.065 55.084 -4.019 RESID 142 (K): CB 34.668 34.668 32.054 2.614 RESID 142 (K): H 8.982 8.982 7.583 1.399 RESID 143 (N): N 112.103 112.103 115.935 -3.832 RESID 143 (N): C 175.100 175.100 174.278 0.822 RESID 143 (N): CA 53.407 53.407 54.121 -0.714 RESID 143 (N): CB 39.938 39.938 36.180 3.758 RESID 143 (N): H 7.402 7.402 7.804 -0.402 RESID 144 (L): N 118.810 118.810 117.173 1.637 RESID 144 (L): CA 53.993 53.993 53.496 0.497 RESID 144 (L): CB 42.866 42.866 44.239 -1.373 RESID 144 (L): H 7.793 7.793 8.017 -0.224 RESID 145 (Q): N 119.607 119.607 118.063 1.544 RESID 145 (Q): C 176.859 176.859 174.257 2.602 RESID 145 (Q): CA 55.164 55.164 53.584 1.580 RESID 145 (Q): CB 29.983 29.983 31.242 -1.259 RESID 145 (Q): H 7.014 7.014 8.171 -1.157 RESID 146 (Y): N 119.275 119.275 124.490 -5.215 RESID 146 (Y): C 174.807 174.807 174.388 0.419 RESID 146 (Y): CA 62.777 62.777 56.112 6.665 RESID 146 (Y): CB 41.109 41.109 40.762 0.347 RESID 146 (Y): H 9.350 9.350 8.192 1.158 RESID 147 (Y): N 123.658 123.658 125.044 -1.386 RESID 147 (Y): C 177.738 177.738 173.747 3.991 RESID 147 (Y): CA 58.092 58.092 56.267 1.825 RESID 147 (Y): CB 39.938 39.938 42.128 -2.190 RESID 147 (Y): H 8.340 8.340 8.583 -0.243 RESID 148 (D): N 121.267 121.267 123.550 -2.283 RESID 148 (D): C 176.859 176.859 175.510 1.349 RESID 148 (D): CA 54.579 54.579 54.321 0.258 RESID 148 (D): CB 41.109 41.109 41.736 -0.627 RESID 148 (D): H 8.911 8.911 8.433 0.478 RESID 149 (I): N 119.607 119.607 117.255 2.352 RESID 149 (I): C 174.807 174.807 174.240 0.567 RESID 149 (I): CA 61.020 61.020 59.094 1.926 RESID 149 (I): CB 39.353 39.353 42.605 -3.252 RESID 149 (I): H 8.712 8.712 8.553 0.159 RESID 150 (S): N 117.349 117.349 116.339 1.010 RESID 150 (S): C 175.686 175.686 174.503 1.183 RESID 150 (S): CA 60.435 60.435 55.476 4.959 RESID 150 (S): CB 62.192 62.192 65.442 -3.251 RESID 150 (S): H 8.454 8.454 8.424 0.030 RESID 151 (A): N 131.162 131.162 131.369 -0.207 RESID 151 (A): C 160.742 160.742 179.307 -18.565 RESID 151 (A): CA 53.993 53.993 55.281 -1.288 RESID 151 (A): CB 22.369 22.369 19.037 3.332 RESID 151 (A): H 10.640 10.640 9.004 1.636 RESID 152 (K): N 121.400 121.400 118.363 3.037 RESID 152 (K): C 174.221 174.221 177.902 -3.681 RESID 152 (K): CA 59.849 59.849 58.634 1.215 RESID 152 (K): CB 34.668 34.668 32.412 2.256 RESID 152 (K): H 9.099 9.099 8.196 0.903 RESID 153 (S): N 135.212 135.212 110.238 24.974 RESID 153 (S): C 177.152 177.152 174.277 2.875 RESID 153 (S): CA 62.192 62.192 58.059 4.133 RESID 153 (S): CB 66.291 66.291 64.794 1.497 RESID 153 (S): H 8.935 8.935 7.693 1.242 RESID 154 (N): N 119.341 119.341 116.466 2.875 RESID 154 (N): C 175.979 175.979 174.145 1.834 RESID 154 (N): CA 49.894 49.894 54.542 -4.648 RESID 154 (N): CB 39.353 39.353 36.016 3.337 RESID 154 (N): H 7.488 7.488 8.512 -1.024 RESID 155 (Y): N 120.074 120.074 123.476 -3.402 RESID 155 (Y): C 177.144 177.144 175.356 1.788 RESID 155 (Y): CA 60.738 60.738 60.084 0.654 RESID 155 (Y): CB 41.402 41.402 38.577 2.825 RESID 155 (Y): H 7.945 7.945 7.466 0.479 RESID 156 (N): N 124.058 124.058 122.540 1.518 RESID 156 (N): C 175.679 175.679 176.381 -0.702 RESID 156 (N): CA 53.121 53.121 54.563 -1.442 RESID 156 (N): CB 38.179 38.179 35.684 2.495 RESID 156 (N): H 8.192 8.192 8.729 -0.537 RESID 157 (F): N 123.459 123.459 117.381 6.078 RESID 157 (F): C 174.221 174.221 176.227 -2.006 RESID 157 (F): CA 57.507 57.507 60.715 -3.208 RESID 157 (F): CB 39.353 39.353 38.479 0.874 RESID 157 (F): H 7.429 7.429 8.144 -0.715 RESID 158 (E): N 112.568 112.568 117.465 -4.897 RESID 158 (E): C 176.566 176.566 177.692 -1.126 RESID 158 (E): CA 72.147 72.147 57.248 14.899 RESID 158 (E): CB 27.640 27.640 28.541 -0.901 RESID 158 (E): H 7.495 7.495 8.049 -0.554 RESID 159 (K): N 113.232 113.232 119.620 -6.388 RESID 159 (K): C 176.566 176.566 175.935 0.631 RESID 159 (K): CA 53.993 53.993 61.505 -7.512 RESID 159 (K): CB 33.496 33.496 30.047 3.449 RESID 159 (K): H 6.862 6.862 7.362 -0.500 RESID 160 (P): C 176.273 176.273 178.726 -2.453 RESID 160 (P): CA 64.258 64.258 65.648 -1.390 RESID 160 (P): CB 32.318 32.318 31.177 1.141 RESID 161 (F): N 123.726 123.726 117.074 6.652 RESID 161 (F): C 176.851 176.851 177.954 -1.103 RESID 161 (F): CA 60.445 60.445 62.305 -1.860 RESID 161 (F): CB 40.816 40.816 38.285 2.531 RESID 161 (F): H 8.215 8.215 7.466 0.749 RESID 162 (L): N 110.177 110.177 119.296 -9.119 RESID 162 (L): C 176.273 176.273 178.824 -2.551 RESID 162 (L): CA 55.750 55.750 58.044 -2.294 RESID 162 (L): CB 44.037 44.037 41.557 2.480 RESID 162 (L): H 7.527 7.527 7.954 -0.427 RESID 163 (W): N 123.525 123.525 121.480 2.045 RESID 163 (W): C 177.152 177.152 178.047 -0.895 RESID 163 (W): CA 61.606 61.606 60.852 0.754 RESID 163 (W): CB 28.811 28.811 29.947 -1.136 RESID 163 (W): H 7.476 7.476 8.446 -0.970 RESID 164 (L): N 119.740 119.740 118.814 0.926 RESID 164 (L): C 175.686 175.686 178.806 -3.120 RESID 164 (L): CA 61.020 61.020 57.677 3.343 RESID 164 (L): CB 45.794 45.794 41.411 4.383 RESID 164 (L): H 9.412 9.412 8.123 1.289 RESID 165 (A): N 118.013 118.013 121.520 -3.507 RESID 165 (A): C 165.723 165.723 179.505 -13.782 RESID 165 (A): CA 52.236 52.236 55.151 -2.915 RESID 165 (A): CB 21.784 21.784 18.108 3.676 RESID 165 (A): H 7.707 7.707 8.329 -0.622 RESID 166 (R): N 122.994 122.994 118.431 4.563 RESID 166 (R): C 175.979 175.979 178.765 -2.786 RESID 166 (R): CA 49.308 49.308 59.277 -9.969 RESID 166 (R): CB 29.397 29.397 30.070 -0.673 RESID 166 (R): H 8.692 8.692 8.059 0.633 RESID 167 (K): N 112.568 112.568 120.165 -7.597 RESID 167 (K): C 176.273 176.273 179.307 -3.034 RESID 167 (K): CA 58.092 58.092 59.006 -0.914 RESID 167 (K): CB 34.668 34.668 32.020 2.648 RESID 167 (K): H 6.819 6.819 7.347 -0.528 RESID 168 (L): N 114.959 114.959 119.699 -4.740 RESID 168 (L): C 177.738 177.738 179.029 -1.291 RESID 168 (L): CA 56.921 56.921 57.608 -0.687 RESID 168 (L): CB 41.695 41.695 41.935 -0.240 RESID 168 (L): H 7.269 7.269 7.824 -0.555 RESID 169 (I): N 122.199 122.199 116.034 6.165 RESID 169 (I): C 177.445 177.445 177.146 0.299 RESID 169 (I): CA 63.375 63.375 63.383 -0.008 RESID 169 (I): CB 42.281 42.281 38.675 3.606 RESID 169 (I): H 8.360 8.360 8.079 0.281 RESID 170 (G): N 113.099 113.099 106.431 6.668 RESID 170 (G): C 162.496 162.496 173.818 -11.322 RESID 170 (G): CA 44.037 44.037 44.886 -0.849 RESID 170 (G): H 6.686 6.686 8.031 -1.345 RESID 171 (D): N 113.232 113.232 121.451 -8.219 RESID 171 (D): C 178.910 178.910 175.805 3.105 RESID 171 (D): CA 50.479 50.479 50.630 -0.151 RESID 171 (D): CB 41.109 41.109 42.364 -1.255 RESID 171 (D): H 6.815 6.815 7.554 -0.739 RESID 172 (P): C 176.566 176.566 176.983 -0.417 RESID 172 (P): CA 63.965 63.965 64.233 -0.268 RESID 172 (P): CB 31.732 31.732 32.167 -0.435 RESID 173 (N): N 109.779 109.779 115.703 -5.924 RESID 173 (N): C 175.979 175.979 175.530 0.449 RESID 173 (N): CA 54.579 54.579 52.950 1.629 RESID 173 (N): CB 36.424 36.424 39.516 -3.092 RESID 173 (N): H 8.016 8.016 8.452 -0.436 RESID 174 (L): N 109.248 109.248 121.923 -12.675 RESID 174 (L): C 176.566 176.566 175.555 1.011 RESID 174 (L): CA 56.336 56.336 56.167 0.169 RESID 174 (L): CB 44.037 44.037 42.155 1.882 RESID 174 (L): H 7.871 7.871 7.373 0.498 RESID 175 (E): N 125.185 125.185 120.411 4.774 RESID 175 (E): C 177.445 177.445 174.856 2.589 RESID 175 (E): CA 76.247 76.247 54.394 21.853 RESID 175 (E): CB 28.811 28.811 34.153 -5.342 RESID 175 (E): H 9.127 9.127 8.134 0.993 RESID 176 (F): N 136.873 136.873 123.460 13.413 RESID 176 (F): C 178.617 178.617 175.311 3.306 RESID 176 (F): CA 59.264 59.264 58.495 0.769 RESID 176 (F): CB 44.623 44.623 39.987 4.636 RESID 176 (F): H 10.058 10.058 8.583 1.475 RESID 177 (V): N 118.877 118.877 122.212 -3.335 RESID 177 (V): C 177.445 177.445 174.476 2.969 RESID 177 (V): CA 62.777 62.777 59.553 3.224 RESID 177 (V): CB 34.668 34.668 34.601 0.067 RESID 177 (V): H 7.789 7.789 8.046 -0.257 RESID 178 (A): N 123.859 123.859 131.131 -7.272 RESID 178 (A): C 177.144 177.144 176.198 0.946 RESID 178 (A): CA 54.000 54.000 53.932 0.068 RESID 178 (A): CB 15.035 15.035 18.300 -3.265 RESID 178 (A): H 7.683 7.683 8.304 -0.621 RESID 179 (M): N 121.668 121.668 116.877 4.791 RESID 179 (M): C 177.144 177.144 173.327 3.817 RESID 179 (M): CA 60.445 60.445 54.356 6.089 RESID 179 (M): CB 39.351 39.351 32.698 6.653 RESID 179 (M): H 7.648 7.648 8.359 -0.711 RESID 180 (P): C 177.445 177.445 175.672 1.773 RESID 180 (P): CA 64.844 64.844 62.392 2.452 RESID 180 (P): CB 29.974 29.974 32.833 -2.859 RESID 181 (A): N 128.439 128.439 121.649 6.790 RESID 181 (A): C 176.273 176.273 178.403 -2.130 RESID 181 (A): CA 58.092 58.092 51.873 6.219 RESID 181 (A): CB 21.198 21.198 19.602 1.596 RESID 181 (A): H 8.673 8.673 8.207 0.466 RESID 182 (L): N 122.130 122.130 122.222 -0.092 RESID 182 (L): C 177.445 177.445 177.051 0.394 RESID 182 (L): CA 55.164 55.164 55.153 0.011 RESID 182 (L): CB 42.866 42.866 41.764 1.102 RESID 182 (L): H 8.821 8.821 8.769 0.052 RESID 183 (A): N 121.004 121.004 128.682 -7.678 RESID 183 (A): C 178.617 178.617 175.646 2.971 RESID 183 (A): CA 57.808 57.808 50.062 7.746 RESID 183 (A): CB 24.117 24.117 19.075 5.042 RESID 183 (A): H 8.356 8.356 8.076 0.280 RESID 184 (P): C 177.152 177.152 175.103 2.049 RESID 184 (P): CA 64.258 64.258 61.742 2.516 RESID 184 (P): CB 29.681 29.681 31.276 -1.595 RESID 185 (P): C 175.686 175.686 176.610 -0.924 RESID 185 (P): CA 63.379 63.379 63.038 0.341 RESID 185 (P): CB 35.248 35.248 32.128 3.120 RESID 186 (E): N 120.539 120.539 122.680 -2.141 RESID 186 (E): C 176.273 176.273 175.202 1.071 RESID 186 (E): CA 58.101 58.101 57.389 0.712 RESID 186 (E): CB 35.836 35.836 29.937 5.899 RESID 186 (E): H 8.086 8.086 8.502 -0.416 RESID 187 (V): N 124.455 124.455 122.703 1.752 RESID 187 (V): C 178.910 178.910 175.622 3.288 RESID 187 (V): CA 63.363 63.363 62.205 1.158 RESID 187 (V): CB 34.082 34.082 32.826 1.256 RESID 187 (V): H 8.622 8.622 8.183 0.439 RESID 188 (V): N 128.572 128.572 126.346 2.226 RESID 188 (V): C 178.324 178.324 176.463 1.861 RESID 188 (V): CA 68.634 68.634 63.554 5.080 RESID 188 (V): CB 31.154 31.154 32.044 -0.890 RESID 188 (V): H 8.497 8.497 8.185 0.312 RESID 189 (M): N 122.795 122.795 118.471 4.324 RESID 189 (M): C 177.445 177.445 175.382 2.063 RESID 189 (M): CA 55.164 55.164 55.778 -0.614 RESID 189 (M): CB 35.253 35.253 33.551 1.702 RESID 189 (M): H 6.991 6.991 7.701 -0.710 RESID 190 (D): N 114.959 114.959 119.075 -4.116 RESID 190 (D): C 175.686 175.686 175.821 -0.135 RESID 190 (D): CA 51.065 51.065 56.098 -5.033 RESID 190 (D): CB 41.695 41.695 40.437 1.258 RESID 190 (D): H 7.210 7.210 8.639 -1.429 RESID 191 (P): C 176.566 176.566 177.411 -0.845 RESID 191 (P): CA 63.965 63.965 65.334 -1.369 RESID 191 (P): CB 31.146 31.146 31.331 -0.185 RESID 192 (A): N 109.513 109.513 119.452 -9.939 RESID 192 (A): CA 53.993 53.993 53.907 0.086 RESID 192 (A): CB 19.441 19.441 18.395 1.046 RESID 192 (A): H 7.394 7.394 8.400 -1.006 RESID 193 (L): N 119.009 119.009 118.333 0.676 RESID 193 (L): C 175.979 175.979 177.361 -1.382 RESID 193 (L): CA 56.336 56.336 55.800 0.536 RESID 193 (L): CB 42.866 42.866 42.100 0.766 RESID 193 (L): H 8.340 8.340 7.817 0.523 RESID 194 (A): N 121.666 121.666 119.985 1.681 RESID 194 (A): C 166.896 166.896 178.223 -11.327 RESID 194 (A): CA 55.164 55.164 53.046 2.118 RESID 194 (A): CB 16.513 16.513 19.367 -2.854 RESID 194 (A): H 8.176 8.176 7.946 0.230 RESID 195 (A): N 119.541 119.541 121.156 -1.615 RESID 195 (A): C 173.928 173.928 179.234 -5.306 RESID 195 (A): CA 57.507 57.507 54.268 3.239 RESID 195 (A): CB 19.441 19.441 17.392 2.049 RESID 195 (A): H 8.364 8.364 8.824 -0.460 RESID 196 (Q): N 107.322 107.322 119.217 -11.895 RESID 196 (Q): C 176.273 176.273 178.036 -1.763 RESID 196 (Q): CA 56.921 56.921 58.585 -1.664 RESID 196 (Q): CB 29.983 29.983 28.740 1.243 RESID 196 (Q): H 7.910 7.910 7.799 0.111 RESID 197 (Y): N 119.277 119.277 118.305 0.972 RESID 197 (Y): C 178.316 178.316 178.223 0.093 RESID 197 (Y): CA 56.343 56.343 60.712 -4.369 RESID 197 (Y): CB 43.453 43.453 37.816 5.637 RESID 197 (Y): H 8.180 8.180 8.245 -0.065 RESID 198 (E): N 110.244 110.244 118.500 -8.256 RESID 198 (E): C 176.273 176.273 178.503 -2.230 RESID 198 (E): CA 53.407 53.407 59.693 -6.286 RESID 198 (E): CB 30.568 30.568 29.342 1.226 RESID 198 (E): H 7.523 7.523 7.966 -0.443 RESID 199 (H): N 119.211 119.211 119.184 0.027 RESID 199 (H): C 178.902 178.902 177.319 1.583 RESID 199 (H): CA 58.687 58.687 59.738 -1.051 RESID 199 (H): CB 34.957 34.957 29.657 5.300 RESID 199 (H): H 8.258 8.258 7.706 0.552 RESID 200 (D): N 124.722 124.722 120.089 4.633 RESID 200 (D): C 176.705 176.705 178.877 -2.172 RESID 200 (D): CA 58.687 58.687 57.244 1.443 RESID 200 (D): CB 39.644 39.644 40.471 -0.827 RESID 200 (D): H 8.086 8.086 7.739 0.347 RESID 201 (L): N 116.353 116.353 120.362 -4.009 RESID 201 (L): C 178.910 178.910 179.203 -0.293 RESID 201 (L): CA 61.606 61.606 58.148 3.458 RESID 201 (L): CB 41.109 41.109 41.764 -0.654 RESID 201 (L): H 7.722 7.722 8.148 -0.426 RESID 202 (E): N 118.080 118.080 118.705 -0.625 RESID 202 (E): C 176.566 176.566 179.309 -2.743 RESID 202 (E): CA 56.921 56.921 59.285 -2.364 RESID 202 (E): CB 30.568 30.568 29.277 1.291 RESID 202 (E): H 8.857 8.857 7.988 0.869 RESID 203 (V): N 129.369 129.369 117.543 11.826 RESID 203 (V): C 178.617 178.617 177.709 0.908 RESID 203 (V): CA 64.534 64.534 66.030 -1.496 RESID 203 (V): CB 27.640 27.640 30.590 -2.950 RESID 203 (V): H 9.283 9.283 7.575 1.708 RESID 204 (A): N 109.580 109.580 122.548 -12.968 RESID 204 (A): C 176.859 176.859 179.680 -2.821 RESID 204 (A): CA 54.579 54.579 54.588 -0.009 RESID 204 (A): CB 18.270 18.270 18.530 -0.260 RESID 204 (A): H 8.528 8.528 7.936 0.592 RESID 205 (Q): N 123.328 123.328 116.513 6.815 RESID 205 (Q): C 177.418 177.418 178.252 -0.834 RESID 205 (Q): CA 57.515 57.515 58.520 -1.005 RESID 205 (Q): CB 33.785 33.785 29.070 4.715 RESID 205 (Q): H 8.160 8.160 7.998 0.162 RESID 206 (T): N 120.271 120.271 114.533 5.738 RESID 206 (T): C 176.273 176.273 175.442 0.831 RESID 206 (T): CA 67.462 67.462 64.565 2.897 RESID 206 (T): CB 70.390 70.390 69.085 1.305 RESID 206 (T): H 7.585 7.585 7.812 -0.227 RESID 207 (T): N 111.970 111.970 119.039 -7.069 RESID 207 (T): C 176.566 176.566 173.812 2.754 RESID 207 (T): CA 64.534 64.534 63.356 1.178 RESID 207 (T): CB 72.733 72.733 69.525 3.208 RESID 207 (T): H 7.468 7.468 7.551 -0.083 RESID 208 (A): N 115.623 115.623 129.289 -13.666 RESID 208 (A): C 168.947 168.947 176.876 -7.929 RESID 208 (A): CA 55.164 55.164 51.590 3.574 RESID 208 (A): CB 22.369 22.369 19.617 2.752 RESID 208 (A): H 7.390 7.390 8.436 -1.046 RESID 209 (L): N 117.814 117.814 123.844 -6.030 RESID 209 (L): C 176.273 176.273 175.029 1.244 RESID 209 (L): CA 58.678 58.678 51.684 6.994 RESID 209 (L): CB 46.380 46.380 43.237 3.143 RESID 209 (L): H 7.652 7.652 8.228 -0.576 RESID 210 (P): C 176.566 176.566 175.251 1.315 RESID 210 (P): CA 63.086 63.086 62.460 0.626 RESID 210 (P): CB 31.146 31.146 30.862 0.284 RESID 211 (D): N 122.863 122.863 121.140 1.723 RESID 211 (D): C 175.686 175.686 176.291 -0.605 RESID 211 (D): CA 56.343 56.343 53.413 2.929 RESID 211 (D): CB 41.402 41.402 41.625 -0.223 RESID 211 (D): H 8.360 8.360 8.002 0.358 RESID 212 (E): N 131.162 131.162 126.865 4.297 RESID 212 (E): C 176.273 176.273 176.128 0.145 RESID 212 (E): CA 55.164 55.164 57.999 -2.835 RESID 212 (E): CB 30.568 30.568 30.706 -0.138 RESID 212 (E): H 8.399 8.399 8.570 -0.171 RESID 213 (D): N 122.797 122.797 113.928 8.869 RESID 213 (D): C 177.152 177.152 176.716 0.436 RESID 213 (D): CA 61.914 61.914 53.651 8.263 RESID 213 (D): CB 49.607 49.607 40.266 9.341 RESID 213 (D): H 8.168 8.168 7.878 0.290 RESID 214 (D): N 112.369 112.369 121.639 -9.270 RESID 214 (D): C 178.910 178.910 176.816 2.094 RESID 214 (D): CA 54.579 54.579 57.477 -2.898 RESID 214 (D): CB 39.353 39.353 40.466 -1.113 RESID 214 (D): H 7.464 7.464 8.300 -0.836 RESID 215 (D): N 127.244 127.244 119.383 7.861 RESID 215 (D): C 176.859 176.859 176.947 -0.088 RESID 215 (D): CA 54.579 54.579 56.206 -1.627 RESID 215 (D): CB 40.524 40.524 41.566 -1.042 RESID 215 (D): H 8.301 8.301 8.170 0.131 N HA C CA CB H RESID 3 (A): 3.459 ----- -2.763 -4.461 -0.013 0.693 RESID 4 (Q): 1.169 ----- -0.785 -2.069 -2.244 0.734 RESID 5 (G): 15.202 ----- 8.180 0.903 ----- 0.083 RESID 6 (E): 7.507 ----- 1.140 3.373 -1.735 1.425 RESID 7 (P): ----- ----- -0.450 -1.367 -1.222 ----- RESID 8 (Q): -1.930 ----- 1.663 -5.522 -2.574 -2.095 RESID 9 (V): 4.394 ----- 4.408 4.104 -0.075 -1.154 RESID 10 (Q): -8.452 ----- 1.687 0.920 -3.928 -0.090 RESID 11 (F): -5.547 ----- 1.799 3.338 -1.205 -0.877 RESID 12 (K): 3.198 ----- 3.767 1.913 ----- 1.165 RESID 13 (L): -17.685 ----- 3.168 1.106 -2.986 -2.052 RESID 14 (V): -0.277 ----- 0.894 9.315 -4.825 -0.475 RESID 15 (L): -1.419 ----- 1.590 1.670 ----- -1.226 RESID 16 (V): 2.716 ----- 3.916 4.719 0.554 0.109 RESID 17 (G): 20.899 ----- 1.991 -2.229 ----- 2.917 RESID 18 (D): 4.469 ----- -0.416 3.000 3.989 0.010 RESID 19 (G): 13.387 ----- 3.360 -3.115 ----- 0.174 RESID 20 (G): 17.863 ----- -1.586 -3.654 ----- -0.145 RESID 21 (T): 8.156 ----- -3.826 -2.708 -4.090 0.433 RESID 22 (G): 4.232 ----- 9.299 0.117 ----- -1.534 RESID 23 (K): 1.515 ----- 0.304 -1.753 7.814 -0.137 RESID 24 (T): 0.498 ----- 1.520 -4.981 3.389 -0.054 RESID 25 (T): -8.915 ----- 2.189 -2.237 3.139 0.288 RESID 26 (F): -8.899 ----- -2.303 -8.445 1.621 -0.770 RESID 27 (V): 3.676 ----- 0.402 0.450 -2.065 -1.237 RESID 28 (K): -5.634 ----- -1.758 -1.553 1.937 -0.698 RESID 29 (R): -7.345 ----- -4.847 13.379 8.125 -1.069 RESID 30 (H): 5.257 ----- -4.575 -7.641 0.973 0.220 RESID 31 (L): -6.182 ----- -0.557 -2.000 -0.015 -0.088 RESID 32 (T): 15.406 ----- -4.824 1.846 4.840 0.129 RESID 33 (G): 17.106 ----- -11.990 -1.933 ----- 1.922 RESID 34 (E): 0.140 ----- -0.740 2.212 3.700 0.712 RESID 35 (F): -7.738 ----- -1.247 -7.579 1.098 -1.426 RESID 36 (E): -4.731 ----- -0.602 3.491 18.167 -0.473 RESID 37 (K): -6.380 ----- -3.792 -8.091 3.801 -0.090 RESID 38 (K): -12.901 ----- 0.902 4.123 1.391 0.060 RESID 39 (Y): -16.316 ----- -0.021 2.713 -2.754 -1.339 RESID 40 (V): -9.171 ----- 0.096 -0.155 -3.161 0.068 RESID 42 (T): -0.836 ----- 4.955 -2.529 0.792 -0.195 RESID 43 (L): -8.840 ----- -3.214 3.187 -0.095 0.796 RESID 44 (G): 1.147 ----- 6.201 8.486 ----- -1.695 RESID 45 (V): -13.614 ----- 0.353 3.366 -17.975 0.125 RESID 46 (E): 1.637 ----- 2.454 0.452 0.015 0.912 RESID 47 (V): 0.550 ----- -0.099 2.224 4.891 -0.017 RESID 48 (H): 2.200 ----- -3.700 -3.448 -4.480 1.243 RESID 49 (P): ----- ----- 0.639 -0.149 -2.370 ----- RESID 50 (L): -8.292 ----- 2.936 4.835 -3.382 -1.632 RESID 51 (V): -8.665 ----- -1.045 3.240 3.303 -0.431 RESID 52 (F): -1.348 ----- 0.629 0.576 -3.746 -0.322 RESID 53 (H): -2.704 ----- -4.332 0.308 -1.331 -0.618 RESID 54 (T): -5.936 ----- 3.004 4.465 0.926 -0.601 RESID 55 (N): 11.634 ----- -0.365 -4.747 -1.214 1.639 RESID 56 (R): 3.831 ----- -0.920 5.855 2.410 -0.336 RESID 57 (G): 19.525 ----- 3.813 -1.949 ----- 1.813 RESID 58 (P): ----- ----- 0.886 2.132 -3.268 ----- RESID 59 (I): 13.671 ----- 2.136 5.773 -1.679 -0.216 RESID 60 (K): 3.420 ----- 4.096 19.985 -4.304 -0.554 RESID 61 (F): -3.916 ----- 0.373 0.635 0.335 -1.932 RESID 62 (N): 0.900 ----- -1.078 1.003 2.636 -0.959 RESID 63 (V): -21.283 ----- -0.311 -2.034 -1.412 -0.787 RESID 64 (W): -0.703 ----- 2.049 3.431 -0.550 -0.644 RESID 65 (D): -6.430 ----- -1.352 2.105 -2.099 -0.471 RESID 66 (T): 4.670 ----- 4.894 8.310 0.444 -0.138 RESID 67 (A): -17.734 ----- -0.302 -2.837 -6.150 0.902 RESID 68 (G): 5.838 ----- 13.423 -0.931 ----- 2.055 RESID 69 (Q): 2.930 ----- -1.933 0.969 2.659 -0.161 RESID 70 (E): -5.508 ----- 0.637 1.011 -1.527 1.382 RESID 71 (K): -6.559 ----- -0.116 -7.308 4.049 0.426 RESID 72 (F): -4.263 ----- -1.079 -2.258 -2.360 0.073 RESID 73 (G): 5.023 ----- -6.312 -2.652 ----- -0.371 RESID 74 (G): 12.724 ----- -2.064 -2.353 ----- 0.890 RESID 75 (L): 9.429 ----- 0.883 -3.495 0.898 -0.018 RESID 76 (R): -0.894 ----- 0.122 3.149 1.178 -0.303 RESID 77 (D): 8.250 ----- -0.746 -4.775 1.323 1.358 RESID 78 (G): 19.898 ----- -2.130 -2.397 ----- -0.280 RESID 79 (Y): 1.872 ----- -0.812 -0.955 2.355 1.238 RESID 80 (Y): 4.905 ----- 0.065 3.806 1.841 0.667 RESID 81 (I): 3.568 ----- 1.785 4.756 3.212 0.765 RESID 82 (Q): 2.682 ----- -1.242 2.876 5.020 -0.751 RESID 83 (A): -10.371 ----- -0.771 2.126 -2.698 -1.059 RESID 84 (Q): 0.107 ----- 0.979 3.151 3.862 -0.351 RESID 85 (C): 9.074 ----- 3.815 9.122 7.921 0.760 RESID 86 (A): -7.074 ----- ----- 6.504 -1.169 -1.795 RESID 87 (I): 0.179 ----- -0.742 0.974 -1.586 -0.362 RESID 88 (I): -7.249 ----- -1.293 4.300 -2.341 -3.447 RESID 89 (M): -5.805 ----- 3.590 4.608 0.117 -0.573 RESID 90 (F): 2.293 ----- 2.414 5.074 -3.385 0.598 RESID 91 (D): -0.369 ----- -0.359 7.488 1.261 -1.308 RESID 92 (V): -8.323 ----- -3.205 -0.382 6.304 -0.732 RESID 93 (T): 16.883 ----- 4.135 1.250 5.042 -0.500 RESID 94 (S): 5.796 ----- -10.892 4.275 -1.987 -0.306 RESID 95 (R): -15.438 ----- -1.848 -6.172 1.050 -0.971 RESID 96 (V): 5.598 ----- 0.288 2.208 -7.221 1.014 RESID 97 (T): -4.119 ----- 2.080 -2.369 1.400 0.390 RESID 98 (Y): -7.887 ----- -1.186 ----- ----- -0.068 RESID 99 (K): 5.015 ----- -0.145 -0.726 4.113 0.287 RESID 100 (N): -4.170 ----- -0.813 -1.675 -1.145 -1.984 RESID 101 (V): -2.835 ----- -1.345 -5.716 -2.226 -0.290 RESID 102 (P): ----- ----- -0.423 -2.712 -0.146 ----- RESID 103 (N): 7.967 ----- -1.793 -0.003 1.355 0.493 RESID 104 (W): 2.582 ----- -3.329 -1.311 5.212 0.252 RESID 105 (H): 3.728 ----- 3.289 ----- ----- -1.427 RESID 106 (R): 3.151 ----- 0.304 5.213 -1.741 -0.410 RESID 107 (D): -2.734 ----- -1.853 -2.545 0.715 1.169 RESID 108 (L): -6.495 ----- -2.293 1.159 7.301 -1.084 RESID 109 (V): 2.629 ----- -3.399 -2.233 1.734 0.943 RESID 110 (R): -6.122 ----- -1.744 -1.925 0.171 -0.846 RESID 111 (V): 1.066 ----- 0.735 -4.124 -0.054 -0.125 RESID 112 (C): -2.888 ----- -5.095 -1.958 6.723 -0.863 RESID 113 (E): -1.583 ----- 0.975 10.721 2.343 -0.964 RESID 114 (N): 7.906 ----- 0.236 -1.005 1.814 0.626 RESID 115 (I): -9.543 ----- 1.751 7.859 -0.792 1.446 RESID 116 (P): ----- ----- 0.308 -0.022 -2.841 ----- RESID 117 (I): -0.136 ----- -0.352 5.968 -3.532 -0.736 RESID 118 (V): -6.753 ----- 3.478 1.902 -3.010 0.106 RESID 119 (L): -7.513 ----- 1.915 -11.098 -4.852 -1.506 RESID 120 (C): -9.090 ----- 3.804 ----- ----- -0.907 RESID 121 (G): 4.393 ----- 3.717 -2.454 ----- -1.465 RESID 122 (N): -0.635 ----- 0.102 -2.289 -1.196 0.632 RESID 123 (K): 8.146 ----- -4.453 0.597 5.576 -0.881 RESID 124 (V): 11.076 ----- -0.868 0.195 11.189 1.005 RESID 125 (D): -0.282 ----- -0.455 -0.520 -0.105 -0.264 RESID 126 (I): -4.711 ----- 0.859 4.654 0.793 0.071 RESID 127 (K): -3.100 ----- -1.593 -0.047 3.234 -0.196 RESID 128 (D): -2.062 ----- 1.544 0.493 0.839 -0.973 RESID 129 (R): -4.589 ----- 1.025 -10.879 0.468 0.587 RESID 130 (K): -12.398 ----- -0.346 -0.768 2.783 -1.056 RESID 131 (V): -11.695 ----- 4.123 4.054 4.582 1.059 RESID 132 (K): -17.221 ----- -1.406 3.902 1.139 1.551 RESID 133 (A): 8.138 ----- ----- -3.714 -5.294 -2.442 RESID 134 (K): 0.645 ----- -0.597 -2.649 22.163 -1.638 RESID 135 (S): -4.092 ----- -1.310 -3.015 0.614 0.303 RESID 136 (I): 1.928 ----- -0.194 5.817 5.569 0.855 RESID 137 (V): -13.290 ----- 0.730 3.047 -0.272 -0.454 RESID 138 (F): -4.251 ----- -0.747 -3.925 0.220 0.625 RESID 139 (H): 5.138 ----- -1.002 8.529 6.931 -0.812 RESID 140 (R): 0.104 ----- -1.042 -0.691 9.876 1.180 RESID 141 (K): -4.238 ----- -4.521 -0.586 1.160 0.086 RESID 142 (K): -1.122 ----- 0.178 -4.019 2.614 1.399 RESID 143 (N): -3.832 ----- 0.822 -0.714 3.758 -0.402 RESID 144 (L): 1.637 ----- ----- 0.497 -1.373 -0.224 RESID 145 (Q): 1.544 ----- 2.602 1.580 -1.259 -1.157 RESID 146 (Y): -5.215 ----- 0.419 6.665 0.347 1.158 RESID 147 (Y): -1.386 ----- 3.991 1.825 -2.190 -0.243 RESID 148 (D): -2.283 ----- 1.349 0.258 -0.627 0.478 RESID 149 (I): 2.352 ----- 0.567 1.926 -3.252 0.159 RESID 150 (S): 1.010 ----- 1.183 4.959 -3.251 0.030 RESID 151 (A): -0.207 ----- -18.565 -1.288 3.332 1.636 RESID 152 (K): 3.037 ----- -3.681 1.215 2.256 0.903 RESID 153 (S): 24.974 ----- 2.875 4.133 1.497 1.242 RESID 154 (N): 2.875 ----- 1.834 -4.648 3.337 -1.024 RESID 155 (Y): -3.402 ----- 1.788 0.654 2.825 0.479 RESID 156 (N): 1.518 ----- -0.702 -1.442 2.495 -0.537 RESID 157 (F): 6.078 ----- -2.006 -3.208 0.874 -0.715 RESID 158 (E): -4.897 ----- -1.126 14.899 -0.901 -0.554 RESID 159 (K): -6.388 ----- 0.631 -7.512 3.449 -0.500 RESID 160 (P): ----- ----- -2.453 -1.390 1.141 ----- RESID 161 (F): 6.652 ----- -1.103 -1.860 2.531 0.749 RESID 162 (L): -9.119 ----- -2.551 -2.294 2.480 -0.427 RESID 163 (W): 2.045 ----- -0.895 0.754 -1.136 -0.970 RESID 164 (L): 0.926 ----- -3.120 3.343 4.383 1.289 RESID 165 (A): -3.507 ----- -13.782 -2.915 3.676 -0.622 RESID 166 (R): 4.563 ----- -2.786 -9.969 -0.673 0.633 RESID 167 (K): -7.597 ----- -3.034 -0.914 2.648 -0.528 RESID 168 (L): -4.740 ----- -1.291 -0.687 -0.240 -0.555 RESID 169 (I): 6.165 ----- 0.299 -0.008 3.606 0.281 RESID 170 (G): 6.668 ----- -11.322 -0.849 ----- -1.345 RESID 171 (D): -8.219 ----- 3.105 -0.151 -1.255 -0.739 RESID 172 (P): ----- ----- -0.417 -0.268 -0.435 ----- RESID 173 (N): -5.924 ----- 0.449 1.629 -3.092 -0.436 RESID 174 (L): -12.675 ----- 1.011 0.169 1.882 0.498 RESID 175 (E): 4.774 ----- 2.589 21.853 -5.342 0.993 RESID 176 (F): 13.413 ----- 3.306 0.769 4.636 1.475 RESID 177 (V): -3.335 ----- 2.969 3.224 0.067 -0.257 RESID 178 (A): -7.272 ----- 0.946 0.068 -3.265 -0.621 RESID 179 (M): 4.791 ----- 3.817 6.089 6.653 -0.711 RESID 180 (P): ----- ----- 1.773 2.452 -2.859 ----- RESID 181 (A): 6.790 ----- -2.130 6.219 1.596 0.466 RESID 182 (L): -0.092 ----- 0.394 0.011 1.102 0.052 RESID 183 (A): -7.678 ----- 2.971 7.746 5.042 0.280 RESID 184 (P): ----- ----- 2.049 2.516 -1.595 ----- RESID 185 (P): ----- ----- -0.924 0.341 3.120 ----- RESID 186 (E): -2.141 ----- 1.071 0.712 5.899 -0.416 RESID 187 (V): 1.752 ----- 3.288 1.158 1.256 0.439 RESID 188 (V): 2.226 ----- 1.861 5.080 -0.890 0.312 RESID 189 (M): 4.324 ----- 2.063 -0.614 1.702 -0.710 RESID 190 (D): -4.116 ----- -0.135 -5.033 1.258 -1.429 RESID 191 (P): ----- ----- -0.845 -1.369 -0.185 ----- RESID 192 (A): -9.939 ----- ----- 0.086 1.046 -1.006 RESID 193 (L): 0.676 ----- -1.382 0.536 0.766 0.523 RESID 194 (A): 1.681 ----- -11.327 2.118 -2.854 0.230 RESID 195 (A): -1.615 ----- -5.306 3.239 2.049 -0.460 RESID 196 (Q): -11.895 ----- -1.763 -1.664 1.243 0.111 RESID 197 (Y): 0.972 ----- 0.093 -4.369 5.637 -0.065 RESID 198 (E): -8.256 ----- -2.230 -6.286 1.226 -0.443 RESID 199 (H): 0.027 ----- 1.583 -1.051 5.300 0.552 RESID 200 (D): 4.633 ----- -2.172 1.443 -0.827 0.347 RESID 201 (L): -4.009 ----- -0.293 3.458 -0.654 -0.426 RESID 202 (E): -0.625 ----- -2.743 -2.364 1.291 0.869 RESID 203 (V): 11.826 ----- 0.908 -1.496 -2.950 1.708 RESID 204 (A): -12.968 ----- -2.821 -0.009 -0.260 0.592 RESID 205 (Q): 6.815 ----- -0.834 -1.005 4.715 0.162 RESID 206 (T): 5.738 ----- 0.831 2.897 1.305 -0.227 RESID 207 (T): -7.069 ----- 2.754 1.178 3.208 -0.083 RESID 208 (A): -13.666 ----- -7.929 3.574 2.752 -1.046 RESID 209 (L): -6.030 ----- 1.244 6.994 3.143 -0.576 RESID 210 (P): ----- ----- 1.315 0.626 0.284 ----- RESID 211 (D): 1.723 ----- -0.605 2.929 -0.223 0.358 RESID 212 (E): 4.297 ----- 0.145 -2.835 -0.138 -0.171 RESID 213 (D): 8.869 ----- 0.436 8.263 9.341 0.290 RESID 214 (D): -9.270 ----- 2.094 -2.898 -1.113 -0.836 RESID 215 (D): 7.861 ----- -0.088 -1.627 -1.042 0.131 DATA CS_STAT_INFO N RMS: 7.813 ppm Count: 201 Average Difference: 0.344 +/- 7.825 ppm DATA CS_STAT_INFO HA RMS: 0.445 ppm Count: 28 Average Difference: -0.313 +/- 0.322 ppm DATA CS_STAT_INFO C RMS: 3.486 ppm Count: 209 Average Difference: 0.133 +/- 3.491 ppm DATA CS_STAT_INFO CA RMS: 4.562 ppm Count: 210 Average Difference: -0.680 +/- 4.522 ppm DATA CS_STAT_INFO CB RMS: 4.070 ppm Count: 194 Average Difference: -0.942 +/- 3.970 ppm DATA CS_STAT_INFO HN RMS: 0.948 ppm Count: 201 Average Difference: 0.085 +/- 0.947 ppm ############################################################################ For conformer 3: Atom Original Corrected SPARTA Difference RESID 2 (A): N 131.228 131.228 123.692 7.536 RESID 2 (A): C 187.031 187.031 179.385 7.646 RESID 2 (A): CA 53.407 53.407 55.145 -1.738 RESID 2 (A): CB 20.027 20.027 18.230 1.798 RESID 2 (A): H 10.644 10.644 8.361 2.283 RESID 3 (A): N 124.521 124.521 120.710 3.811 RESID 3 (A): C 176.566 176.566 179.325 -2.759 RESID 3 (A): CA 49.894 49.894 54.522 -4.628 RESID 3 (A): CB 18.270 18.270 18.100 0.170 RESID 3 (A): H 8.669 8.669 8.009 0.660 RESID 4 (Q): N 118.080 118.080 117.008 1.072 RESID 4 (Q): C 176.273 176.273 177.101 -0.828 RESID 4 (Q): CA 54.579 54.579 57.022 -2.443 RESID 4 (Q): CB 27.054 27.054 29.085 -2.031 RESID 4 (Q): H 8.919 8.919 8.055 0.864 RESID 5 (G): N 121.002 121.002 105.923 15.079 RESID 5 (G): C 181.877 181.877 173.641 8.236 RESID 5 (G): CA 45.794 45.794 44.936 0.858 RESID 5 (G): H 8.082 8.082 8.055 0.027 RESID 6 (E): N 129.435 129.435 122.034 7.401 RESID 6 (E): C 176.566 176.566 174.880 1.686 RESID 6 (E): CA 56.336 56.336 52.955 3.381 RESID 6 (E): CB 28.811 28.811 30.476 -1.665 RESID 6 (E): H 9.267 9.267 7.815 1.452 RESID 7 (P): C 176.566 176.566 176.590 -0.024 RESID 7 (P): CA 63.672 63.672 65.318 -1.646 RESID 7 (P): CB 31.146 31.146 32.148 -1.002 RESID 8 (Q): N 112.502 112.502 114.717 -2.215 RESID 8 (Q): C 177.445 177.445 175.575 1.870 RESID 8 (Q): CA 50.479 50.479 56.076 -5.597 RESID 8 (Q): CB 28.811 28.811 31.166 -2.355 RESID 8 (Q): H 6.220 6.220 8.183 -1.963 RESID 9 (V): N 117.416 117.416 119.074 -1.658 RESID 9 (V): C 178.324 178.324 173.810 4.514 RESID 9 (V): CA 63.363 63.363 60.884 2.479 RESID 9 (V): CB 34.668 34.668 34.266 0.402 RESID 9 (V): H 6.561 6.561 7.852 -1.291 RESID 10 (Q): N 113.896 113.896 123.303 -9.407 RESID 10 (Q): C 176.273 176.273 174.426 1.847 RESID 10 (Q): CA 55.164 55.164 53.997 1.167 RESID 10 (Q): CB 28.226 28.226 32.229 -4.003 RESID 10 (Q): H 7.847 7.847 8.130 -0.283 RESID 11 (F): N 118.744 118.744 124.408 -5.664 RESID 11 (F): C 176.566 176.566 174.669 1.897 RESID 11 (F): CA 59.849 59.849 56.503 3.346 RESID 11 (F): CB 41.109 41.109 42.177 -1.068 RESID 11 (F): H 8.262 8.262 9.115 -0.853 RESID 12 (K): N 129.437 129.437 126.037 3.400 RESID 12 (K): C 178.609 178.609 174.810 3.799 RESID 12 (K): CA 57.808 57.808 55.775 2.033 RESID 12 (K): H 10.015 10.015 8.782 1.233 RESID 13 (L): N 112.103 112.103 129.774 -17.671 RESID 13 (L): C 177.738 177.738 174.538 3.200 RESID 13 (L): CA 54.579 54.579 53.567 1.012 RESID 13 (L): CB 42.866 42.866 45.576 -2.710 RESID 13 (L): H 6.905 6.905 8.810 -1.905 RESID 14 (V): N 127.310 127.310 127.691 -0.381 RESID 14 (V): C 175.393 175.393 174.151 1.242 RESID 14 (V): CA 70.976 70.976 61.862 9.114 RESID 14 (V): CB 28.811 28.811 33.325 -4.514 RESID 14 (V): H 8.305 8.305 8.774 -0.469 RESID 15 (L): N 128.640 128.640 130.957 -2.317 RESID 15 (L): C 177.730 177.730 175.044 2.686 RESID 15 (L): CA 55.758 55.758 53.293 2.465 RESID 15 (L): H 7.718 7.718 9.019 -1.301 RESID 16 (V): N 121.267 121.267 121.609 -0.342 RESID 16 (V): C 178.324 178.324 174.283 4.041 RESID 16 (V): CA 63.363 63.363 58.641 4.722 RESID 16 (V): CB 35.839 35.839 35.182 0.657 RESID 16 (V): H 8.935 8.935 8.864 0.071 RESID 17 (G): N 127.908 127.908 106.898 21.010 RESID 17 (G): C 174.514 174.514 172.745 1.769 RESID 17 (G): CA 42.281 42.281 44.488 -2.207 RESID 17 (G): H 9.682 9.682 6.749 2.933 RESID 18 (D): N 125.054 125.054 120.733 4.321 RESID 18 (D): C 176.851 176.851 177.601 -0.750 RESID 18 (D): CA 57.515 57.515 54.678 2.837 RESID 18 (D): CB 46.090 46.090 41.867 4.223 RESID 18 (D): H 8.282 8.282 8.303 -0.021 RESID 19 (G): N 120.670 120.670 106.073 14.597 RESID 19 (G): C 178.324 178.324 175.012 3.312 RESID 19 (G): CA 42.281 42.281 45.535 -3.253 RESID 19 (G): H 8.825 8.825 8.554 0.271 RESID 20 (G): N 129.369 129.369 112.522 16.847 RESID 20 (G): C 174.221 174.221 175.560 -1.339 RESID 20 (G): CA 41.695 41.695 45.760 -4.065 RESID 20 (G): H 8.477 8.477 8.424 0.053 RESID 21 (T): N 122.199 122.199 114.007 8.192 RESID 21 (T): C 171.291 171.291 175.130 -3.839 RESID 21 (T): CA 61.914 61.914 64.616 -2.702 RESID 21 (T): CB 65.137 65.137 69.204 -4.067 RESID 21 (T): H 8.059 8.059 7.595 0.464 RESID 22 (G): N 112.369 112.369 108.102 4.267 RESID 22 (G): C 184.807 184.807 175.489 9.318 RESID 22 (G): CA 45.209 45.209 45.064 0.145 RESID 22 (G): H 6.772 6.772 8.276 -1.504 RESID 23 (K): N 122.066 122.066 120.590 1.476 RESID 23 (K): C 178.589 178.589 178.220 0.369 RESID 23 (K): CA 58.101 58.101 59.915 -1.814 RESID 23 (K): CB 40.230 40.230 32.412 7.818 RESID 23 (K): H 7.441 7.441 7.592 -0.151 RESID 24 (T): N 114.627 114.627 114.097 0.530 RESID 24 (T): C 178.324 178.324 176.793 1.531 RESID 24 (T): CA 62.192 62.192 67.159 -4.967 RESID 24 (T): CB 71.562 71.562 68.149 3.413 RESID 24 (T): H 8.469 8.469 8.524 -0.055 RESID 25 (T): N 110.377 110.377 119.460 -9.083 RESID 25 (T): C 178.324 178.324 176.162 2.162 RESID 25 (T): CA 64.534 64.534 67.288 -2.754 RESID 25 (T): CB 71.562 71.562 68.460 3.102 RESID 25 (T): H 8.415 8.415 8.184 0.231 RESID 26 (F): N 114.295 114.295 123.166 -8.871 RESID 26 (F): C 174.514 174.514 176.836 -2.322 RESID 26 (F): CA 53.407 53.407 61.957 -8.550 RESID 26 (F): CB 40.524 40.524 38.921 1.603 RESID 26 (F): H 7.707 7.707 8.473 -0.766 RESID 27 (V): N 123.525 123.525 119.787 3.738 RESID 27 (V): C 178.031 178.031 177.599 0.432 RESID 27 (V): CA 67.462 67.462 67.202 0.260 RESID 27 (V): CB 29.397 29.397 31.486 -2.089 RESID 27 (V): H 6.967 6.967 8.227 -1.260 RESID 28 (K): N 114.228 114.228 119.903 -5.675 RESID 28 (K): C 176.566 176.566 178.297 -1.731 RESID 28 (K): CA 58.092 58.092 59.685 -1.593 RESID 28 (K): CB 34.082 34.082 32.134 1.948 RESID 28 (K): H 7.429 7.429 8.187 -0.758 RESID 29 (R): N 112.037 112.037 119.307 -7.270 RESID 29 (R): C 174.221 174.221 179.068 -4.847 RESID 29 (R): CA 72.147 72.147 58.676 13.471 RESID 29 (R): CB 37.596 37.596 29.378 8.218 RESID 29 (R): H 6.803 6.803 7.803 -1.000 RESID 30 (H): N 122.396 122.396 118.042 4.354 RESID 30 (H): C 172.170 172.170 177.242 -5.072 RESID 30 (H): CA 51.651 51.651 58.902 -7.251 RESID 30 (H): CB 30.568 30.568 29.619 0.949 RESID 30 (H): H 7.644 7.644 7.506 0.138 RESID 31 (L): N 110.377 110.377 119.435 -9.058 RESID 31 (L): C 178.031 178.031 178.682 -0.651 RESID 31 (L): CA 55.164 55.164 57.565 -2.401 RESID 31 (L): CB 42.281 42.281 42.182 0.099 RESID 31 (L): H 7.894 7.894 8.147 -0.253 RESID 32 (T): N 121.468 121.468 106.138 15.330 RESID 32 (T): C 170.705 170.705 175.551 -4.846 RESID 32 (T): CA 63.668 63.668 61.806 1.861 RESID 32 (T): CB 75.679 75.679 70.745 4.934 RESID 32 (T): H 8.372 8.372 8.216 0.156 RESID 33 (G): N 127.841 127.841 109.970 17.871 RESID 33 (G): C 161.914 161.914 174.126 -12.212 RESID 33 (G): CA 42.866 42.866 44.716 -1.850 RESID 33 (G): H 9.662 9.662 7.724 1.938 RESID 34 (E): N 120.871 120.871 120.642 0.229 RESID 34 (E): C 174.508 174.508 175.054 -0.546 RESID 34 (E): CA 58.101 58.101 55.436 2.665 RESID 34 (E): CB 34.371 34.371 30.796 3.575 RESID 34 (E): H 8.211 8.211 7.474 0.737 RESID 35 (F): N 111.838 111.838 118.695 -6.857 RESID 35 (F): C 174.221 174.221 175.006 -0.785 RESID 35 (F): CA 49.308 49.308 56.810 -7.502 RESID 35 (F): CB 41.695 41.695 40.605 1.091 RESID 35 (F): H 6.772 6.772 8.536 -1.764 RESID 36 (E): N 120.672 120.672 126.031 -5.359 RESID 36 (E): C 175.686 175.686 175.945 -0.259 RESID 36 (E): CA 58.980 58.980 55.499 3.481 RESID 36 (E): CB 48.140 48.140 29.987 18.153 RESID 36 (E): H 8.293 8.293 8.663 -0.370 RESID 37 (K): N 118.810 118.810 126.430 -7.620 RESID 37 (K): C 172.756 172.756 177.230 -4.474 RESID 37 (K): CA 48.137 48.137 57.215 -9.078 RESID 37 (K): CB 37.010 37.010 33.442 3.568 RESID 37 (K): H 8.509 8.509 8.642 -0.133 RESID 38 (K): N 108.052 108.052 120.545 -12.493 RESID 38 (K): C 176.273 176.273 175.821 0.452 RESID 38 (K): CA 59.849 59.849 55.934 3.914 RESID 38 (K): CB 34.668 34.668 32.924 1.744 RESID 38 (K): H 7.715 7.715 7.685 0.030 RESID 39 (Y): N 108.650 108.650 123.706 -15.056 RESID 39 (Y): C 175.686 175.686 175.645 0.041 RESID 39 (Y): CA 61.020 61.020 58.118 2.901 RESID 39 (Y): CB 36.424 36.424 39.141 -2.717 RESID 39 (Y): H 7.362 7.362 8.581 -1.219 RESID 40 (V): N 117.947 117.947 124.902 -6.955 RESID 40 (V): C 175.393 175.393 175.595 -0.202 RESID 40 (V): CA 61.020 61.020 61.528 -0.507 RESID 40 (V): CB 31.154 31.154 33.468 -2.314 RESID 40 (V): H 8.442 8.442 8.557 -0.115 RESID 42 (T): N 117.150 117.150 116.982 0.168 RESID 42 (T): C 178.910 178.910 173.979 4.931 RESID 42 (T): CA 60.435 60.435 62.595 -2.160 RESID 42 (T): CB 70.390 70.390 69.780 0.610 RESID 42 (T): H 8.192 8.192 8.336 -0.144 RESID 43 (L): N 119.209 119.209 128.086 -8.877 RESID 43 (L): C 174.807 174.807 177.929 -3.122 RESID 43 (L): CA 57.507 57.507 54.234 3.273 RESID 43 (L): CB 42.866 42.866 42.742 0.124 RESID 43 (L): H 9.260 9.260 8.470 0.790 RESID 44 (G): N 114.361 114.361 114.383 -0.022 RESID 44 (G): C 178.910 178.910 172.730 6.180 RESID 44 (G): CA 54.579 54.579 46.015 8.564 RESID 44 (G): H 6.979 6.979 8.566 -1.587 RESID 45 (V): N 110.244 110.244 123.962 -13.718 RESID 45 (V): C 174.807 174.807 174.440 0.367 RESID 45 (V): CA 63.363 63.363 59.878 3.485 RESID 45 (V): CB 17.099 17.099 34.898 -17.799 RESID 45 (V): H 8.309 8.309 8.156 0.153 RESID 46 (E): N 130.365 130.365 129.054 1.311 RESID 46 (E): C 176.859 176.859 174.431 2.428 RESID 46 (E): CA 55.164 55.164 54.703 0.461 RESID 46 (E): CB 32.325 32.325 32.322 0.003 RESID 46 (E): H 9.741 9.741 8.858 0.883 RESID 47 (V): N 125.254 125.254 124.929 0.325 RESID 47 (V): C 175.661 175.661 175.783 -0.122 RESID 47 (V): CA 63.375 63.375 61.524 1.851 RESID 47 (V): CB 37.300 37.300 32.283 5.017 RESID 47 (V): H 8.250 8.250 8.299 -0.049 RESID 48 (H): N 129.236 129.236 127.732 1.504 RESID 48 (H): C 169.240 169.240 173.209 -3.969 RESID 48 (H): CA 49.894 49.894 53.543 -3.649 RESID 48 (H): CB 27.640 27.640 32.091 -4.451 RESID 48 (H): H 10.390 10.390 9.307 1.083 RESID 49 (P): C 176.273 176.273 175.688 0.585 RESID 49 (P): CA 62.500 62.500 62.532 -0.032 RESID 49 (P): CB 29.974 29.974 32.420 -2.446 RESID 50 (L): N 119.408 119.408 127.305 -7.897 RESID 50 (L): C 177.445 177.445 174.556 2.889 RESID 50 (L): CA 59.264 59.264 54.557 4.707 RESID 50 (L): CB 42.281 42.281 45.631 -3.350 RESID 50 (L): H 7.492 7.492 9.070 -1.578 RESID 51 (V): N 117.947 117.947 126.277 -8.330 RESID 51 (V): C 174.514 174.514 175.439 -0.925 RESID 51 (V): CA 64.534 64.534 61.188 3.346 RESID 51 (V): CB 37.010 37.010 33.297 3.713 RESID 51 (V): H 7.715 7.715 8.111 -0.396 RESID 52 (F): N 124.853 124.853 126.175 -1.322 RESID 52 (F): C 175.100 175.100 174.212 0.888 RESID 52 (F): CA 56.336 56.336 56.708 -0.372 RESID 52 (F): CB 39.938 39.938 42.875 -2.937 RESID 52 (F): H 8.935 8.935 9.172 -0.237 RESID 53 (H): N 120.603 120.603 122.123 -1.520 RESID 53 (H): C 170.119 170.119 175.004 -4.885 RESID 53 (H): CA 55.164 55.164 55.318 -0.154 RESID 53 (H): CB 30.568 30.568 31.253 -0.685 RESID 53 (H): H 8.356 8.356 9.319 -0.963 RESID 54 (T): N 112.634 112.634 115.768 -3.134 RESID 54 (T): C 178.910 178.910 176.234 2.676 RESID 54 (T): CA 63.363 63.363 59.339 4.024 RESID 54 (T): CB 72.733 72.733 71.647 1.086 RESID 54 (T): H 7.574 7.574 8.399 -0.825 RESID 55 (N): N 131.095 131.095 120.200 10.895 RESID 55 (N): C 176.273 176.273 176.256 0.017 RESID 55 (N): CA 51.065 51.065 55.650 -4.585 RESID 55 (N): CB 37.010 37.010 38.342 -1.332 RESID 55 (N): H 10.187 10.187 8.574 1.613 RESID 56 (R): N 122.064 122.064 118.029 4.035 RESID 56 (R): C 175.100 175.100 176.262 -1.162 RESID 56 (R): CA 61.606 61.606 55.235 6.371 RESID 56 (R): CB 32.911 32.911 29.981 2.930 RESID 56 (R): H 7.433 7.433 7.597 -0.164 RESID 57 (G): N 127.709 127.709 109.339 18.370 RESID 57 (G): C 175.979 175.979 171.983 3.996 RESID 57 (G): CA 42.281 42.281 44.351 -2.070 RESID 57 (G): H 9.373 9.373 7.797 1.576 RESID 58 (P): C 177.152 177.152 176.262 0.890 RESID 58 (P): CA 65.137 65.137 62.882 2.255 RESID 58 (P): CB 29.095 29.095 32.297 -3.202 RESID 59 (I): N 128.638 128.638 114.997 13.641 RESID 59 (I): C 175.979 175.979 173.874 2.105 RESID 59 (I): CA 65.120 65.120 59.361 5.759 RESID 59 (I): CB 40.524 40.524 42.359 -1.835 RESID 59 (I): H 8.794 8.794 8.893 -0.099 RESID 60 (K): N 127.711 127.711 123.972 3.739 RESID 60 (K): C 178.902 178.902 174.842 4.060 RESID 60 (K): CA 74.293 74.293 54.442 19.851 RESID 60 (K): CB 32.027 32.027 36.462 -4.435 RESID 60 (K): H 8.024 8.024 8.605 -0.581 RESID 61 (F): N 120.670 120.670 124.810 -4.140 RESID 61 (F): C 175.393 175.393 175.122 0.271 RESID 61 (F): CA 57.507 57.507 57.104 0.403 RESID 61 (F): CB 41.109 41.109 40.928 0.180 RESID 61 (F): H 7.515 7.515 9.625 -2.110 RESID 62 (N): N 124.789 124.789 123.999 0.790 RESID 62 (N): C 173.336 173.336 174.609 -1.273 RESID 62 (N): CA 53.121 53.121 52.191 0.930 RESID 62 (N): CB 41.695 41.695 39.218 2.477 RESID 62 (N): H 8.325 8.325 9.276 -0.951 RESID 63 (V): N 106.127 106.127 127.468 -21.341 RESID 63 (V): C 175.100 175.100 175.457 -0.357 RESID 63 (V): CA 61.020 61.020 63.091 -2.071 RESID 63 (V): CB 31.154 31.154 32.714 -1.560 RESID 63 (V): H 8.113 8.113 9.075 -0.962 RESID 64 (W): N 129.302 129.302 129.689 -0.387 RESID 64 (W): C 177.152 177.152 175.324 1.828 RESID 64 (W): CA 59.264 59.264 54.512 4.752 RESID 64 (W): CB 29.397 29.397 29.692 -0.295 RESID 64 (W): H 8.970 8.970 9.559 -0.589 RESID 65 (D): N 119.607 119.607 126.189 -6.582 RESID 65 (D): C 174.514 174.514 175.682 -1.168 RESID 65 (D): CA 55.164 55.164 53.286 1.878 RESID 65 (D): CB 41.109 41.109 42.978 -1.869 RESID 65 (D): H 8.638 8.638 9.134 -0.496 RESID 66 (T): N 122.463 122.463 117.420 5.043 RESID 66 (T): C 178.617 178.617 174.262 4.355 RESID 66 (T): CA 68.048 68.048 59.588 8.460 RESID 66 (T): CB 71.562 71.562 71.025 0.537 RESID 66 (T): H 8.293 8.293 8.166 0.127 RESID 67 (A): N 104.865 104.865 123.049 -18.184 RESID 67 (A): C 177.738 177.738 177.958 -0.220 RESID 67 (A): CA 48.722 48.722 51.549 -2.827 RESID 67 (A): CB 14.171 14.171 20.087 -5.916 RESID 67 (A): H 8.657 8.657 8.055 0.602 RESID 68 (G): N 115.357 115.357 109.979 5.378 RESID 68 (G): C 189.533 189.533 176.028 13.505 RESID 68 (G): CA 45.209 45.209 45.992 -0.783 RESID 68 (G): H 10.969 10.969 8.945 2.024 RESID 69 (Q): N 122.730 122.730 119.989 2.741 RESID 69 (Q): C 174.508 174.508 176.259 -1.751 RESID 69 (Q): CA 58.394 58.394 57.478 0.916 RESID 69 (Q): CB 31.441 31.441 28.782 2.659 RESID 69 (Q): H 8.336 8.336 8.509 -0.173 RESID 70 (E): N 114.826 114.826 120.292 -5.466 RESID 70 (E): C 176.273 176.273 175.595 0.678 RESID 70 (E): CA 57.507 57.507 56.468 1.039 RESID 70 (E): CB 28.811 28.811 30.331 -1.520 RESID 70 (E): H 9.651 9.651 8.328 1.323 RESID 71 (K): N 116.685 116.685 123.019 -6.334 RESID 71 (K): C 175.979 175.979 176.373 -0.394 RESID 71 (K): CA 48.722 48.722 56.083 -7.361 RESID 71 (K): CB 37.010 37.010 32.903 4.107 RESID 71 (K): H 8.712 8.712 8.272 0.440 RESID 72 (F): N 114.959 114.959 120.679 -5.720 RESID 72 (F): C 175.686 175.686 176.969 -1.283 RESID 72 (F): CA 56.336 56.336 58.701 -2.365 RESID 72 (F): CB 36.424 36.424 38.772 -2.348 RESID 72 (F): H 7.965 7.965 8.020 -0.055 RESID 73 (G): N 117.084 117.084 111.926 5.158 RESID 73 (G): C 168.068 168.068 174.469 -6.401 RESID 73 (G): CA 42.281 42.281 45.056 -2.775 RESID 73 (G): H 7.609 7.609 7.862 -0.253 RESID 74 (G): N 120.537 120.537 108.300 12.237 RESID 74 (G): C 174.514 174.514 176.357 -1.843 RESID 74 (G): CA 44.037 44.037 46.436 -2.399 RESID 74 (G): H 9.326 9.326 8.692 0.634 RESID 75 (L): N 127.177 127.177 121.636 5.541 RESID 75 (L): C 178.617 178.617 178.211 0.406 RESID 75 (L): CA 53.407 53.407 57.077 -3.670 RESID 75 (L): CB 42.281 42.281 41.735 0.546 RESID 75 (L): H 7.628 7.628 7.804 -0.176 RESID 76 (R): N 116.486 116.486 116.372 0.114 RESID 76 (R): C 176.859 176.859 176.781 0.078 RESID 76 (R): CA 59.264 59.264 56.125 3.139 RESID 76 (R): CB 31.154 31.154 29.803 1.351 RESID 76 (R): H 7.143 7.143 7.488 -0.345 RESID 77 (D): N 129.236 129.236 121.078 8.158 RESID 77 (D): C 177.152 177.152 177.951 -0.799 RESID 77 (D): CA 52.822 52.822 57.621 -4.799 RESID 77 (D): CB 41.695 41.695 40.427 1.268 RESID 77 (D): H 8.947 8.947 7.592 1.355 RESID 78 (G): N 127.244 127.244 107.524 19.720 RESID 78 (G): C 173.928 173.928 176.434 -2.506 RESID 78 (G): CA 44.623 44.623 47.176 -2.553 RESID 78 (G): H 8.219 8.219 8.575 -0.356 RESID 79 (Y): N 120.537 120.537 119.094 1.443 RESID 79 (Y): C 176.273 176.273 177.635 -1.362 RESID 79 (Y): CA 58.678 58.678 59.600 -0.922 RESID 79 (Y): CB 40.524 40.524 38.107 2.417 RESID 79 (Y): H 8.563 8.563 7.486 1.077 RESID 80 (Y): N 122.132 122.132 118.234 3.898 RESID 80 (Y): C 175.979 175.979 175.936 0.043 RESID 80 (Y): CA 62.203 62.203 59.561 2.642 RESID 80 (Y): CB 41.988 41.988 39.527 2.461 RESID 80 (Y): H 8.254 8.254 7.595 0.659 RESID 81 (I): N 120.072 120.072 120.841 -0.769 RESID 81 (I): C 177.445 177.445 175.927 1.518 RESID 81 (I): CA 67.462 67.462 63.700 3.761 RESID 81 (I): CB 41.109 41.109 37.944 3.165 RESID 81 (I): H 8.837 8.837 8.326 0.511 RESID 82 (Q): N 121.601 121.601 119.863 1.738 RESID 82 (Q): C 173.342 173.342 174.436 -1.094 RESID 82 (Q): CA 59.859 59.859 56.643 3.216 RESID 82 (Q): CB 30.855 30.855 25.579 5.276 RESID 82 (Q): H 8.184 8.184 9.013 -0.829 RESID 83 (A): N 109.713 109.713 120.264 -10.551 RESID 83 (A): C 175.979 175.979 176.950 -0.971 RESID 83 (A): CA 54.579 54.579 52.458 2.121 RESID 83 (A): CB 16.513 16.513 19.336 -2.823 RESID 83 (A): H 6.306 6.306 7.450 -1.144 RESID 84 (Q): N 121.203 121.203 120.825 0.378 RESID 84 (Q): C 177.144 177.144 176.036 1.108 RESID 84 (Q): CA 60.152 60.152 56.739 3.413 RESID 84 (Q): CB 34.957 34.957 31.350 3.607 RESID 84 (Q): H 8.180 8.180 8.537 -0.357 RESID 85 (C): N 120.605 120.605 111.977 8.628 RESID 85 (C): C 176.566 176.566 172.732 3.834 RESID 85 (C): CA 65.430 65.430 56.237 9.193 RESID 85 (C): CB 39.644 39.644 31.886 7.758 RESID 85 (C): H 8.364 8.364 7.715 0.649 RESID 86 (A): N 114.295 114.295 121.482 -7.187 RESID 86 (A): CA 57.507 57.507 50.947 6.560 RESID 86 (A): CB 21.784 21.784 22.909 -1.125 RESID 86 (A): H 6.897 6.897 8.649 -1.752 RESID 87 (I): N 120.670 120.670 120.486 0.184 RESID 87 (I): C 173.928 173.928 174.580 -0.652 RESID 87 (I): CA 61.020 61.020 59.982 1.038 RESID 87 (I): CB 39.938 39.938 41.578 -1.640 RESID 87 (I): H 8.282 8.282 8.631 -0.349 RESID 88 (I): N 120.205 120.205 127.383 -7.178 RESID 88 (I): C 173.635 173.635 174.868 -1.233 RESID 88 (I): CA 64.534 64.534 60.222 4.312 RESID 88 (I): CB 37.596 37.596 39.892 -2.296 RESID 88 (I): H 5.528 5.528 8.911 -3.383 RESID 89 (M): N 120.472 120.472 126.303 -5.831 RESID 89 (M): C 178.617 178.617 175.066 3.551 RESID 89 (M): CA 58.980 58.980 54.303 4.677 RESID 89 (M): CB 34.957 34.957 34.911 0.046 RESID 89 (M): H 8.176 8.176 8.712 -0.536 RESID 90 (F): N 121.134 121.134 118.675 2.459 RESID 90 (F): C 175.393 175.393 172.992 2.401 RESID 90 (F): CA 60.435 60.435 55.333 5.102 RESID 90 (F): CB 38.767 38.767 42.106 -3.339 RESID 90 (F): H 9.334 9.334 8.704 0.630 RESID 91 (D): N 120.273 120.273 120.765 -0.492 RESID 91 (D): C 177.730 177.730 178.117 -0.387 RESID 91 (D): CA 59.859 59.859 52.355 7.504 RESID 91 (D): CB 44.039 44.039 42.697 1.342 RESID 91 (D): H 7.597 7.597 8.896 -1.299 RESID 92 (V): N 115.158 115.158 123.485 -8.327 RESID 92 (V): C 173.342 173.342 176.544 -3.202 RESID 92 (V): CA 64.534 64.534 64.960 -0.426 RESID 92 (V): CB 37.596 37.596 31.325 6.271 RESID 92 (V): H 7.738 7.738 8.502 -0.764 RESID 93 (T): N 127.179 127.179 110.109 17.070 RESID 93 (T): C 178.902 178.902 174.689 4.213 RESID 93 (T): CA 64.254 64.254 62.841 1.413 RESID 93 (T): CB 74.215 74.215 69.150 5.065 RESID 93 (T): H 7.636 7.636 8.189 -0.553 RESID 94 (S): N 122.263 122.263 116.499 5.764 RESID 94 (S): C 163.965 163.965 174.910 -10.945 RESID 94 (S): CA 59.849 59.849 55.486 4.362 RESID 94 (S): CB 62.192 62.192 64.160 -1.968 RESID 94 (S): H 7.628 7.628 7.919 -0.291 RESID 95 (R): N 113.099 113.099 128.672 -15.573 RESID 95 (R): C 176.273 176.273 177.872 -1.599 RESID 95 (R): CA 53.407 53.407 59.690 -6.282 RESID 95 (R): CB 31.154 31.154 30.007 1.147 RESID 95 (R): H 8.102 8.102 9.065 -0.963 RESID 96 (V): N 124.787 124.787 118.869 5.918 RESID 96 (V): C 178.031 178.031 177.717 0.314 RESID 96 (V): CA 68.634 68.634 66.395 2.239 RESID 96 (V): CB 24.126 24.126 31.395 -7.269 RESID 96 (V): H 9.146 9.146 8.146 1.000 RESID 97 (T): N 111.970 111.970 116.048 -4.078 RESID 97 (T): C 178.031 178.031 175.952 2.079 RESID 97 (T): CA 63.949 63.949 66.332 -2.383 RESID 97 (T): CB 70.390 70.390 68.997 1.393 RESID 97 (T): H 7.984 7.984 7.615 0.369 RESID 98 (Y): N 113.232 113.232 121.092 -7.860 RESID 98 (Y): C 176.273 176.273 177.519 -1.246 RESID 98 (Y): H 7.605 7.605 7.771 -0.166 RESID 99 (K): N 123.726 123.726 118.656 5.070 RESID 99 (K): C 178.316 178.316 178.310 0.006 RESID 99 (K): CA 58.691 58.691 59.373 -0.682 RESID 99 (K): CB 36.127 36.127 32.053 4.074 RESID 99 (K): H 8.360 8.360 8.045 0.315 RESID 100 (N): N 111.970 111.970 115.967 -3.997 RESID 100 (N): C 175.979 175.979 176.617 -0.638 RESID 100 (N): CA 53.407 53.407 54.488 -1.081 RESID 100 (N): CB 37.596 37.596 38.476 -0.880 RESID 100 (N): H 5.778 5.778 7.679 -1.901 RESID 101 (V): N 118.877 118.877 121.890 -3.013 RESID 101 (V): C 173.635 173.635 174.984 -1.349 RESID 101 (V): CA 62.777 62.777 68.438 -5.661 RESID 101 (V): CB 27.054 27.054 29.206 -2.152 RESID 101 (V): H 7.370 7.370 7.544 -0.174 RESID 102 (P): C 176.566 176.566 177.221 -0.655 RESID 102 (P): CA 62.500 62.500 65.392 -2.892 RESID 102 (P): CB 30.853 30.853 31.145 -0.292 RESID 103 (N): N 122.728 122.728 114.996 7.732 RESID 103 (N): C 175.100 175.100 176.798 -1.698 RESID 103 (N): CA 54.579 54.579 54.823 -0.244 RESID 103 (N): CB 38.767 38.767 37.246 1.521 RESID 103 (N): H 7.879 7.879 7.445 0.434 RESID 104 (W): N 122.730 122.730 119.732 2.998 RESID 104 (W): C 174.215 174.215 176.765 -2.550 RESID 104 (W): CA 59.273 59.273 60.452 -1.179 RESID 104 (W): CB 35.250 35.250 30.031 5.219 RESID 104 (W): H 7.902 7.902 7.833 0.069 RESID 105 (H): N 120.869 120.869 117.144 3.725 RESID 105 (H): C 177.738 177.738 174.423 3.315 RESID 105 (H): H 6.971 6.971 8.434 -1.463 RESID 106 (R): N 126.314 126.314 122.738 3.576 RESID 106 (R): C 176.566 176.566 176.504 0.062 RESID 106 (R): CA 62.777 62.777 57.579 5.198 RESID 106 (R): CB 29.397 29.397 31.147 -1.750 RESID 106 (R): H 7.507 7.507 7.910 -0.403 RESID 107 (D): N 119.076 119.076 122.164 -3.088 RESID 107 (D): C 176.566 176.566 178.636 -2.070 RESID 107 (D): CA 55.164 55.164 57.577 -2.413 RESID 107 (D): CB 41.695 41.695 40.748 0.947 RESID 107 (D): H 9.076 9.076 7.883 1.193 RESID 108 (L): N 113.299 113.299 119.535 -6.236 RESID 108 (L): C 176.273 176.273 178.265 -1.992 RESID 108 (L): CA 59.264 59.264 58.208 1.056 RESID 108 (L): CB 48.722 48.722 41.191 7.531 RESID 108 (L): H 6.725 6.725 7.874 -1.149 RESID 109 (V): N 121.267 121.267 114.189 7.078 RESID 109 (V): C 175.393 175.393 178.210 -2.817 RESID 109 (V): CA 63.949 63.949 64.659 -0.710 RESID 109 (V): CB 32.911 32.911 30.963 1.948 RESID 109 (V): H 8.763 8.763 7.639 1.124 RESID 110 (R): N 112.900 112.900 120.236 -7.336 RESID 110 (R): C 176.273 176.273 177.826 -1.553 RESID 110 (R): CA 57.507 57.507 59.298 -1.791 RESID 110 (R): CB 30.568 30.568 30.168 0.400 RESID 110 (R): H 7.241 7.241 7.989 -0.748 RESID 111 (V): N 115.556 115.556 117.742 -2.186 RESID 111 (V): C 177.445 177.445 176.907 0.538 RESID 111 (V): CA 59.849 59.849 65.242 -5.393 RESID 111 (V): CB 32.911 32.911 32.914 -0.003 RESID 111 (V): H 7.566 7.566 7.714 -0.148 RESID 112 (C): N 114.295 114.295 115.385 -1.090 RESID 112 (C): C 169.826 169.826 174.536 -4.710 RESID 112 (C): CA 57.507 57.507 58.956 -1.449 RESID 112 (C): CB 35.839 35.839 28.972 6.867 RESID 112 (C): H 7.425 7.425 8.278 -0.853 RESID 113 (E): N 116.486 116.486 117.789 -1.303 RESID 113 (E): C 176.566 176.566 175.798 0.768 RESID 113 (E): CA 69.219 69.219 58.315 10.904 RESID 113 (E): CB 30.568 30.568 28.289 2.279 RESID 113 (E): H 7.241 7.241 8.147 -0.906 RESID 114 (N): N 129.302 129.302 121.862 7.440 RESID 114 (N): C 175.100 175.100 174.729 0.371 RESID 114 (N): CA 52.236 52.236 52.991 -0.755 RESID 114 (N): CB 39.938 39.938 38.117 1.821 RESID 114 (N): H 8.919 8.919 8.241 0.678 RESID 115 (I): N 110.443 110.443 122.210 -11.767 RESID 115 (I): C 175.100 175.100 173.465 1.635 RESID 115 (I): CA 65.705 65.705 57.831 7.874 RESID 115 (I): CB 39.353 39.353 39.951 -0.598 RESID 115 (I): H 9.287 9.287 7.876 1.411 RESID 116 (P): C 175.979 175.979 175.639 0.340 RESID 116 (P): CA 63.086 63.086 62.974 0.112 RESID 116 (P): CB 29.681 29.681 32.274 -2.593 RESID 117 (I): N 123.591 123.591 123.654 -0.063 RESID 117 (I): C 174.807 174.807 175.015 -0.208 RESID 117 (I): CA 66.291 66.291 60.296 5.995 RESID 117 (I): CB 38.767 38.767 42.284 -3.517 RESID 117 (I): H 7.781 7.781 8.508 -0.727 RESID 118 (V): N 119.009 119.009 125.719 -6.710 RESID 118 (V): C 178.324 178.324 174.789 3.535 RESID 118 (V): CA 62.777 62.777 60.806 1.970 RESID 118 (V): CB 31.154 31.154 33.997 -2.843 RESID 118 (V): H 8.767 8.767 8.605 0.162 RESID 119 (L): N 119.408 119.408 126.881 -7.473 RESID 119 (L): C 178.031 178.031 176.063 1.968 RESID 119 (L): CA 42.866 42.866 53.859 -10.993 RESID 119 (L): CB 38.767 38.767 43.791 -5.024 RESID 119 (L): H 7.734 7.734 9.248 -1.514 RESID 120 (C): N 113.232 113.232 122.110 -8.878 RESID 120 (C): C 178.031 178.031 174.231 3.800 RESID 120 (C): H 8.317 8.317 9.133 -0.816 RESID 121 (G): N 117.349 117.349 112.899 4.450 RESID 121 (G): C 176.851 176.851 172.819 4.032 RESID 121 (G): CA 41.109 41.109 43.621 -2.512 RESID 121 (G): H 7.515 7.515 8.943 -1.428 RESID 122 (N): N 125.318 125.318 125.793 -0.475 RESID 122 (N): C 175.686 175.686 175.534 0.152 RESID 122 (N): CA 50.479 50.479 52.714 -2.235 RESID 122 (N): CB 39.353 39.353 39.773 -0.420 RESID 122 (N): H 9.162 9.162 8.499 0.663 RESID 123 (K): N 122.132 122.132 114.882 7.250 RESID 123 (K): C 173.043 173.043 177.003 -3.960 RESID 123 (K): CA 58.101 58.101 57.416 0.685 RESID 123 (K): CB 35.543 35.543 29.893 5.650 RESID 123 (K): H 7.953 7.953 8.804 -0.851 RESID 124 (V): N 123.726 123.726 113.110 10.616 RESID 124 (V): C 175.679 175.679 176.684 -1.005 RESID 124 (V): CA 64.840 64.840 64.815 0.025 RESID 124 (V): CB 42.574 42.574 31.320 11.254 RESID 124 (V): H 8.555 8.555 7.575 0.980 RESID 125 (D): N 119.607 119.607 120.181 -0.574 RESID 125 (D): C 176.566 176.566 177.073 -0.507 RESID 125 (D): CA 55.750 55.750 56.451 -0.701 RESID 125 (D): CB 40.524 40.524 40.997 -0.473 RESID 125 (D): H 7.875 7.875 8.201 -0.326 RESID 126 (I): N 116.088 116.088 121.053 -4.965 RESID 126 (I): C 177.152 177.152 177.041 0.111 RESID 126 (I): CA 66.291 66.291 61.874 4.417 RESID 126 (I): CB 39.353 39.353 38.142 1.211 RESID 126 (I): H 7.511 7.511 7.541 -0.030 RESID 127 (K): N 121.203 121.203 126.765 -5.562 RESID 127 (K): C 175.979 175.979 177.075 -1.096 RESID 127 (K): CA 58.101 58.101 59.054 -0.953 RESID 127 (K): CB 35.834 35.834 32.483 3.351 RESID 127 (K): H 8.113 8.113 8.625 -0.512 RESID 128 (D): N 118.279 118.279 120.315 -2.036 RESID 128 (D): C 176.566 176.566 175.024 1.542 RESID 128 (D): CA 53.407 53.407 52.960 0.447 RESID 128 (D): CB 40.524 40.524 39.610 0.914 RESID 128 (D): H 7.241 7.241 8.221 -0.980 RESID 129 (R): N 118.943 118.943 122.122 -3.179 RESID 129 (R): C 177.738 177.738 176.605 1.133 RESID 129 (R): CA 45.794 45.794 56.604 -10.810 RESID 129 (R): CB 31.154 31.154 31.282 -0.128 RESID 129 (R): H 8.423 8.423 7.822 0.601 RESID 130 (K): N 109.381 109.381 121.868 -12.487 RESID 130 (K): C 176.566 176.566 176.972 -0.406 RESID 130 (K): CA 55.164 55.164 56.160 -0.996 RESID 130 (K): CB 36.424 36.424 33.709 2.715 RESID 130 (K): H 7.296 7.296 8.508 -1.212 RESID 131 (V): N 110.377 110.377 121.683 -11.306 RESID 131 (V): C 178.617 178.617 175.064 3.553 RESID 131 (V): CA 65.705 65.705 62.038 3.667 RESID 131 (V): CB 35.839 35.839 31.235 4.604 RESID 131 (V): H 9.283 9.283 8.009 1.274 RESID 132 (K): N 110.310 110.310 127.967 -17.657 RESID 132 (K): C 176.273 176.273 177.449 -1.176 RESID 132 (K): CA 59.849 59.849 55.499 4.350 RESID 132 (K): CB 35.253 35.253 33.716 1.537 RESID 132 (K): H 9.709 9.709 8.149 1.560 RESID 133 (A): N 134.349 134.349 126.448 7.901 RESID 133 (A): CA 51.065 51.065 54.916 -3.852 RESID 133 (A): CB 12.999 12.999 18.604 -5.604 RESID 133 (A): H 6.322 6.322 8.743 -2.421 RESID 134 (K): N 117.615 117.615 118.116 -0.501 RESID 134 (K): C 176.859 176.859 178.393 -1.534 RESID 134 (K): CA 55.750 55.750 58.646 -2.896 RESID 134 (K): CB 54.579 54.579 32.304 22.275 RESID 134 (K): H 6.549 6.549 8.321 -1.772 RESID 135 (S): N 109.314 109.314 114.100 -4.786 RESID 135 (S): C 173.635 173.635 175.192 -1.557 RESID 135 (S): CA 56.336 56.336 59.999 -3.663 RESID 135 (S): CB 63.949 63.949 63.080 0.869 RESID 135 (S): H 7.840 7.840 7.453 0.387 RESID 136 (I): N 124.123 124.123 121.753 2.370 RESID 136 (I): C 175.100 175.100 175.896 -0.796 RESID 136 (I): CA 68.634 68.634 62.850 5.784 RESID 136 (I): CB 43.452 43.452 37.846 5.606 RESID 136 (I): H 8.098 8.098 7.275 0.823 RESID 137 (V): N 113.232 113.232 124.146 -10.914 RESID 137 (V): C 176.859 176.859 176.180 0.679 RESID 137 (V): CA 64.534 64.534 62.131 2.403 RESID 137 (V): CB 34.082 34.082 32.452 1.630 RESID 137 (V): H 7.711 7.711 8.072 -0.361 RESID 138 (F): N 118.279 118.279 123.039 -4.760 RESID 138 (F): C 175.393 175.393 176.280 -0.887 RESID 138 (F): CA 58.092 58.092 62.670 -4.578 RESID 138 (F): CB 39.353 39.353 39.188 0.165 RESID 138 (F): H 8.317 8.317 7.639 0.678 RESID 139 (H): N 120.605 120.605 115.408 5.197 RESID 139 (H): C 175.979 175.979 176.988 -1.009 RESID 139 (H): CA 67.775 67.775 59.155 8.620 RESID 139 (H): CB 35.836 35.836 28.849 6.987 RESID 139 (H): H 8.094 8.094 8.897 -0.803 RESID 140 (R): N 120.140 120.140 120.144 -0.004 RESID 140 (R): C 178.023 178.023 179.155 -1.132 RESID 140 (R): CA 58.394 58.394 59.216 -0.822 RESID 140 (R): CB 39.644 39.644 29.831 9.813 RESID 140 (R): H 8.149 8.149 7.064 1.085 RESID 141 (K): N 115.623 115.623 120.042 -4.419 RESID 141 (K): C 173.635 173.635 178.124 -4.489 RESID 141 (K): CA 58.092 58.092 58.674 -0.582 RESID 141 (K): CB 33.496 33.496 32.321 1.175 RESID 141 (K): H 7.449 7.449 7.388 0.061 RESID 142 (K): N 114.162 114.162 115.329 -1.167 RESID 142 (K): C 175.979 175.979 176.000 -0.021 RESID 142 (K): CA 51.065 51.065 54.627 -3.562 RESID 142 (K): CB 34.668 34.668 31.470 3.199 RESID 142 (K): H 8.982 8.982 7.596 1.386 RESID 143 (N): N 112.103 112.103 117.192 -5.089 RESID 143 (N): C 175.100 175.100 173.988 1.112 RESID 143 (N): CA 53.407 53.407 53.862 -0.455 RESID 143 (N): CB 39.938 39.938 37.070 2.868 RESID 143 (N): H 7.402 7.402 7.851 -0.449 RESID 144 (L): N 118.810 118.810 116.400 2.410 RESID 144 (L): CA 53.993 53.993 53.353 0.640 RESID 144 (L): CB 42.866 42.866 44.539 -1.673 RESID 144 (L): H 7.793 7.793 8.046 -0.253 RESID 145 (Q): N 119.607 119.607 118.083 1.524 RESID 145 (Q): C 176.859 176.859 174.241 2.618 RESID 145 (Q): CA 55.164 55.164 53.694 1.470 RESID 145 (Q): CB 29.983 29.983 31.093 -1.110 RESID 145 (Q): H 7.014 7.014 8.206 -1.192 RESID 146 (Y): N 119.275 119.275 124.486 -5.211 RESID 146 (Y): C 174.807 174.807 174.302 0.505 RESID 146 (Y): CA 62.777 62.777 56.098 6.679 RESID 146 (Y): CB 41.109 41.109 40.768 0.341 RESID 146 (Y): H 9.350 9.350 8.157 1.193 RESID 147 (Y): N 123.658 123.658 125.095 -1.437 RESID 147 (Y): C 177.738 177.738 173.691 4.047 RESID 147 (Y): CA 58.092 58.092 56.240 1.852 RESID 147 (Y): CB 39.938 39.938 42.118 -2.180 RESID 147 (Y): H 8.340 8.340 8.611 -0.271 RESID 148 (D): N 121.267 121.267 123.157 -1.890 RESID 148 (D): C 176.859 176.859 175.377 1.482 RESID 148 (D): CA 54.579 54.579 54.343 0.236 RESID 148 (D): CB 41.109 41.109 41.659 -0.550 RESID 148 (D): H 8.911 8.911 8.392 0.519 RESID 149 (I): N 119.607 119.607 116.953 2.654 RESID 149 (I): C 174.807 174.807 174.222 0.585 RESID 149 (I): CA 61.020 61.020 59.107 1.913 RESID 149 (I): CB 39.353 39.353 42.665 -3.312 RESID 149 (I): H 8.712 8.712 8.591 0.121 RESID 150 (S): N 117.349 117.349 116.664 0.685 RESID 150 (S): C 175.686 175.686 174.467 1.219 RESID 150 (S): CA 60.435 60.435 55.776 4.659 RESID 150 (S): CB 62.192 62.192 65.399 -3.207 RESID 150 (S): H 8.454 8.454 8.433 0.021 RESID 151 (A): N 131.162 131.162 131.149 0.013 RESID 151 (A): C 160.742 160.742 179.048 -18.306 RESID 151 (A): CA 53.993 53.993 55.389 -1.396 RESID 151 (A): CB 22.369 22.369 19.136 3.233 RESID 151 (A): H 10.640 10.640 8.924 1.716 RESID 152 (K): N 121.400 121.400 118.016 3.384 RESID 152 (K): C 174.221 174.221 178.078 -3.857 RESID 152 (K): CA 59.849 59.849 58.470 1.379 RESID 152 (K): CB 34.668 34.668 32.504 2.164 RESID 152 (K): H 9.099 9.099 8.174 0.925 RESID 153 (S): N 135.212 135.212 111.645 23.567 RESID 153 (S): C 177.152 177.152 174.060 3.092 RESID 153 (S): CA 62.192 62.192 58.731 3.461 RESID 153 (S): CB 66.291 66.291 63.941 2.349 RESID 153 (S): H 8.935 8.935 7.745 1.190 RESID 154 (N): N 119.341 119.341 115.464 3.877 RESID 154 (N): C 175.979 175.979 174.279 1.700 RESID 154 (N): CA 49.894 49.894 54.501 -4.607 RESID 154 (N): CB 39.353 39.353 36.255 3.098 RESID 154 (N): H 7.488 7.488 8.311 -0.823 RESID 155 (Y): N 120.074 120.074 123.288 -3.214 RESID 155 (Y): C 177.144 177.144 175.246 1.898 RESID 155 (Y): CA 60.738 60.738 59.704 1.034 RESID 155 (Y): CB 41.402 41.402 38.553 2.849 RESID 155 (Y): H 7.945 7.945 7.583 0.362 RESID 156 (N): N 124.058 124.058 122.771 1.287 RESID 156 (N): C 175.679 175.679 176.431 -0.752 RESID 156 (N): CA 53.121 53.121 54.664 -1.543 RESID 156 (N): CB 38.179 38.179 35.783 2.396 RESID 156 (N): H 8.192 8.192 8.857 -0.665 RESID 157 (F): N 123.459 123.459 117.191 6.268 RESID 157 (F): C 174.221 174.221 176.036 -1.815 RESID 157 (F): CA 57.507 57.507 60.694 -3.187 RESID 157 (F): CB 39.353 39.353 38.466 0.887 RESID 157 (F): H 7.429 7.429 8.105 -0.676 RESID 158 (E): N 112.568 112.568 117.241 -4.673 RESID 158 (E): C 176.566 176.566 177.735 -1.169 RESID 158 (E): CA 72.147 72.147 56.885 15.262 RESID 158 (E): CB 27.640 27.640 28.721 -1.081 RESID 158 (E): H 7.495 7.495 8.036 -0.541 RESID 159 (K): N 113.232 113.232 119.771 -6.539 RESID 159 (K): C 176.566 176.566 175.824 0.742 RESID 159 (K): CA 53.993 53.993 61.543 -7.550 RESID 159 (K): CB 33.496 33.496 30.116 3.381 RESID 159 (K): H 6.862 6.862 7.367 -0.505 RESID 160 (P): C 176.273 176.273 178.524 -2.251 RESID 160 (P): CA 64.258 64.258 65.475 -1.218 RESID 160 (P): CB 32.318 32.318 31.022 1.296 RESID 161 (F): N 123.726 123.726 116.854 6.872 RESID 161 (F): C 176.851 176.851 177.526 -0.675 RESID 161 (F): CA 60.445 60.445 61.781 -1.336 RESID 161 (F): CB 40.816 40.816 37.742 3.074 RESID 161 (F): H 8.215 8.215 7.252 0.963 RESID 162 (L): N 110.177 110.177 119.143 -8.966 RESID 162 (L): C 176.273 176.273 178.727 -2.454 RESID 162 (L): CA 55.750 55.750 57.881 -2.131 RESID 162 (L): CB 44.037 44.037 41.467 2.570 RESID 162 (L): H 7.527 7.527 7.742 -0.215 RESID 163 (W): N 123.525 123.525 121.295 2.230 RESID 163 (W): C 177.152 177.152 178.069 -0.917 RESID 163 (W): CA 61.606 61.606 61.154 0.452 RESID 163 (W): CB 28.811 28.811 29.788 -0.977 RESID 163 (W): H 7.476 7.476 8.325 -0.849 RESID 164 (L): N 119.740 119.740 118.819 0.921 RESID 164 (L): C 175.686 175.686 178.830 -3.144 RESID 164 (L): CA 61.020 61.020 57.796 3.224 RESID 164 (L): CB 45.794 45.794 41.376 4.418 RESID 164 (L): H 9.412 9.412 8.012 1.400 RESID 165 (A): N 118.013 118.013 121.422 -3.409 RESID 165 (A): C 165.723 165.723 179.525 -13.802 RESID 165 (A): CA 52.236 52.236 55.167 -2.931 RESID 165 (A): CB 21.784 21.784 18.056 3.728 RESID 165 (A): H 7.707 7.707 8.204 -0.497 RESID 166 (R): N 122.994 122.994 118.438 4.556 RESID 166 (R): C 175.979 175.979 178.764 -2.785 RESID 166 (R): CA 49.308 49.308 59.270 -9.962 RESID 166 (R): CB 29.397 29.397 29.985 -0.588 RESID 166 (R): H 8.692 8.692 8.033 0.659 RESID 167 (K): N 112.568 112.568 120.250 -7.682 RESID 167 (K): C 176.273 176.273 179.345 -3.072 RESID 167 (K): CA 58.092 58.092 59.089 -0.997 RESID 167 (K): CB 34.668 34.668 32.198 2.470 RESID 167 (K): H 6.819 6.819 7.477 -0.658 RESID 168 (L): N 114.959 114.959 119.751 -4.792 RESID 168 (L): C 177.738 177.738 179.043 -1.305 RESID 168 (L): CA 56.921 56.921 57.624 -0.703 RESID 168 (L): CB 41.695 41.695 41.946 -0.251 RESID 168 (L): H 7.269 7.269 7.877 -0.608 RESID 169 (I): N 122.199 122.199 115.956 6.243 RESID 169 (I): C 177.445 177.445 177.186 0.259 RESID 169 (I): CA 63.375 63.375 63.271 0.104 RESID 169 (I): CB 42.281 42.281 38.691 3.591 RESID 169 (I): H 8.360 8.360 8.124 0.236 RESID 170 (G): N 113.099 113.099 106.727 6.372 RESID 170 (G): C 162.496 162.496 173.583 -11.087 RESID 170 (G): CA 44.037 44.037 44.940 -0.903 RESID 170 (G): H 6.686 6.686 7.884 -1.198 RESID 171 (D): N 113.232 113.232 121.586 -8.354 RESID 171 (D): C 178.910 178.910 175.542 3.368 RESID 171 (D): CA 50.479 50.479 50.472 0.007 RESID 171 (D): CB 41.109 41.109 41.763 -0.654 RESID 171 (D): H 6.815 6.815 7.666 -0.851 RESID 172 (P): C 176.566 176.566 177.137 -0.571 RESID 172 (P): CA 63.965 63.965 64.295 -0.330 RESID 172 (P): CB 31.732 31.732 32.124 -0.392 RESID 173 (N): N 109.779 109.779 115.104 -5.325 RESID 173 (N): C 175.979 175.979 174.949 1.030 RESID 173 (N): CA 54.579 54.579 52.221 2.358 RESID 173 (N): CB 36.424 36.424 39.158 -2.734 RESID 173 (N): H 8.016 8.016 8.330 -0.314 RESID 174 (L): N 109.248 109.248 122.901 -13.653 RESID 174 (L): C 176.566 176.566 175.390 1.176 RESID 174 (L): CA 56.336 56.336 56.008 0.327 RESID 174 (L): CB 44.037 44.037 42.772 1.265 RESID 174 (L): H 7.871 7.871 7.297 0.574 RESID 175 (E): N 125.185 125.185 126.244 -1.059 RESID 175 (E): C 177.445 177.445 174.851 2.594 RESID 175 (E): CA 76.247 76.247 54.057 22.190 RESID 175 (E): CB 28.811 28.811 34.027 -5.216 RESID 175 (E): H 9.127 9.127 8.325 0.802 RESID 176 (F): N 136.873 136.873 124.234 12.639 RESID 176 (F): C 178.617 178.617 175.413 3.204 RESID 176 (F): CA 59.264 59.264 58.235 1.029 RESID 176 (F): CB 44.623 44.623 40.118 4.505 RESID 176 (F): H 10.058 10.058 8.592 1.466 RESID 177 (V): N 118.877 118.877 123.950 -5.073 RESID 177 (V): C 177.445 177.445 174.241 3.204 RESID 177 (V): CA 62.777 62.777 59.118 3.659 RESID 177 (V): CB 34.668 34.668 33.950 0.718 RESID 177 (V): H 7.789 7.789 7.958 -0.169 RESID 178 (A): N 123.859 123.859 126.061 -2.202 RESID 178 (A): C 177.144 177.144 177.169 -0.025 RESID 178 (A): CA 54.000 54.000 54.788 -0.788 RESID 178 (A): CB 15.035 15.035 18.922 -3.887 RESID 178 (A): H 7.683 7.683 8.224 -0.541 RESID 179 (M): N 121.668 121.668 116.024 5.644 RESID 179 (M): C 177.144 177.144 173.542 3.602 RESID 179 (M): CA 60.445 60.445 53.045 7.400 RESID 179 (M): CB 39.351 39.351 34.201 5.150 RESID 179 (M): H 7.648 7.648 7.613 0.035 RESID 180 (P): C 177.445 177.445 175.349 2.096 RESID 180 (P): CA 64.844 64.844 62.653 2.191 RESID 180 (P): CB 29.974 29.974 32.307 -2.333 RESID 181 (A): N 128.439 128.439 127.150 1.289 RESID 181 (A): C 176.273 176.273 176.797 -0.524 RESID 181 (A): CA 58.092 58.092 51.425 6.667 RESID 181 (A): CB 21.198 21.198 19.138 2.060 RESID 181 (A): H 8.673 8.673 8.477 0.196 RESID 182 (L): N 122.130 122.130 123.397 -1.267 RESID 182 (L): C 177.445 177.445 176.871 0.574 RESID 182 (L): CA 55.164 55.164 53.920 1.244 RESID 182 (L): CB 42.866 42.866 43.552 -0.686 RESID 182 (L): H 8.821 8.821 8.449 0.372 RESID 183 (A): N 121.004 121.004 124.628 -3.624 RESID 183 (A): C 178.617 178.617 175.584 3.033 RESID 183 (A): CA 57.808 57.808 50.874 6.934 RESID 183 (A): CB 24.117 24.117 18.343 5.774 RESID 183 (A): H 8.356 8.356 8.461 -0.105 RESID 184 (P): C 177.152 177.152 175.488 1.664 RESID 184 (P): CA 64.258 64.258 62.003 2.255 RESID 184 (P): CB 29.681 29.681 31.364 -1.683 RESID 185 (P): C 175.686 175.686 176.802 -1.116 RESID 185 (P): CA 63.379 63.379 62.531 0.848 RESID 185 (P): CB 35.248 35.248 32.712 2.536 RESID 186 (E): N 120.539 120.539 119.665 0.874 RESID 186 (E): C 176.273 176.273 176.150 0.123 RESID 186 (E): CA 58.101 58.101 57.513 0.588 RESID 186 (E): CB 35.836 35.836 29.660 6.176 RESID 186 (E): H 8.086 8.086 8.453 -0.367 RESID 187 (V): N 124.455 124.455 119.127 5.328 RESID 187 (V): C 178.910 178.910 174.941 3.969 RESID 187 (V): CA 63.363 63.363 62.884 0.479 RESID 187 (V): CB 34.082 34.082 31.456 2.626 RESID 187 (V): H 8.622 8.622 7.762 0.860 RESID 188 (V): N 128.572 128.572 127.437 1.135 RESID 188 (V): C 178.324 178.324 177.122 1.202 RESID 188 (V): CA 68.634 68.634 62.512 6.122 RESID 188 (V): CB 31.154 31.154 31.976 -0.822 RESID 188 (V): H 8.497 8.497 8.034 0.463 RESID 189 (M): N 122.795 122.795 118.468 4.327 RESID 189 (M): C 177.445 177.445 175.524 1.921 RESID 189 (M): CA 55.164 55.164 57.924 -2.760 RESID 189 (M): CB 35.253 35.253 31.685 3.568 RESID 189 (M): H 6.991 6.991 8.427 -1.436 RESID 190 (D): N 114.959 114.959 113.555 1.404 RESID 190 (D): C 175.686 175.686 175.879 -0.193 RESID 190 (D): CA 51.065 51.065 55.001 -3.936 RESID 190 (D): CB 41.695 41.695 38.584 3.111 RESID 190 (D): H 7.210 7.210 8.659 -1.449 RESID 191 (P): C 176.566 176.566 177.810 -1.244 RESID 191 (P): CA 63.965 63.965 64.536 -0.571 RESID 191 (P): CB 31.146 31.146 31.490 -0.344 RESID 192 (A): N 109.513 109.513 120.727 -11.214 RESID 192 (A): CA 53.993 53.993 54.298 -0.305 RESID 192 (A): CB 19.441 19.441 18.239 1.202 RESID 192 (A): H 7.394 7.394 7.963 -0.569 RESID 193 (L): N 119.009 119.009 117.203 1.806 RESID 193 (L): C 175.979 175.979 177.176 -1.197 RESID 193 (L): CA 56.336 56.336 55.805 0.531 RESID 193 (L): CB 42.866 42.866 41.907 0.959 RESID 193 (L): H 8.340 8.340 7.848 0.492 RESID 194 (A): N 121.666 121.666 119.274 2.392 RESID 194 (A): C 166.896 166.896 177.839 -10.943 RESID 194 (A): CA 55.164 55.164 52.508 2.656 RESID 194 (A): CB 16.513 16.513 19.354 -2.841 RESID 194 (A): H 8.176 8.176 7.429 0.747 RESID 195 (A): N 119.541 119.541 119.634 -0.093 RESID 195 (A): C 173.928 173.928 179.264 -5.336 RESID 195 (A): CA 57.507 57.507 54.399 3.108 RESID 195 (A): CB 19.441 19.441 17.190 2.251 RESID 195 (A): H 8.364 8.364 8.694 -0.330 RESID 196 (Q): N 107.322 107.322 118.895 -11.573 RESID 196 (Q): C 176.273 176.273 178.003 -1.730 RESID 196 (Q): CA 56.921 56.921 58.660 -1.739 RESID 196 (Q): CB 29.983 29.983 28.733 1.250 RESID 196 (Q): H 7.910 7.910 7.806 0.104 RESID 197 (Y): N 119.277 119.277 117.938 1.339 RESID 197 (Y): C 178.316 178.316 178.355 -0.039 RESID 197 (Y): CA 56.343 56.343 60.635 -4.292 RESID 197 (Y): CB 43.453 43.453 37.576 5.877 RESID 197 (Y): H 8.180 8.180 8.286 -0.106 RESID 198 (E): N 110.244 110.244 119.399 -9.155 RESID 198 (E): C 176.273 176.273 178.895 -2.622 RESID 198 (E): CA 53.407 53.407 59.312 -5.904 RESID 198 (E): CB 30.568 30.568 29.250 1.318 RESID 198 (E): H 7.523 7.523 7.955 -0.432 RESID 199 (H): N 119.211 119.211 119.513 -0.302 RESID 199 (H): C 178.902 178.902 177.246 1.656 RESID 199 (H): CA 58.687 58.687 59.252 -0.565 RESID 199 (H): CB 34.957 34.957 29.754 5.203 RESID 199 (H): H 8.258 8.258 7.647 0.611 RESID 200 (D): N 124.722 124.722 120.118 4.604 RESID 200 (D): C 176.705 176.705 178.870 -2.165 RESID 200 (D): CA 58.687 58.687 57.261 1.426 RESID 200 (D): CB 39.644 39.644 40.457 -0.813 RESID 200 (D): H 8.086 8.086 7.889 0.197 RESID 201 (L): N 116.353 116.353 120.253 -3.900 RESID 201 (L): C 178.910 178.910 179.001 -0.091 RESID 201 (L): CA 61.606 61.606 58.237 3.369 RESID 201 (L): CB 41.109 41.109 41.782 -0.673 RESID 201 (L): H 7.722 7.722 8.055 -0.333 RESID 202 (E): N 118.080 118.080 119.244 -1.164 RESID 202 (E): C 176.566 176.566 179.090 -2.524 RESID 202 (E): CA 56.921 56.921 59.673 -2.752 RESID 202 (E): CB 30.568 30.568 29.543 1.025 RESID 202 (E): H 8.857 8.857 7.875 0.982 RESID 203 (V): N 129.369 129.369 117.338 12.031 RESID 203 (V): C 178.617 178.617 177.503 1.114 RESID 203 (V): CA 64.534 64.534 66.008 -1.474 RESID 203 (V): CB 27.640 27.640 30.715 -3.075 RESID 203 (V): H 9.283 9.283 7.516 1.767 RESID 204 (A): N 109.580 109.580 122.750 -13.170 RESID 204 (A): C 176.859 176.859 179.547 -2.688 RESID 204 (A): CA 54.579 54.579 54.805 -0.226 RESID 204 (A): CB 18.270 18.270 18.399 -0.129 RESID 204 (A): H 8.528 8.528 7.992 0.536 RESID 205 (Q): N 123.328 123.328 116.340 6.988 RESID 205 (Q): C 177.418 177.418 178.180 -0.762 RESID 205 (Q): CA 57.515 57.515 58.458 -0.943 RESID 205 (Q): CB 33.785 33.785 29.057 4.728 RESID 205 (Q): H 8.160 8.160 8.009 0.151 RESID 206 (T): N 120.271 120.271 113.736 6.535 RESID 206 (T): C 176.273 176.273 175.356 0.917 RESID 206 (T): CA 67.462 67.462 64.586 2.876 RESID 206 (T): CB 70.390 70.390 69.120 1.270 RESID 206 (T): H 7.585 7.585 7.776 -0.191 RESID 207 (T): N 111.970 111.970 119.160 -7.190 RESID 207 (T): C 176.566 176.566 173.852 2.714 RESID 207 (T): CA 64.534 64.534 63.525 1.009 RESID 207 (T): CB 72.733 72.733 69.551 3.182 RESID 207 (T): H 7.468 7.468 7.551 -0.083 RESID 208 (A): N 115.623 115.623 127.852 -12.229 RESID 208 (A): C 168.947 168.947 177.187 -8.240 RESID 208 (A): CA 55.164 55.164 51.925 3.239 RESID 208 (A): CB 22.369 22.369 19.353 3.016 RESID 208 (A): H 7.390 7.390 8.263 -0.873 RESID 209 (L): N 117.814 117.814 124.716 -6.902 RESID 209 (L): C 176.273 176.273 175.009 1.264 RESID 209 (L): CA 58.678 58.678 52.846 5.832 RESID 209 (L): CB 46.380 46.380 42.124 4.255 RESID 209 (L): H 7.652 7.652 8.255 -0.603 RESID 210 (P): C 176.566 176.566 175.605 0.961 RESID 210 (P): CA 63.086 63.086 62.365 0.721 RESID 210 (P): CB 31.146 31.146 32.443 -1.297 RESID 211 (D): N 122.863 122.863 123.235 -0.372 RESID 211 (D): C 175.686 175.686 176.311 -0.625 RESID 211 (D): CA 56.343 56.343 54.019 2.324 RESID 211 (D): CB 41.402 41.402 41.420 -0.018 RESID 211 (D): H 8.360 8.360 8.421 -0.061 RESID 212 (E): N 131.162 131.162 125.898 5.264 RESID 212 (E): C 176.273 176.273 176.751 -0.478 RESID 212 (E): CA 55.164 55.164 57.760 -2.596 RESID 212 (E): CB 30.568 30.568 31.813 -1.245 RESID 212 (E): H 8.399 8.399 8.376 0.023 RESID 213 (D): N 122.797 122.797 117.520 5.277 RESID 213 (D): C 177.152 177.152 177.426 -0.274 RESID 213 (D): CA 61.914 61.914 53.536 8.378 RESID 213 (D): CB 49.607 49.607 40.468 9.139 RESID 213 (D): H 8.168 8.168 8.443 -0.275 RESID 214 (D): N 112.369 112.369 121.752 -9.383 RESID 214 (D): C 178.910 178.910 177.177 1.733 RESID 214 (D): CA 54.579 54.579 56.845 -2.266 RESID 214 (D): CB 39.353 39.353 40.252 -0.899 RESID 214 (D): H 7.464 7.464 8.063 -0.599 RESID 215 (D): N 127.244 127.244 118.850 8.394 RESID 215 (D): C 176.859 176.859 177.084 -0.225 RESID 215 (D): CA 54.579 54.579 55.955 -1.376 RESID 215 (D): CB 40.524 40.524 40.926 -0.402 RESID 215 (D): H 8.301 8.301 8.303 -0.002 N HA C CA CB H RESID 3 (A): 3.811 ----- -2.759 -4.628 0.170 0.660 RESID 4 (Q): 1.072 ----- -0.828 -2.443 -2.031 0.864 RESID 5 (G): 15.079 ----- 8.236 0.858 ----- 0.027 RESID 6 (E): 7.401 ----- 1.686 3.381 -1.665 1.452 RESID 7 (P): ----- ----- -0.024 -1.646 -1.002 ----- RESID 8 (Q): -2.215 ----- 1.870 -5.597 -2.355 -1.963 RESID 9 (V): -1.658 ----- 4.514 2.479 0.402 -1.291 RESID 10 (Q): -9.407 ----- 1.847 1.167 -4.003 -0.283 RESID 11 (F): -5.664 ----- 1.897 3.346 -1.068 -0.853 RESID 12 (K): 3.400 ----- 3.799 2.033 ----- 1.233 RESID 13 (L): -17.671 ----- 3.200 1.012 -2.710 -1.905 RESID 14 (V): -0.381 ----- 1.242 9.114 -4.514 -0.469 RESID 15 (L): -2.317 ----- 2.686 2.465 ----- -1.301 RESID 16 (V): -0.342 ----- 4.041 4.722 0.657 0.071 RESID 17 (G): 21.010 ----- 1.769 -2.207 ----- 2.933 RESID 18 (D): 4.321 ----- -0.750 2.837 4.223 -0.021 RESID 19 (G): 14.597 ----- 3.312 -3.253 ----- 0.271 RESID 20 (G): 16.847 ----- -1.339 -4.065 ----- 0.053 RESID 21 (T): 8.192 ----- -3.839 -2.702 -4.067 0.464 RESID 22 (G): 4.267 ----- 9.318 0.145 ----- -1.504 RESID 23 (K): 1.476 ----- 0.369 -1.814 7.818 -0.151 RESID 24 (T): 0.530 ----- 1.531 -4.967 3.413 -0.055 RESID 25 (T): -9.083 ----- 2.162 -2.754 3.102 0.231 RESID 26 (F): -8.871 ----- -2.322 -8.550 1.603 -0.766 RESID 27 (V): 3.738 ----- 0.432 0.260 -2.089 -1.260 RESID 28 (K): -5.675 ----- -1.731 -1.593 1.948 -0.758 RESID 29 (R): -7.270 ----- -4.847 13.471 8.218 -1.000 RESID 30 (H): 4.354 ----- -5.072 -7.251 0.949 0.138 RESID 31 (L): -9.058 ----- -0.651 -2.401 0.099 -0.253 RESID 32 (T): 15.330 ----- -4.846 1.861 4.934 0.156 RESID 33 (G): 17.871 ----- -12.212 -1.850 ----- 1.938 RESID 34 (E): 0.229 ----- -0.546 2.665 3.575 0.737 RESID 35 (F): -6.857 ----- -0.785 -7.502 1.091 -1.764 RESID 36 (E): -5.359 ----- -0.259 3.481 18.153 -0.370 RESID 37 (K): -7.620 ----- -4.474 -9.078 3.568 -0.133 RESID 38 (K): -12.493 ----- 0.452 3.914 1.744 0.030 RESID 39 (Y): -15.056 ----- 0.041 2.901 -2.717 -1.219 RESID 40 (V): -6.955 ----- -0.202 -0.507 -2.314 -0.115 RESID 42 (T): 0.168 ----- 4.931 -2.160 0.610 -0.144 RESID 43 (L): -8.877 ----- -3.122 3.273 0.124 0.790 RESID 44 (G): -0.022 ----- 6.180 8.564 ----- -1.587 RESID 45 (V): -13.718 ----- 0.367 3.485 -17.799 0.153 RESID 46 (E): 1.311 ----- 2.428 0.461 0.003 0.883 RESID 47 (V): 0.325 ----- -0.122 1.851 5.017 -0.049 RESID 48 (H): 1.504 ----- -3.969 -3.649 -4.451 1.083 RESID 49 (P): ----- ----- 0.585 -0.032 -2.446 ----- RESID 50 (L): -7.897 ----- 2.889 4.707 -3.350 -1.578 RESID 51 (V): -8.330 ----- -0.925 3.346 3.713 -0.396 RESID 52 (F): -1.322 ----- 0.888 -0.372 -2.937 -0.237 RESID 53 (H): -1.520 ----- -4.885 -0.154 -0.685 -0.963 RESID 54 (T): -3.134 ----- 2.676 4.024 1.086 -0.825 RESID 55 (N): 10.895 ----- 0.017 -4.585 -1.332 1.613 RESID 56 (R): 4.035 ----- -1.162 6.371 2.930 -0.164 RESID 57 (G): 18.370 ----- 3.996 -2.070 ----- 1.576 RESID 58 (P): ----- ----- 0.890 2.255 -3.202 ----- RESID 59 (I): 13.641 ----- 2.105 5.759 -1.835 -0.099 RESID 60 (K): 3.739 ----- 4.060 19.851 -4.435 -0.581 RESID 61 (F): -4.140 ----- 0.271 0.403 0.180 -2.110 RESID 62 (N): 0.790 ----- -1.273 0.930 2.477 -0.951 RESID 63 (V): -21.341 ----- -0.357 -2.071 -1.560 -0.962 RESID 64 (W): -0.387 ----- 1.828 4.752 -0.295 -0.589 RESID 65 (D): -6.582 ----- -1.168 1.878 -1.869 -0.496 RESID 66 (T): 5.043 ----- 4.355 8.460 0.537 0.127 RESID 67 (A): -18.184 ----- -0.220 -2.827 -5.916 0.602 RESID 68 (G): 5.378 ----- 13.505 -0.783 ----- 2.024 RESID 69 (Q): 2.741 ----- -1.751 0.916 2.659 -0.173 RESID 70 (E): -5.466 ----- 0.678 1.039 -1.520 1.323 RESID 71 (K): -6.334 ----- -0.394 -7.361 4.107 0.440 RESID 72 (F): -5.720 ----- -1.283 -2.365 -2.348 -0.055 RESID 73 (G): 5.158 ----- -6.401 -2.775 ----- -0.253 RESID 74 (G): 12.237 ----- -1.843 -2.399 ----- 0.634 RESID 75 (L): 5.541 ----- 0.406 -3.670 0.546 -0.176 RESID 76 (R): 0.114 ----- 0.078 3.139 1.351 -0.345 RESID 77 (D): 8.158 ----- -0.799 -4.799 1.268 1.355 RESID 78 (G): 19.720 ----- -2.506 -2.553 ----- -0.356 RESID 79 (Y): 1.443 ----- -1.362 -0.922 2.417 1.077 RESID 80 (Y): 3.898 ----- 0.043 2.642 2.461 0.659 RESID 81 (I): -0.769 ----- 1.518 3.761 3.165 0.511 RESID 82 (Q): 1.738 ----- -1.094 3.216 5.276 -0.829 RESID 83 (A): -10.551 ----- -0.971 2.121 -2.823 -1.144 RESID 84 (Q): 0.378 ----- 1.108 3.413 3.607 -0.357 RESID 85 (C): 8.628 ----- 3.834 9.193 7.758 0.649 RESID 86 (A): -7.187 ----- ----- 6.560 -1.125 -1.752 RESID 87 (I): 0.184 ----- -0.652 1.038 -1.640 -0.349 RESID 88 (I): -7.178 ----- -1.233 4.312 -2.296 -3.383 RESID 89 (M): -5.831 ----- 3.551 4.677 0.046 -0.536 RESID 90 (F): 2.459 ----- 2.401 5.102 -3.339 0.630 RESID 91 (D): -0.492 ----- -0.387 7.504 1.342 -1.299 RESID 92 (V): -8.327 ----- -3.202 -0.426 6.271 -0.764 RESID 93 (T): 17.070 ----- 4.213 1.413 5.065 -0.553 RESID 94 (S): 5.764 ----- -10.945 4.362 -1.968 -0.291 RESID 95 (R): -15.573 ----- -1.599 -6.282 1.147 -0.963 RESID 96 (V): 5.918 ----- 0.314 2.239 -7.269 1.000 RESID 97 (T): -4.078 ----- 2.079 -2.383 1.393 0.369 RESID 98 (Y): -7.860 ----- -1.246 ----- ----- -0.166 RESID 99 (K): 5.070 ----- 0.006 -0.682 4.074 0.315 RESID 100 (N): -3.997 ----- -0.638 -1.081 -0.880 -1.901 RESID 101 (V): -3.013 ----- -1.349 -5.661 -2.152 -0.174 RESID 102 (P): ----- ----- -0.655 -2.892 -0.292 ----- RESID 103 (N): 7.732 ----- -1.698 -0.244 1.521 0.434 RESID 104 (W): 2.998 ----- -2.550 -1.179 5.219 0.069 RESID 105 (H): 3.725 ----- 3.315 ----- ----- -1.463 RESID 106 (R): 3.576 ----- 0.062 5.198 -1.750 -0.403 RESID 107 (D): -3.088 ----- -2.070 -2.413 0.947 1.193 RESID 108 (L): -6.236 ----- -1.992 1.056 7.531 -1.149 RESID 109 (V): 7.078 ----- -2.817 -0.710 1.948 1.124 RESID 110 (R): -7.336 ----- -1.553 -1.791 0.400 -0.748 RESID 111 (V): -2.186 ----- 0.538 -5.393 -0.003 -0.148 RESID 112 (C): -1.090 ----- -4.710 -1.449 6.867 -0.853 RESID 113 (E): -1.303 ----- 0.768 10.904 2.279 -0.906 RESID 114 (N): 7.440 ----- 0.371 -0.755 1.821 0.678 RESID 115 (I): -11.767 ----- 1.635 7.874 -0.598 1.411 RESID 116 (P): ----- ----- 0.340 0.112 -2.593 ----- RESID 117 (I): -0.063 ----- -0.208 5.995 -3.517 -0.727 RESID 118 (V): -6.710 ----- 3.535 1.970 -2.843 0.162 RESID 119 (L): -7.473 ----- 1.968 -10.993 -5.024 -1.514 RESID 120 (C): -8.878 ----- 3.800 ----- ----- -0.816 RESID 121 (G): 4.450 ----- 4.032 -2.512 ----- -1.428 RESID 122 (N): -0.475 ----- 0.152 -2.235 -0.420 0.663 RESID 123 (K): 7.250 ----- -3.960 0.685 5.650 -0.851 RESID 124 (V): 10.616 ----- -1.005 0.025 11.254 0.980 RESID 125 (D): -0.574 ----- -0.507 -0.701 -0.473 -0.326 RESID 126 (I): -4.965 ----- 0.111 4.417 1.211 -0.030 RESID 127 (K): -5.562 ----- -1.096 -0.953 3.351 -0.512 RESID 128 (D): -2.036 ----- 1.542 0.447 0.914 -0.980 RESID 129 (R): -3.179 ----- 1.133 -10.810 -0.128 0.601 RESID 130 (K): -12.487 ----- -0.406 -0.996 2.715 -1.212 RESID 131 (V): -11.306 ----- 3.553 3.667 4.604 1.274 RESID 132 (K): -17.657 ----- -1.176 4.350 1.537 1.560 RESID 133 (A): 7.901 ----- ----- -3.852 -5.604 -2.421 RESID 134 (K): -0.501 ----- -1.534 -2.896 22.275 -1.772 RESID 135 (S): -4.786 ----- -1.557 -3.663 0.869 0.387 RESID 136 (I): 2.370 ----- -0.796 5.784 5.606 0.823 RESID 137 (V): -10.914 ----- 0.679 2.403 1.630 -0.361 RESID 138 (F): -4.760 ----- -0.887 -4.578 0.165 0.678 RESID 139 (H): 5.197 ----- -1.009 8.620 6.987 -0.803 RESID 140 (R): -0.004 ----- -1.132 -0.822 9.813 1.085 RESID 141 (K): -4.419 ----- -4.489 -0.582 1.175 0.061 RESID 142 (K): -1.167 ----- -0.021 -3.562 3.199 1.386 RESID 143 (N): -5.089 ----- 1.112 -0.455 2.868 -0.449 RESID 144 (L): 2.410 ----- ----- 0.640 -1.673 -0.253 RESID 145 (Q): 1.524 ----- 2.618 1.470 -1.110 -1.192 RESID 146 (Y): -5.211 ----- 0.505 6.679 0.341 1.193 RESID 147 (Y): -1.437 ----- 4.047 1.852 -2.180 -0.271 RESID 148 (D): -1.890 ----- 1.482 0.236 -0.550 0.519 RESID 149 (I): 2.654 ----- 0.585 1.913 -3.312 0.121 RESID 150 (S): 0.685 ----- 1.219 4.659 -3.207 0.021 RESID 151 (A): 0.013 ----- -18.306 -1.396 3.233 1.716 RESID 152 (K): 3.384 ----- -3.857 1.379 2.164 0.925 RESID 153 (S): 23.567 ----- 3.092 3.461 2.349 1.190 RESID 154 (N): 3.877 ----- 1.700 -4.607 3.098 -0.823 RESID 155 (Y): -3.214 ----- 1.898 1.034 2.849 0.362 RESID 156 (N): 1.287 ----- -0.752 -1.543 2.396 -0.665 RESID 157 (F): 6.268 ----- -1.815 -3.187 0.887 -0.676 RESID 158 (E): -4.673 ----- -1.169 15.262 -1.081 -0.541 RESID 159 (K): -6.539 ----- 0.742 -7.550 3.381 -0.505 RESID 160 (P): ----- ----- -2.251 -1.218 1.296 ----- RESID 161 (F): 6.872 ----- -0.675 -1.336 3.074 0.963 RESID 162 (L): -8.966 ----- -2.454 -2.131 2.570 -0.215 RESID 163 (W): 2.230 ----- -0.917 0.452 -0.977 -0.849 RESID 164 (L): 0.921 ----- -3.144 3.224 4.418 1.400 RESID 165 (A): -3.409 ----- -13.802 -2.931 3.728 -0.497 RESID 166 (R): 4.556 ----- -2.785 -9.962 -0.588 0.659 RESID 167 (K): -7.682 ----- -3.072 -0.997 2.470 -0.658 RESID 168 (L): -4.792 ----- -1.305 -0.703 -0.251 -0.608 RESID 169 (I): 6.243 ----- 0.259 0.104 3.591 0.236 RESID 170 (G): 6.372 ----- -11.087 -0.903 ----- -1.198 RESID 171 (D): -8.354 ----- 3.368 0.007 -0.654 -0.851 RESID 172 (P): ----- ----- -0.571 -0.330 -0.392 ----- RESID 173 (N): -5.325 ----- 1.030 2.358 -2.734 -0.314 RESID 174 (L): -13.653 ----- 1.176 0.327 1.265 0.574 RESID 175 (E): -1.059 ----- 2.594 22.190 -5.216 0.802 RESID 176 (F): 12.639 ----- 3.204 1.029 4.505 1.466 RESID 177 (V): -5.073 ----- 3.204 3.659 0.718 -0.169 RESID 178 (A): -2.202 ----- -0.025 -0.788 -3.887 -0.541 RESID 179 (M): 5.644 ----- 3.602 7.400 5.150 0.035 RESID 180 (P): ----- ----- 2.096 2.191 -2.333 ----- RESID 181 (A): 1.289 ----- -0.524 6.667 2.060 0.196 RESID 182 (L): -1.267 ----- 0.574 1.244 -0.686 0.372 RESID 183 (A): -3.624 ----- 3.033 6.934 5.774 -0.105 RESID 184 (P): ----- ----- 1.664 2.255 -1.683 ----- RESID 185 (P): ----- ----- -1.116 0.848 2.536 ----- RESID 186 (E): 0.874 ----- 0.123 0.588 6.176 -0.367 RESID 187 (V): 5.328 ----- 3.969 0.479 2.626 0.860 RESID 188 (V): 1.135 ----- 1.202 6.122 -0.822 0.463 RESID 189 (M): 4.327 ----- 1.921 -2.760 3.568 -1.436 RESID 190 (D): 1.404 ----- -0.193 -3.936 3.111 -1.449 RESID 191 (P): ----- ----- -1.244 -0.571 -0.344 ----- RESID 192 (A): -11.214 ----- ----- -0.305 1.202 -0.569 RESID 193 (L): 1.806 ----- -1.197 0.531 0.959 0.492 RESID 194 (A): 2.392 ----- -10.943 2.656 -2.841 0.747 RESID 195 (A): -0.093 ----- -5.336 3.108 2.251 -0.330 RESID 196 (Q): -11.573 ----- -1.730 -1.739 1.250 0.104 RESID 197 (Y): 1.339 ----- -0.039 -4.292 5.877 -0.106 RESID 198 (E): -9.155 ----- -2.622 -5.904 1.318 -0.432 RESID 199 (H): -0.302 ----- 1.656 -0.565 5.203 0.611 RESID 200 (D): 4.604 ----- -2.165 1.426 -0.813 0.197 RESID 201 (L): -3.900 ----- -0.091 3.369 -0.673 -0.333 RESID 202 (E): -1.164 ----- -2.524 -2.752 1.025 0.982 RESID 203 (V): 12.031 ----- 1.114 -1.474 -3.075 1.767 RESID 204 (A): -13.170 ----- -2.688 -0.226 -0.129 0.536 RESID 205 (Q): 6.988 ----- -0.762 -0.943 4.728 0.151 RESID 206 (T): 6.535 ----- 0.917 2.876 1.270 -0.191 RESID 207 (T): -7.190 ----- 2.714 1.009 3.182 -0.083 RESID 208 (A): -12.229 ----- -8.240 3.239 3.016 -0.873 RESID 209 (L): -6.902 ----- 1.264 5.832 4.255 -0.603 RESID 210 (P): ----- ----- 0.961 0.721 -1.297 ----- RESID 211 (D): -0.372 ----- -0.625 2.324 -0.018 -0.061 RESID 212 (E): 5.264 ----- -0.478 -2.596 -1.245 0.023 RESID 213 (D): 5.277 ----- -0.274 8.378 9.139 -0.275 RESID 214 (D): -9.383 ----- 1.733 -2.266 -0.899 -0.599 RESID 215 (D): 8.394 ----- -0.225 -1.376 -0.402 -0.002 DATA CS_STAT_INFO N RMS: 7.711 ppm Count: 201 Average Difference: 0.447 +/- 7.718 ppm DATA CS_STAT_INFO HA RMS: 0.454 ppm Count: 28 Average Difference: -0.324 +/- 0.323 ppm DATA CS_STAT_INFO C RMS: 3.478 ppm Count: 209 Average Difference: 0.139 +/- 3.484 ppm DATA CS_STAT_INFO CA RMS: 4.587 ppm Count: 210 Average Difference: -0.659 +/- 4.551 ppm DATA CS_STAT_INFO CB RMS: 4.086 ppm Count: 194 Average Difference: -1.021 +/- 3.967 ppm DATA CS_STAT_INFO HN RMS: 0.948 ppm Count: 201 Average Difference: 0.089 +/- 0.946 ppm ############################################################################ For conformer 4: Atom Original Corrected SPARTA Difference RESID 2 (A): N 131.228 131.228 123.340 7.888 RESID 2 (A): C 187.031 187.031 179.449 7.582 RESID 2 (A): CA 53.407 53.407 55.101 -1.694 RESID 2 (A): CB 20.027 20.027 18.289 1.738 RESID 2 (A): H 10.644 10.644 8.320 2.324 RESID 3 (A): N 124.521 124.521 120.421 4.100 RESID 3 (A): C 176.566 176.566 179.126 -2.560 RESID 3 (A): CA 49.894 49.894 54.375 -4.481 RESID 3 (A): CB 18.270 18.270 17.939 0.331 RESID 3 (A): H 8.669 8.669 7.986 0.683 RESID 4 (Q): N 118.080 118.080 117.025 1.055 RESID 4 (Q): C 176.273 176.273 177.225 -0.952 RESID 4 (Q): CA 54.579 54.579 56.342 -1.763 RESID 4 (Q): CB 27.054 27.054 29.116 -2.062 RESID 4 (Q): H 8.919 8.919 8.056 0.863 RESID 5 (G): N 121.002 121.002 106.436 14.566 RESID 5 (G): C 181.877 181.877 173.747 8.130 RESID 5 (G): CA 45.794 45.794 44.946 0.848 RESID 5 (G): H 8.082 8.082 8.177 -0.095 RESID 6 (E): N 129.435 129.435 120.838 8.597 RESID 6 (E): C 176.566 176.566 174.438 2.128 RESID 6 (E): CA 56.336 56.336 52.925 3.411 RESID 6 (E): CB 28.811 28.811 29.835 -1.024 RESID 6 (E): H 9.267 9.267 7.931 1.336 RESID 7 (P): C 176.566 176.566 176.162 0.404 RESID 7 (P): CA 63.672 63.672 62.680 0.992 RESID 7 (P): CB 31.146 31.146 30.806 0.340 RESID 8 (Q): N 112.502 112.502 114.389 -1.887 RESID 8 (Q): C 177.445 177.445 174.690 2.755 RESID 8 (Q): CA 50.479 50.479 58.574 -8.095 RESID 8 (Q): CB 28.811 28.811 26.912 1.899 RESID 8 (Q): H 6.220 6.220 8.666 -2.446 RESID 9 (V): N 117.416 117.416 122.574 -5.158 RESID 9 (V): C 178.324 178.324 174.379 3.945 RESID 9 (V): CA 63.363 63.363 62.188 1.175 RESID 9 (V): CB 34.668 34.668 32.537 2.131 RESID 9 (V): H 6.561 6.561 7.780 -1.219 RESID 10 (Q): N 113.896 113.896 125.544 -11.648 RESID 10 (Q): C 176.273 176.273 174.096 2.177 RESID 10 (Q): CA 55.164 55.164 53.779 1.385 RESID 10 (Q): CB 28.226 28.226 32.642 -4.416 RESID 10 (Q): H 7.847 7.847 8.130 -0.283 RESID 11 (F): N 118.744 118.744 124.229 -5.485 RESID 11 (F): C 176.566 176.566 174.647 1.919 RESID 11 (F): CA 59.849 59.849 56.229 3.620 RESID 11 (F): CB 41.109 41.109 42.864 -1.755 RESID 11 (F): H 8.262 8.262 8.983 -0.721 RESID 12 (K): N 129.437 129.437 125.684 3.753 RESID 12 (K): C 178.609 178.609 174.893 3.716 RESID 12 (K): CA 57.808 57.808 55.852 1.956 RESID 12 (K): H 10.015 10.015 8.950 1.065 RESID 13 (L): N 112.103 112.103 129.458 -17.355 RESID 13 (L): C 177.738 177.738 174.646 3.092 RESID 13 (L): CA 54.579 54.579 53.334 1.245 RESID 13 (L): CB 42.866 42.866 46.374 -3.508 RESID 13 (L): H 6.905 6.905 9.102 -2.197 RESID 14 (V): N 127.310 127.310 126.232 1.078 RESID 14 (V): C 175.393 175.393 174.510 0.883 RESID 14 (V): CA 70.976 70.976 61.644 9.332 RESID 14 (V): CB 28.811 28.811 33.560 -4.749 RESID 14 (V): H 8.305 8.305 8.715 -0.410 RESID 15 (L): N 128.640 128.640 130.147 -1.507 RESID 15 (L): C 177.730 177.730 176.041 1.689 RESID 15 (L): CA 55.758 55.758 54.121 1.637 RESID 15 (L): H 7.718 7.718 8.915 -1.197 RESID 16 (V): N 121.267 121.267 118.805 2.462 RESID 16 (V): C 178.324 178.324 174.399 3.925 RESID 16 (V): CA 63.363 63.363 58.605 4.758 RESID 16 (V): CB 35.839 35.839 35.289 0.550 RESID 16 (V): H 8.935 8.935 8.835 0.100 RESID 17 (G): N 127.908 127.908 107.066 20.842 RESID 17 (G): C 174.514 174.514 172.919 1.595 RESID 17 (G): CA 42.281 42.281 44.553 -2.272 RESID 17 (G): H 9.682 9.682 6.815 2.867 RESID 18 (D): N 125.054 125.054 121.389 3.665 RESID 18 (D): C 176.851 176.851 177.528 -0.677 RESID 18 (D): CA 57.515 57.515 54.552 2.963 RESID 18 (D): CB 46.090 46.090 42.024 4.066 RESID 18 (D): H 8.282 8.282 8.350 -0.068 RESID 19 (G): N 120.670 120.670 106.796 13.874 RESID 19 (G): C 178.324 178.324 174.980 3.344 RESID 19 (G): CA 42.281 42.281 45.944 -3.663 RESID 19 (G): H 8.825 8.825 8.634 0.191 RESID 20 (G): N 129.369 129.369 112.116 17.253 RESID 20 (G): C 174.221 174.221 175.985 -1.764 RESID 20 (G): CA 41.695 41.695 45.684 -3.989 RESID 20 (G): H 8.477 8.477 8.587 -0.110 RESID 21 (T): N 122.199 122.199 114.051 8.148 RESID 21 (T): C 171.291 171.291 175.135 -3.844 RESID 21 (T): CA 61.914 61.914 64.599 -2.685 RESID 21 (T): CB 65.137 65.137 69.247 -4.110 RESID 21 (T): H 8.059 8.059 7.649 0.410 RESID 22 (G): N 112.369 112.369 108.200 4.169 RESID 22 (G): C 184.807 184.807 175.462 9.345 RESID 22 (G): CA 45.209 45.209 45.050 0.159 RESID 22 (G): H 6.772 6.772 8.296 -1.524 RESID 23 (K): N 122.066 122.066 120.591 1.475 RESID 23 (K): C 178.589 178.589 178.228 0.361 RESID 23 (K): CA 58.101 58.101 59.864 -1.763 RESID 23 (K): CB 40.230 40.230 32.409 7.821 RESID 23 (K): H 7.441 7.441 7.586 -0.145 RESID 24 (T): N 114.627 114.627 114.063 0.564 RESID 24 (T): C 178.324 178.324 176.817 1.507 RESID 24 (T): CA 62.192 62.192 67.115 -4.923 RESID 24 (T): CB 71.562 71.562 68.146 3.416 RESID 24 (T): H 8.469 8.469 8.504 -0.035 RESID 25 (T): N 110.377 110.377 119.141 -8.764 RESID 25 (T): C 178.324 178.324 176.072 2.252 RESID 25 (T): CA 64.534 64.534 67.472 -2.938 RESID 25 (T): CB 71.562 71.562 68.398 3.164 RESID 25 (T): H 8.415 8.415 8.168 0.247 RESID 26 (F): N 114.295 114.295 122.479 -8.184 RESID 26 (F): C 174.514 174.514 176.957 -2.443 RESID 26 (F): CA 53.407 53.407 61.943 -8.536 RESID 26 (F): CB 40.524 40.524 39.188 1.336 RESID 26 (F): H 7.707 7.707 8.431 -0.724 RESID 27 (V): N 123.525 123.525 119.803 3.722 RESID 27 (V): C 178.031 178.031 177.602 0.429 RESID 27 (V): CA 67.462 67.462 67.250 0.212 RESID 27 (V): CB 29.397 29.397 31.473 -2.076 RESID 27 (V): H 6.967 6.967 8.234 -1.267 RESID 28 (K): N 114.228 114.228 119.825 -5.597 RESID 28 (K): C 176.566 176.566 178.252 -1.686 RESID 28 (K): CA 58.092 58.092 59.731 -1.639 RESID 28 (K): CB 34.082 34.082 32.188 1.894 RESID 28 (K): H 7.429 7.429 8.183 -0.754 RESID 29 (R): N 112.037 112.037 119.293 -7.256 RESID 29 (R): C 174.221 174.221 179.055 -4.834 RESID 29 (R): CA 72.147 72.147 58.969 13.178 RESID 29 (R): CB 37.596 37.596 29.563 8.033 RESID 29 (R): H 6.803 6.803 7.836 -1.033 RESID 30 (H): N 122.396 122.396 117.231 5.165 RESID 30 (H): C 172.170 172.170 177.114 -4.944 RESID 30 (H): CA 51.651 51.651 59.272 -7.621 RESID 30 (H): CB 30.568 30.568 29.865 0.703 RESID 30 (H): H 7.644 7.644 7.631 0.013 RESID 31 (L): N 110.377 110.377 119.472 -9.095 RESID 31 (L): C 178.031 178.031 178.676 -0.645 RESID 31 (L): CA 55.164 55.164 57.600 -2.436 RESID 31 (L): CB 42.281 42.281 42.164 0.117 RESID 31 (L): H 7.894 7.894 8.135 -0.241 RESID 32 (T): N 121.468 121.468 106.150 15.318 RESID 32 (T): C 170.705 170.705 175.589 -4.884 RESID 32 (T): CA 63.668 63.668 61.812 1.856 RESID 32 (T): CB 75.679 75.679 70.727 4.952 RESID 32 (T): H 8.372 8.372 8.194 0.178 RESID 33 (G): N 127.841 127.841 110.761 17.080 RESID 33 (G): C 161.914 161.914 174.144 -12.230 RESID 33 (G): CA 42.866 42.866 44.827 -1.961 RESID 33 (G): H 9.662 9.662 7.768 1.894 RESID 34 (E): N 120.871 120.871 120.245 0.626 RESID 34 (E): C 174.508 174.508 175.182 -0.674 RESID 34 (E): CA 58.101 58.101 56.297 1.804 RESID 34 (E): CB 34.371 34.371 30.747 3.624 RESID 34 (E): H 8.211 8.211 7.416 0.795 RESID 35 (F): N 111.838 111.838 119.240 -7.402 RESID 35 (F): C 174.221 174.221 175.028 -0.807 RESID 35 (F): CA 49.308 49.308 56.910 -7.602 RESID 35 (F): CB 41.695 41.695 40.563 1.132 RESID 35 (F): H 6.772 6.772 8.597 -1.825 RESID 36 (E): N 120.672 120.672 124.951 -4.279 RESID 36 (E): C 175.686 175.686 175.761 -0.075 RESID 36 (E): CA 58.980 58.980 55.049 3.931 RESID 36 (E): CB 48.140 48.140 30.477 17.663 RESID 36 (E): H 8.293 8.293 8.677 -0.384 RESID 37 (K): N 118.810 118.810 124.917 -6.107 RESID 37 (K): C 172.756 172.756 175.947 -3.191 RESID 37 (K): CA 48.137 48.137 56.584 -8.447 RESID 37 (K): CB 37.010 37.010 33.076 3.934 RESID 37 (K): H 8.509 8.509 8.451 0.058 RESID 38 (K): N 108.052 108.052 120.214 -12.162 RESID 38 (K): C 176.273 176.273 175.497 0.776 RESID 38 (K): CA 59.849 59.849 55.588 4.261 RESID 38 (K): CB 34.668 34.668 33.096 1.572 RESID 38 (K): H 7.715 7.715 7.675 0.040 RESID 39 (Y): N 108.650 108.650 124.281 -15.631 RESID 39 (Y): C 175.686 175.686 175.767 -0.081 RESID 39 (Y): CA 61.020 61.020 58.191 2.829 RESID 39 (Y): CB 36.424 36.424 38.872 -2.448 RESID 39 (Y): H 7.362 7.362 8.695 -1.333 RESID 40 (V): N 117.947 117.947 124.589 -6.642 RESID 40 (V): C 175.393 175.393 175.659 -0.266 RESID 40 (V): CA 61.020 61.020 61.544 -0.524 RESID 40 (V): CB 31.154 31.154 33.677 -2.523 RESID 40 (V): H 8.442 8.442 8.561 -0.119 RESID 42 (T): N 117.150 117.150 117.207 -0.057 RESID 42 (T): C 178.910 178.910 173.772 5.138 RESID 42 (T): CA 60.435 60.435 62.677 -2.242 RESID 42 (T): CB 70.390 70.390 69.711 0.679 RESID 42 (T): H 8.192 8.192 8.362 -0.170 RESID 43 (L): N 119.209 119.209 127.827 -8.618 RESID 43 (L): C 174.807 174.807 177.599 -2.792 RESID 43 (L): CA 57.507 57.507 54.619 2.888 RESID 43 (L): CB 42.866 42.866 42.763 0.103 RESID 43 (L): H 9.260 9.260 8.523 0.737 RESID 44 (G): N 114.361 114.361 113.345 1.016 RESID 44 (G): C 178.910 178.910 172.716 6.194 RESID 44 (G): CA 54.579 54.579 46.011 8.568 RESID 44 (G): H 6.979 6.979 8.674 -1.695 RESID 45 (V): N 110.244 110.244 123.480 -13.236 RESID 45 (V): C 174.807 174.807 174.225 0.582 RESID 45 (V): CA 63.363 63.363 60.237 3.126 RESID 45 (V): CB 17.099 17.099 35.084 -17.985 RESID 45 (V): H 8.309 8.309 8.180 0.129 RESID 46 (E): N 130.365 130.365 129.368 0.997 RESID 46 (E): C 176.859 176.859 174.398 2.461 RESID 46 (E): CA 55.164 55.164 54.562 0.602 RESID 46 (E): CB 32.325 32.325 32.873 -0.548 RESID 46 (E): H 9.741 9.741 8.866 0.875 RESID 47 (V): N 125.254 125.254 126.497 -1.243 RESID 47 (V): C 175.661 175.661 175.712 -0.051 RESID 47 (V): CA 63.375 63.375 61.160 2.215 RESID 47 (V): CB 37.300 37.300 32.097 5.203 RESID 47 (V): H 8.250 8.250 8.307 -0.057 RESID 48 (H): N 129.236 129.236 127.395 1.841 RESID 48 (H): C 169.240 169.240 173.116 -3.876 RESID 48 (H): CA 49.894 49.894 53.448 -3.554 RESID 48 (H): CB 27.640 27.640 32.048 -4.408 RESID 48 (H): H 10.390 10.390 9.124 1.266 RESID 49 (P): C 176.273 176.273 175.652 0.621 RESID 49 (P): CA 62.500 62.500 62.487 0.013 RESID 49 (P): CB 29.974 29.974 32.333 -2.359 RESID 50 (L): N 119.408 119.408 127.510 -8.102 RESID 50 (L): C 177.445 177.445 174.547 2.898 RESID 50 (L): CA 59.264 59.264 54.516 4.748 RESID 50 (L): CB 42.281 42.281 45.433 -3.152 RESID 50 (L): H 7.492 7.492 9.058 -1.566 RESID 51 (V): N 117.947 117.947 126.711 -8.764 RESID 51 (V): C 174.514 174.514 175.484 -0.970 RESID 51 (V): CA 64.534 64.534 61.133 3.401 RESID 51 (V): CB 37.010 37.010 33.416 3.594 RESID 51 (V): H 7.715 7.715 8.125 -0.410 RESID 52 (F): N 124.853 124.853 125.203 -0.350 RESID 52 (F): C 175.100 175.100 174.344 0.756 RESID 52 (F): CA 56.336 56.336 56.504 -0.168 RESID 52 (F): CB 39.938 39.938 43.577 -3.639 RESID 52 (F): H 8.935 8.935 9.124 -0.189 RESID 53 (H): N 120.603 120.603 122.247 -1.644 RESID 53 (H): C 170.119 170.119 175.291 -5.172 RESID 53 (H): CA 55.164 55.164 55.954 -0.790 RESID 53 (H): CB 30.568 30.568 31.332 -0.764 RESID 53 (H): H 8.356 8.356 9.318 -0.962 RESID 54 (T): N 112.634 112.634 116.131 -3.497 RESID 54 (T): C 178.910 178.910 176.264 2.646 RESID 54 (T): CA 63.363 63.363 59.407 3.956 RESID 54 (T): CB 72.733 72.733 71.617 1.116 RESID 54 (T): H 7.574 7.574 8.305 -0.731 RESID 55 (N): N 131.095 131.095 120.102 10.993 RESID 55 (N): C 176.273 176.273 176.528 -0.255 RESID 55 (N): CA 51.065 51.065 55.825 -4.760 RESID 55 (N): CB 37.010 37.010 38.438 -1.428 RESID 55 (N): H 10.187 10.187 8.594 1.593 RESID 56 (R): N 122.064 122.064 118.332 3.732 RESID 56 (R): C 175.100 175.100 176.028 -0.928 RESID 56 (R): CA 61.606 61.606 55.752 5.854 RESID 56 (R): CB 32.911 32.911 30.397 2.514 RESID 56 (R): H 7.433 7.433 7.747 -0.314 RESID 57 (G): N 127.709 127.709 108.798 18.911 RESID 57 (G): C 175.979 175.979 171.936 4.043 RESID 57 (G): CA 42.281 42.281 44.236 -1.955 RESID 57 (G): H 9.373 9.373 7.723 1.650 RESID 58 (P): C 177.152 177.152 176.140 1.012 RESID 58 (P): CA 65.137 65.137 62.893 2.244 RESID 58 (P): CB 29.095 29.095 31.953 -2.858 RESID 59 (I): N 128.638 128.638 115.146 13.492 RESID 59 (I): C 175.979 175.979 173.901 2.078 RESID 59 (I): CA 65.120 65.120 59.177 5.943 RESID 59 (I): CB 40.524 40.524 42.095 -1.571 RESID 59 (I): H 8.794 8.794 8.829 -0.035 RESID 60 (K): N 127.711 127.711 124.172 3.539 RESID 60 (K): C 178.902 178.902 174.785 4.117 RESID 60 (K): CA 74.293 74.293 54.389 19.904 RESID 60 (K): CB 32.027 32.027 36.239 -4.212 RESID 60 (K): H 8.024 8.024 8.536 -0.512 RESID 61 (F): N 120.670 120.670 124.534 -3.864 RESID 61 (F): C 175.393 175.393 175.027 0.366 RESID 61 (F): CA 57.507 57.507 57.010 0.497 RESID 61 (F): CB 41.109 41.109 41.166 -0.057 RESID 61 (F): H 7.515 7.515 9.514 -1.999 RESID 62 (N): N 124.789 124.789 123.898 0.891 RESID 62 (N): C 173.336 173.336 174.533 -1.197 RESID 62 (N): CA 53.121 53.121 52.215 0.906 RESID 62 (N): CB 41.695 41.695 39.124 2.571 RESID 62 (N): H 8.325 8.325 9.398 -1.073 RESID 63 (V): N 106.127 106.127 127.215 -21.088 RESID 63 (V): C 175.100 175.100 175.400 -0.300 RESID 63 (V): CA 61.020 61.020 63.156 -2.136 RESID 63 (V): CB 31.154 31.154 32.680 -1.526 RESID 63 (V): H 8.113 8.113 8.878 -0.765 RESID 64 (W): N 129.302 129.302 130.016 -0.714 RESID 64 (W): C 177.152 177.152 175.066 2.086 RESID 64 (W): CA 59.264 59.264 55.909 3.355 RESID 64 (W): CB 29.397 29.397 29.864 -0.467 RESID 64 (W): H 8.970 8.970 9.606 -0.636 RESID 65 (D): N 119.607 119.607 125.972 -6.365 RESID 65 (D): C 174.514 174.514 175.736 -1.222 RESID 65 (D): CA 55.164 55.164 53.219 1.945 RESID 65 (D): CB 41.109 41.109 42.961 -1.852 RESID 65 (D): H 8.638 8.638 8.944 -0.306 RESID 66 (T): N 122.463 122.463 118.232 4.231 RESID 66 (T): C 178.617 178.617 174.265 4.352 RESID 66 (T): CA 68.048 68.048 59.665 8.383 RESID 66 (T): CB 71.562 71.562 71.070 0.492 RESID 66 (T): H 8.293 8.293 8.351 -0.058 RESID 67 (A): N 104.865 104.865 122.664 -17.799 RESID 67 (A): C 177.738 177.738 178.071 -0.333 RESID 67 (A): CA 48.722 48.722 51.421 -2.699 RESID 67 (A): CB 14.171 14.171 20.183 -6.012 RESID 67 (A): H 8.657 8.657 8.016 0.641 RESID 68 (G): N 115.357 115.357 109.948 5.409 RESID 68 (G): C 189.533 189.533 175.965 13.568 RESID 68 (G): CA 45.209 45.209 45.989 -0.780 RESID 68 (G): H 10.969 10.969 8.944 2.025 RESID 69 (Q): N 122.730 122.730 120.017 2.713 RESID 69 (Q): C 174.508 174.508 176.410 -1.902 RESID 69 (Q): CA 58.394 58.394 57.463 0.931 RESID 69 (Q): CB 31.441 31.441 28.780 2.661 RESID 69 (Q): H 8.336 8.336 8.477 -0.141 RESID 70 (E): N 114.826 114.826 120.278 -5.452 RESID 70 (E): C 176.273 176.273 175.652 0.621 RESID 70 (E): CA 57.507 57.507 56.438 1.069 RESID 70 (E): CB 28.811 28.811 30.332 -1.521 RESID 70 (E): H 9.651 9.651 8.309 1.342 RESID 71 (K): N 116.685 116.685 122.942 -6.257 RESID 71 (K): C 175.979 175.979 176.392 -0.413 RESID 71 (K): CA 48.722 48.722 56.084 -7.362 RESID 71 (K): CB 37.010 37.010 32.910 4.100 RESID 71 (K): H 8.712 8.712 8.290 0.422 RESID 72 (F): N 114.959 114.959 120.117 -5.158 RESID 72 (F): C 175.686 175.686 176.563 -0.877 RESID 72 (F): CA 56.336 56.336 58.826 -2.490 RESID 72 (F): CB 36.424 36.424 38.930 -2.506 RESID 72 (F): H 7.965 7.965 8.016 -0.051 RESID 73 (G): N 117.084 117.084 111.193 5.891 RESID 73 (G): C 168.068 168.068 174.800 -6.732 RESID 73 (G): CA 42.281 42.281 44.828 -2.546 RESID 73 (G): H 7.609 7.609 7.821 -0.212 RESID 74 (G): N 120.537 120.537 108.246 12.291 RESID 74 (G): C 174.514 174.514 176.422 -1.908 RESID 74 (G): CA 44.037 44.037 46.563 -2.526 RESID 74 (G): H 9.326 9.326 8.770 0.556 RESID 75 (L): N 127.177 127.177 120.888 6.289 RESID 75 (L): C 178.617 178.617 178.322 0.295 RESID 75 (L): CA 53.407 53.407 57.037 -3.630 RESID 75 (L): CB 42.281 42.281 41.608 0.673 RESID 75 (L): H 7.628 7.628 7.764 -0.136 RESID 76 (R): N 116.486 116.486 116.389 0.097 RESID 76 (R): C 176.859 176.859 176.828 0.031 RESID 76 (R): CA 59.264 59.264 56.439 2.825 RESID 76 (R): CB 31.154 31.154 29.825 1.329 RESID 76 (R): H 7.143 7.143 7.481 -0.338 RESID 77 (D): N 129.236 129.236 120.874 8.362 RESID 77 (D): C 177.152 177.152 177.895 -0.743 RESID 77 (D): CA 52.822 52.822 57.476 -4.654 RESID 77 (D): CB 41.695 41.695 40.391 1.304 RESID 77 (D): H 8.947 8.947 7.537 1.409 RESID 78 (G): N 127.244 127.244 107.401 19.843 RESID 78 (G): C 173.928 173.928 176.236 -2.308 RESID 78 (G): CA 44.623 44.623 47.066 -2.443 RESID 78 (G): H 8.219 8.219 8.470 -0.251 RESID 79 (Y): N 120.537 120.537 118.696 1.841 RESID 79 (Y): C 176.273 176.273 177.082 -0.809 RESID 79 (Y): CA 58.678 58.678 59.426 -0.748 RESID 79 (Y): CB 40.524 40.524 37.978 2.546 RESID 79 (Y): H 8.563 8.563 7.331 1.232 RESID 80 (Y): N 122.132 122.132 117.379 4.753 RESID 80 (Y): C 175.979 175.979 175.886 0.093 RESID 80 (Y): CA 62.203 62.203 58.971 3.232 RESID 80 (Y): CB 41.988 41.988 40.123 1.865 RESID 80 (Y): H 8.254 8.254 7.472 0.782 RESID 81 (I): N 120.072 120.072 120.304 -0.232 RESID 81 (I): C 177.445 177.445 176.026 1.419 RESID 81 (I): CA 67.462 67.462 63.505 3.957 RESID 81 (I): CB 41.109 41.109 37.987 3.122 RESID 81 (I): H 8.837 8.837 8.305 0.532 RESID 82 (Q): N 121.601 121.601 119.129 2.472 RESID 82 (Q): C 173.342 173.342 174.553 -1.211 RESID 82 (Q): CA 59.859 59.859 56.511 3.348 RESID 82 (Q): CB 30.855 30.855 26.215 4.641 RESID 82 (Q): H 8.184 8.184 9.010 -0.826 RESID 83 (A): N 109.713 109.713 120.034 -10.321 RESID 83 (A): C 175.979 175.979 176.536 -0.557 RESID 83 (A): CA 54.579 54.579 52.744 1.835 RESID 83 (A): CB 16.513 16.513 19.023 -2.510 RESID 83 (A): H 6.306 6.306 7.397 -1.091 RESID 84 (Q): N 121.203 121.203 120.742 0.461 RESID 84 (Q): C 177.144 177.144 175.718 1.426 RESID 84 (Q): CA 60.152 60.152 56.720 3.432 RESID 84 (Q): CB 34.957 34.957 31.193 3.764 RESID 84 (Q): H 8.180 8.180 8.791 -0.611 RESID 85 (C): N 120.605 120.605 111.732 8.873 RESID 85 (C): C 176.566 176.566 172.769 3.797 RESID 85 (C): CA 65.430 65.430 56.380 9.050 RESID 85 (C): CB 39.644 39.644 31.742 7.902 RESID 85 (C): H 8.364 8.364 7.592 0.772 RESID 86 (A): N 114.295 114.295 121.351 -7.056 RESID 86 (A): CA 57.507 57.507 51.090 6.417 RESID 86 (A): CB 21.784 21.784 22.948 -1.164 RESID 86 (A): H 6.897 6.897 8.776 -1.879 RESID 87 (I): N 120.670 120.670 120.353 0.317 RESID 87 (I): C 173.928 173.928 174.597 -0.669 RESID 87 (I): CA 61.020 61.020 59.998 1.022 RESID 87 (I): CB 39.938 39.938 41.598 -1.660 RESID 87 (I): H 8.282 8.282 8.652 -0.370 RESID 88 (I): N 120.205 120.205 127.268 -7.063 RESID 88 (I): C 173.635 173.635 174.871 -1.236 RESID 88 (I): CA 64.534 64.534 60.159 4.375 RESID 88 (I): CB 37.596 37.596 40.029 -2.433 RESID 88 (I): H 5.528 5.528 8.954 -3.426 RESID 89 (M): N 120.472 120.472 126.184 -5.712 RESID 89 (M): C 178.617 178.617 175.011 3.606 RESID 89 (M): CA 58.980 58.980 54.311 4.669 RESID 89 (M): CB 34.957 34.957 35.107 -0.150 RESID 89 (M): H 8.176 8.176 8.718 -0.542 RESID 90 (F): N 121.134 121.134 118.618 2.516 RESID 90 (F): C 175.393 175.393 172.980 2.413 RESID 90 (F): CA 60.435 60.435 55.348 5.087 RESID 90 (F): CB 38.767 38.767 42.082 -3.315 RESID 90 (F): H 9.334 9.334 8.676 0.658 RESID 91 (D): N 120.273 120.273 120.592 -0.319 RESID 91 (D): C 177.730 177.730 178.088 -0.358 RESID 91 (D): CA 59.859 59.859 52.335 7.524 RESID 91 (D): CB 44.039 44.039 42.828 1.211 RESID 91 (D): H 7.597 7.597 8.921 -1.324 RESID 92 (V): N 115.158 115.158 123.400 -8.242 RESID 92 (V): C 173.342 173.342 176.527 -3.185 RESID 92 (V): CA 64.534 64.534 64.912 -0.378 RESID 92 (V): CB 37.596 37.596 31.327 6.269 RESID 92 (V): H 7.738 7.738 8.508 -0.770 RESID 93 (T): N 127.179 127.179 110.284 16.895 RESID 93 (T): C 178.902 178.902 174.712 4.190 RESID 93 (T): CA 64.254 64.254 62.910 1.344 RESID 93 (T): CB 74.215 74.215 69.166 5.049 RESID 93 (T): H 7.636 7.636 8.183 -0.547 RESID 94 (S): N 122.263 122.263 116.469 5.794 RESID 94 (S): C 163.965 163.965 174.858 -10.893 RESID 94 (S): CA 59.849 59.849 55.548 4.301 RESID 94 (S): CB 62.192 62.192 64.175 -1.983 RESID 94 (S): H 7.628 7.628 7.939 -0.311 RESID 95 (R): N 113.099 113.099 128.562 -15.463 RESID 95 (R): C 176.273 176.273 178.120 -1.847 RESID 95 (R): CA 53.407 53.407 59.605 -6.198 RESID 95 (R): CB 31.154 31.154 30.104 1.050 RESID 95 (R): H 8.102 8.102 9.073 -0.971 RESID 96 (V): N 124.787 124.787 119.271 5.516 RESID 96 (V): C 178.031 178.031 177.746 0.285 RESID 96 (V): CA 68.634 68.634 66.416 2.218 RESID 96 (V): CB 24.126 24.126 31.357 -7.231 RESID 96 (V): H 9.146 9.146 8.138 1.008 RESID 97 (T): N 111.970 111.970 116.219 -4.249 RESID 97 (T): C 178.031 178.031 176.026 2.005 RESID 97 (T): CA 63.949 63.949 66.386 -2.437 RESID 97 (T): CB 70.390 70.390 69.005 1.385 RESID 97 (T): H 7.984 7.984 7.651 0.333 RESID 98 (Y): N 113.232 113.232 121.183 -7.951 RESID 98 (Y): C 176.273 176.273 177.493 -1.220 RESID 98 (Y): H 7.605 7.605 7.763 -0.158 RESID 99 (K): N 123.726 123.726 118.669 5.057 RESID 99 (K): C 178.316 178.316 178.461 -0.145 RESID 99 (K): CA 58.691 58.691 59.404 -0.713 RESID 99 (K): CB 36.127 36.127 32.016 4.111 RESID 99 (K): H 8.360 8.360 8.063 0.297 RESID 100 (N): N 111.970 111.970 116.149 -4.179 RESID 100 (N): C 175.979 175.979 176.781 -0.802 RESID 100 (N): CA 53.407 53.407 55.109 -1.702 RESID 100 (N): CB 37.596 37.596 38.734 -1.138 RESID 100 (N): H 5.778 5.778 7.779 -2.001 RESID 101 (V): N 118.877 118.877 121.658 -2.781 RESID 101 (V): C 173.635 173.635 174.979 -1.344 RESID 101 (V): CA 62.777 62.777 68.479 -5.702 RESID 101 (V): CB 27.054 27.054 29.255 -2.201 RESID 101 (V): H 7.370 7.370 7.619 -0.249 RESID 102 (P): C 176.566 176.566 177.162 -0.596 RESID 102 (P): CA 62.500 62.500 65.315 -2.815 RESID 102 (P): CB 30.853 30.853 31.069 -0.216 RESID 103 (N): N 122.728 122.728 114.764 7.964 RESID 103 (N): C 175.100 175.100 176.845 -1.745 RESID 103 (N): CA 54.579 54.579 54.464 0.115 RESID 103 (N): CB 38.767 38.767 37.571 1.196 RESID 103 (N): H 7.879 7.879 7.416 0.463 RESID 104 (W): N 122.730 122.730 120.132 2.598 RESID 104 (W): C 174.215 174.215 177.503 -3.288 RESID 104 (W): CA 59.273 59.273 60.584 -1.312 RESID 104 (W): CB 35.250 35.250 30.032 5.218 RESID 104 (W): H 7.902 7.902 7.622 0.280 RESID 105 (H): N 120.869 120.869 116.939 3.930 RESID 105 (H): C 177.738 177.738 174.300 3.438 RESID 105 (H): H 6.971 6.971 8.438 -1.467 RESID 106 (R): N 126.314 126.314 123.252 3.062 RESID 106 (R): C 176.566 176.566 176.440 0.126 RESID 106 (R): CA 62.777 62.777 57.685 5.092 RESID 106 (R): CB 29.397 29.397 31.035 -1.638 RESID 106 (R): H 7.507 7.507 7.887 -0.380 RESID 107 (D): N 119.076 119.076 121.639 -2.563 RESID 107 (D): C 176.566 176.566 178.442 -1.876 RESID 107 (D): CA 55.164 55.164 57.720 -2.556 RESID 107 (D): CB 41.695 41.695 41.041 0.654 RESID 107 (D): H 9.076 9.076 7.909 1.167 RESID 108 (L): N 113.299 113.299 119.300 -6.001 RESID 108 (L): C 176.273 176.273 178.498 -2.225 RESID 108 (L): CA 59.264 59.264 58.374 0.889 RESID 108 (L): CB 48.722 48.722 41.444 7.278 RESID 108 (L): H 6.725 6.725 7.887 -1.162 RESID 109 (V): N 121.267 121.267 113.959 7.308 RESID 109 (V): C 175.393 175.393 178.101 -2.708 RESID 109 (V): CA 63.949 63.949 64.649 -0.700 RESID 109 (V): CB 32.911 32.911 30.989 1.922 RESID 109 (V): H 8.763 8.763 7.632 1.131 RESID 110 (R): N 112.900 112.900 120.438 -7.538 RESID 110 (R): C 176.273 176.273 177.503 -1.230 RESID 110 (R): CA 57.507 57.507 59.202 -1.695 RESID 110 (R): CB 30.568 30.568 30.430 0.138 RESID 110 (R): H 7.241 7.241 7.825 -0.584 RESID 111 (V): N 115.556 115.556 113.628 1.928 RESID 111 (V): C 177.445 177.445 176.854 0.591 RESID 111 (V): CA 59.849 59.849 64.001 -4.152 RESID 111 (V): CB 32.911 32.911 33.083 -0.172 RESID 111 (V): H 7.566 7.566 7.725 -0.159 RESID 112 (C): N 114.295 114.295 117.006 -2.711 RESID 112 (C): C 169.826 169.826 174.870 -5.044 RESID 112 (C): CA 57.507 57.507 59.352 -1.845 RESID 112 (C): CB 35.839 35.839 29.229 6.610 RESID 112 (C): H 7.425 7.425 8.284 -0.859 RESID 113 (E): N 116.486 116.486 117.737 -1.251 RESID 113 (E): C 176.566 176.566 175.826 0.740 RESID 113 (E): CA 69.219 69.219 58.356 10.863 RESID 113 (E): CB 30.568 30.568 28.246 2.322 RESID 113 (E): H 7.241 7.241 8.034 -0.793 RESID 114 (N): N 129.302 129.302 121.959 7.343 RESID 114 (N): C 175.100 175.100 174.754 0.346 RESID 114 (N): CA 52.236 52.236 53.029 -0.793 RESID 114 (N): CB 39.938 39.938 38.112 1.826 RESID 114 (N): H 8.919 8.919 8.241 0.678 RESID 115 (I): N 110.443 110.443 121.149 -10.706 RESID 115 (I): C 175.100 175.100 173.180 1.920 RESID 115 (I): CA 65.705 65.705 58.028 7.678 RESID 115 (I): CB 39.353 39.353 39.841 -0.488 RESID 115 (I): H 9.287 9.287 7.806 1.481 RESID 116 (P): C 175.979 175.979 175.545 0.434 RESID 116 (P): CA 63.086 63.086 63.280 -0.194 RESID 116 (P): CB 29.681 29.681 32.196 -2.515 RESID 117 (I): N 123.591 123.591 124.415 -0.824 RESID 117 (I): C 174.807 174.807 174.913 -0.106 RESID 117 (I): CA 66.291 66.291 60.365 5.926 RESID 117 (I): CB 38.767 38.767 42.273 -3.506 RESID 117 (I): H 7.781 7.781 8.496 -0.715 RESID 118 (V): N 119.009 119.009 125.884 -6.875 RESID 118 (V): C 178.324 178.324 174.743 3.581 RESID 118 (V): CA 62.777 62.777 60.888 1.889 RESID 118 (V): CB 31.154 31.154 34.079 -2.925 RESID 118 (V): H 8.767 8.767 8.651 0.116 RESID 119 (L): N 119.408 119.408 126.873 -7.465 RESID 119 (L): C 178.031 178.031 176.068 1.963 RESID 119 (L): CA 42.866 42.866 53.807 -10.941 RESID 119 (L): CB 38.767 38.767 43.830 -5.063 RESID 119 (L): H 7.734 7.734 9.255 -1.521 RESID 120 (C): N 113.232 113.232 122.185 -8.953 RESID 120 (C): C 178.031 178.031 174.199 3.832 RESID 120 (C): H 8.317 8.317 9.142 -0.825 RESID 121 (G): N 117.349 117.349 112.976 4.373 RESID 121 (G): C 176.851 176.851 173.151 3.700 RESID 121 (G): CA 41.109 41.109 43.588 -2.479 RESID 121 (G): H 7.515 7.515 8.975 -1.460 RESID 122 (N): N 125.318 125.318 125.662 -0.344 RESID 122 (N): C 175.686 175.686 175.575 0.111 RESID 122 (N): CA 50.479 50.479 52.790 -2.311 RESID 122 (N): CB 39.353 39.353 40.517 -1.164 RESID 122 (N): H 9.162 9.162 8.509 0.653 RESID 123 (K): N 122.132 122.132 114.054 8.078 RESID 123 (K): C 173.043 173.043 177.277 -4.234 RESID 123 (K): CA 58.101 58.101 57.370 0.731 RESID 123 (K): CB 35.543 35.543 30.146 5.397 RESID 123 (K): H 7.953 7.953 8.846 -0.893 RESID 124 (V): N 123.726 123.726 112.907 10.819 RESID 124 (V): C 175.679 175.679 175.889 -0.210 RESID 124 (V): CA 64.840 64.840 64.005 0.835 RESID 124 (V): CB 42.574 42.574 31.463 11.111 RESID 124 (V): H 8.555 8.555 7.587 0.968 RESID 125 (D): N 119.607 119.607 119.324 0.283 RESID 125 (D): C 176.566 176.566 176.918 -0.352 RESID 125 (D): CA 55.750 55.750 56.149 -0.399 RESID 125 (D): CB 40.524 40.524 41.122 -0.598 RESID 125 (D): H 7.875 7.875 8.086 -0.211 RESID 126 (I): N 116.088 116.088 120.488 -4.400 RESID 126 (I): C 177.152 177.152 176.425 0.727 RESID 126 (I): CA 66.291 66.291 61.763 4.528 RESID 126 (I): CB 39.353 39.353 38.412 0.941 RESID 126 (I): H 7.511 7.511 7.530 -0.019 RESID 127 (K): N 121.203 121.203 127.044 -5.841 RESID 127 (K): C 175.979 175.979 177.150 -1.171 RESID 127 (K): CA 58.101 58.101 58.714 -0.612 RESID 127 (K): CB 35.834 35.834 32.644 3.190 RESID 127 (K): H 8.113 8.113 8.477 -0.364 RESID 128 (D): N 118.279 118.279 119.576 -1.297 RESID 128 (D): C 176.566 176.566 175.214 1.352 RESID 128 (D): CA 53.407 53.407 53.039 0.368 RESID 128 (D): CB 40.524 40.524 39.706 0.818 RESID 128 (D): H 7.241 7.241 8.261 -1.020 RESID 129 (R): N 118.943 118.943 123.003 -4.060 RESID 129 (R): C 177.738 177.738 176.646 1.092 RESID 129 (R): CA 45.794 45.794 56.478 -10.684 RESID 129 (R): CB 31.154 31.154 30.794 0.360 RESID 129 (R): H 8.423 8.423 7.782 0.641 RESID 130 (K): N 109.381 109.381 122.049 -12.668 RESID 130 (K): C 176.566 176.566 176.842 -0.276 RESID 130 (K): CA 55.164 55.164 57.379 -2.215 RESID 130 (K): CB 36.424 36.424 33.713 2.711 RESID 130 (K): H 7.296 7.296 8.289 -0.993 RESID 131 (V): N 110.377 110.377 121.234 -10.857 RESID 131 (V): C 178.617 178.617 175.015 3.602 RESID 131 (V): CA 65.705 65.705 61.892 3.813 RESID 131 (V): CB 35.839 35.839 31.461 4.378 RESID 131 (V): H 9.283 9.283 7.941 1.342 RESID 132 (K): N 110.310 110.310 128.028 -17.718 RESID 132 (K): C 176.273 176.273 177.530 -1.257 RESID 132 (K): CA 59.849 59.849 55.769 4.080 RESID 132 (K): CB 35.253 35.253 33.572 1.681 RESID 132 (K): H 9.709 9.709 8.209 1.500 RESID 133 (A): N 134.349 134.349 127.249 7.100 RESID 133 (A): CA 51.065 51.065 54.807 -3.742 RESID 133 (A): CB 12.999 12.999 18.606 -5.607 RESID 133 (A): H 6.322 6.322 8.747 -2.425 RESID 134 (K): N 117.615 117.615 117.197 0.418 RESID 134 (K): C 176.859 176.859 177.387 -0.528 RESID 134 (K): CA 55.750 55.750 58.329 -2.579 RESID 134 (K): CB 54.579 54.579 32.419 22.160 RESID 134 (K): H 6.549 6.549 8.240 -1.691 RESID 135 (S): N 109.314 109.314 112.730 -3.416 RESID 135 (S): C 173.635 173.635 175.052 -1.417 RESID 135 (S): CA 56.336 56.336 59.716 -3.380 RESID 135 (S): CB 63.949 63.949 63.238 0.711 RESID 135 (S): H 7.840 7.840 7.496 0.344 RESID 136 (I): N 124.123 124.123 121.983 2.140 RESID 136 (I): C 175.100 175.100 176.056 -0.956 RESID 136 (I): CA 68.634 68.634 62.789 5.845 RESID 136 (I): CB 43.452 43.452 37.933 5.519 RESID 136 (I): H 8.098 8.098 7.286 0.812 RESID 137 (V): N 113.232 113.232 122.058 -8.826 RESID 137 (V): C 176.859 176.859 176.186 0.673 RESID 137 (V): CA 64.534 64.534 61.534 3.000 RESID 137 (V): CB 34.082 34.082 33.010 1.072 RESID 137 (V): H 7.711 7.711 8.079 -0.368 RESID 138 (F): N 118.279 118.279 123.290 -5.011 RESID 138 (F): C 175.393 175.393 176.267 -0.874 RESID 138 (F): CA 58.092 58.092 62.552 -4.460 RESID 138 (F): CB 39.353 39.353 39.233 0.120 RESID 138 (F): H 8.317 8.317 7.625 0.692 RESID 139 (H): N 120.605 120.605 115.513 5.092 RESID 139 (H): C 175.979 175.979 176.989 -1.010 RESID 139 (H): CA 67.775 67.775 59.224 8.551 RESID 139 (H): CB 35.836 35.836 28.855 6.981 RESID 139 (H): H 8.094 8.094 8.906 -0.812 RESID 140 (R): N 120.140 120.140 120.072 0.068 RESID 140 (R): C 178.023 178.023 179.135 -1.112 RESID 140 (R): CA 58.394 58.394 59.147 -0.753 RESID 140 (R): CB 39.644 39.644 29.778 9.866 RESID 140 (R): H 8.149 8.149 6.986 1.163 RESID 141 (K): N 115.623 115.623 119.641 -4.018 RESID 141 (K): C 173.635 173.635 178.009 -4.374 RESID 141 (K): CA 58.092 58.092 58.796 -0.704 RESID 141 (K): CB 33.496 33.496 32.253 1.243 RESID 141 (K): H 7.449 7.449 7.380 0.069 RESID 142 (K): N 114.162 114.162 115.253 -1.091 RESID 142 (K): C 175.979 175.979 175.714 0.265 RESID 142 (K): CA 51.065 51.065 54.938 -3.873 RESID 142 (K): CB 34.668 34.668 32.008 2.660 RESID 142 (K): H 8.982 8.982 7.589 1.393 RESID 143 (N): N 112.103 112.103 115.536 -3.433 RESID 143 (N): C 175.100 175.100 174.197 0.903 RESID 143 (N): CA 53.407 53.407 54.080 -0.673 RESID 143 (N): CB 39.938 39.938 36.318 3.620 RESID 143 (N): H 7.402 7.402 7.764 -0.362 RESID 144 (L): N 118.810 118.810 117.111 1.699 RESID 144 (L): CA 53.993 53.993 53.488 0.505 RESID 144 (L): CB 42.866 42.866 44.075 -1.209 RESID 144 (L): H 7.793 7.793 8.028 -0.235 RESID 145 (Q): N 119.607 119.607 118.136 1.471 RESID 145 (Q): C 176.859 176.859 174.278 2.581 RESID 145 (Q): CA 55.164 55.164 53.678 1.486 RESID 145 (Q): CB 29.983 29.983 30.931 -0.949 RESID 145 (Q): H 7.014 7.014 8.181 -1.167 RESID 146 (Y): N 119.275 119.275 124.304 -5.029 RESID 146 (Y): C 174.807 174.807 174.318 0.489 RESID 146 (Y): CA 62.777 62.777 56.027 6.750 RESID 146 (Y): CB 41.109 41.109 40.800 0.309 RESID 146 (Y): H 9.350 9.350 8.128 1.222 RESID 147 (Y): N 123.658 123.658 125.246 -1.588 RESID 147 (Y): C 177.738 177.738 173.742 3.996 RESID 147 (Y): CA 58.092 58.092 56.278 1.814 RESID 147 (Y): CB 39.938 39.938 42.098 -2.160 RESID 147 (Y): H 8.340 8.340 8.626 -0.286 RESID 148 (D): N 121.267 121.267 123.635 -2.368 RESID 148 (D): C 176.859 176.859 175.271 1.588 RESID 148 (D): CA 54.579 54.579 54.462 0.117 RESID 148 (D): CB 41.109 41.109 41.763 -0.654 RESID 148 (D): H 8.911 8.911 8.333 0.578 RESID 149 (I): N 119.607 119.607 118.467 1.140 RESID 149 (I): C 174.807 174.807 174.181 0.626 RESID 149 (I): CA 61.020 61.020 59.168 1.852 RESID 149 (I): CB 39.353 39.353 42.688 -3.335 RESID 149 (I): H 8.712 8.712 8.712 -0.000 RESID 150 (S): N 117.349 117.349 116.111 1.238 RESID 150 (S): C 175.686 175.686 174.457 1.229 RESID 150 (S): CA 60.435 60.435 55.690 4.745 RESID 150 (S): CB 62.192 62.192 65.278 -3.086 RESID 150 (S): H 8.454 8.454 8.577 -0.123 RESID 151 (A): N 131.162 131.162 131.386 -0.224 RESID 151 (A): C 160.742 160.742 178.737 -17.995 RESID 151 (A): CA 53.993 53.993 54.871 -0.878 RESID 151 (A): CB 22.369 22.369 18.970 3.399 RESID 151 (A): H 10.640 10.640 9.005 1.635 RESID 152 (K): N 121.400 121.400 116.370 5.030 RESID 152 (K): C 174.221 174.221 177.595 -3.374 RESID 152 (K): CA 59.849 59.849 58.812 1.037 RESID 152 (K): CB 34.668 34.668 32.811 1.857 RESID 152 (K): H 9.099 9.099 8.331 0.768 RESID 153 (S): N 135.212 135.212 110.100 25.112 RESID 153 (S): C 177.152 177.152 174.159 2.993 RESID 153 (S): CA 62.192 62.192 58.090 4.102 RESID 153 (S): CB 66.291 66.291 64.718 1.573 RESID 153 (S): H 8.935 8.935 7.792 1.143 RESID 154 (N): N 119.341 119.341 114.236 5.105 RESID 154 (N): C 175.979 175.979 174.199 1.780 RESID 154 (N): CA 49.894 49.894 54.819 -4.925 RESID 154 (N): CB 39.353 39.353 36.859 2.494 RESID 154 (N): H 7.488 7.488 8.470 -0.982 RESID 155 (Y): N 120.074 120.074 123.192 -3.118 RESID 155 (Y): C 177.144 177.144 175.273 1.871 RESID 155 (Y): CA 60.738 60.738 60.109 0.629 RESID 155 (Y): CB 41.402 41.402 38.228 3.174 RESID 155 (Y): H 7.945 7.945 7.509 0.436 RESID 156 (N): N 124.058 124.058 122.592 1.466 RESID 156 (N): C 175.679 175.679 176.360 -0.681 RESID 156 (N): CA 53.121 53.121 54.613 -1.492 RESID 156 (N): CB 38.179 38.179 35.724 2.455 RESID 156 (N): H 8.192 8.192 8.535 -0.343 RESID 157 (F): N 123.459 123.459 117.008 6.451 RESID 157 (F): C 174.221 174.221 176.691 -2.470 RESID 157 (F): CA 57.507 57.507 60.973 -3.466 RESID 157 (F): CB 39.353 39.353 38.139 1.214 RESID 157 (F): H 7.429 7.429 8.469 -1.040 RESID 158 (E): N 112.568 112.568 117.345 -4.777 RESID 158 (E): C 176.566 176.566 177.796 -1.230 RESID 158 (E): CA 72.147 72.147 56.579 15.568 RESID 158 (E): CB 27.640 27.640 28.515 -0.875 RESID 158 (E): H 7.495 7.495 7.875 -0.380 RESID 159 (K): N 113.232 113.232 120.289 -7.057 RESID 159 (K): C 176.566 176.566 175.656 0.910 RESID 159 (K): CA 53.993 53.993 61.517 -7.524 RESID 159 (K): CB 33.496 33.496 30.067 3.429 RESID 159 (K): H 6.862 6.862 7.326 -0.464 RESID 160 (P): C 176.273 176.273 178.573 -2.300 RESID 160 (P): CA 64.258 64.258 65.703 -1.445 RESID 160 (P): CB 32.318 32.318 31.152 1.166 RESID 161 (F): N 123.726 123.726 116.016 7.710 RESID 161 (F): C 176.851 176.851 177.558 -0.707 RESID 161 (F): CA 60.445 60.445 61.938 -1.493 RESID 161 (F): CB 40.816 40.816 37.820 2.996 RESID 161 (F): H 8.215 8.215 7.328 0.887 RESID 162 (L): N 110.177 110.177 119.220 -9.043 RESID 162 (L): C 176.273 176.273 178.728 -2.455 RESID 162 (L): CA 55.750 55.750 57.921 -2.171 RESID 162 (L): CB 44.037 44.037 41.486 2.551 RESID 162 (L): H 7.527 7.527 7.968 -0.441 RESID 163 (W): N 123.525 123.525 121.388 2.137 RESID 163 (W): C 177.152 177.152 177.923 -0.771 RESID 163 (W): CA 61.606 61.606 60.882 0.724 RESID 163 (W): CB 28.811 28.811 29.780 -0.969 RESID 163 (W): H 7.476 7.476 8.371 -0.895 RESID 164 (L): N 119.740 119.740 118.833 0.907 RESID 164 (L): C 175.686 175.686 178.797 -3.111 RESID 164 (L): CA 61.020 61.020 57.637 3.383 RESID 164 (L): CB 45.794 45.794 41.330 4.464 RESID 164 (L): H 9.412 9.412 7.978 1.434 RESID 165 (A): N 118.013 118.013 121.544 -3.531 RESID 165 (A): C 165.723 165.723 179.244 -13.521 RESID 165 (A): CA 52.236 52.236 55.193 -2.957 RESID 165 (A): CB 21.784 21.784 18.317 3.467 RESID 165 (A): H 7.707 7.707 8.284 -0.577 RESID 166 (R): N 122.994 122.994 118.369 4.625 RESID 166 (R): C 175.979 175.979 178.739 -2.760 RESID 166 (R): CA 49.308 49.308 59.254 -9.946 RESID 166 (R): CB 29.397 29.397 30.066 -0.669 RESID 166 (R): H 8.692 8.692 8.044 0.648 RESID 167 (K): N 112.568 112.568 120.152 -7.584 RESID 167 (K): C 176.273 176.273 179.284 -3.011 RESID 167 (K): CA 58.092 58.092 58.969 -0.877 RESID 167 (K): CB 34.668 34.668 31.992 2.676 RESID 167 (K): H 6.819 6.819 7.349 -0.530 RESID 168 (L): N 114.959 114.959 119.689 -4.730 RESID 168 (L): C 177.738 177.738 179.025 -1.287 RESID 168 (L): CA 56.921 56.921 57.569 -0.648 RESID 168 (L): CB 41.695 41.695 41.883 -0.188 RESID 168 (L): H 7.269 7.269 7.765 -0.496 RESID 169 (I): N 122.199 122.199 116.202 5.997 RESID 169 (I): C 177.445 177.445 177.142 0.303 RESID 169 (I): CA 63.375 63.375 63.449 -0.074 RESID 169 (I): CB 42.281 42.281 38.673 3.607 RESID 169 (I): H 8.360 8.360 8.113 0.247 RESID 170 (G): N 113.099 113.099 106.340 6.759 RESID 170 (G): C 162.496 162.496 173.828 -11.332 RESID 170 (G): CA 44.037 44.037 44.918 -0.881 RESID 170 (G): H 6.686 6.686 8.023 -1.337 RESID 171 (D): N 113.232 113.232 121.525 -8.293 RESID 171 (D): C 178.910 178.910 176.072 2.838 RESID 171 (D): CA 50.479 50.479 50.498 -0.019 RESID 171 (D): CB 41.109 41.109 42.145 -1.036 RESID 171 (D): H 6.815 6.815 7.554 -0.739 RESID 172 (P): C 176.566 176.566 177.166 -0.600 RESID 172 (P): CA 63.965 63.965 64.343 -0.378 RESID 172 (P): CB 31.732 31.732 32.184 -0.452 RESID 173 (N): N 109.779 109.779 114.982 -5.203 RESID 173 (N): C 175.979 175.979 175.050 0.929 RESID 173 (N): CA 54.579 54.579 52.603 1.976 RESID 173 (N): CB 36.424 36.424 39.563 -3.139 RESID 173 (N): H 8.016 8.016 8.358 -0.342 RESID 174 (L): N 109.248 109.248 123.029 -13.781 RESID 174 (L): C 176.566 176.566 175.144 1.422 RESID 174 (L): CA 56.336 56.336 55.949 0.387 RESID 174 (L): CB 44.037 44.037 42.838 1.199 RESID 174 (L): H 7.871 7.871 7.276 0.595 RESID 175 (E): N 125.185 125.185 124.435 0.750 RESID 175 (E): C 177.445 177.445 174.925 2.520 RESID 175 (E): CA 76.247 76.247 54.072 22.175 RESID 175 (E): CB 28.811 28.811 33.929 -5.118 RESID 175 (E): H 9.127 9.127 8.318 0.809 RESID 176 (F): N 136.873 136.873 123.293 13.580 RESID 176 (F): C 178.617 178.617 175.818 2.799 RESID 176 (F): CA 59.264 59.264 58.481 0.783 RESID 176 (F): CB 44.623 44.623 39.840 4.783 RESID 176 (F): H 10.058 10.058 8.615 1.443 RESID 177 (V): N 118.877 118.877 122.131 -3.254 RESID 177 (V): C 177.445 177.445 174.664 2.781 RESID 177 (V): CA 62.777 62.777 59.568 3.209 RESID 177 (V): CB 34.668 34.668 34.313 0.355 RESID 177 (V): H 7.789 7.789 8.116 -0.327 RESID 178 (A): N 123.859 123.859 128.528 -4.669 RESID 178 (A): C 177.144 177.144 177.459 -0.315 RESID 178 (A): CA 54.000 54.000 53.900 0.100 RESID 178 (A): CB 15.035 15.035 18.355 -3.320 RESID 178 (A): H 7.683 7.683 7.999 -0.316 RESID 179 (M): N 121.668 121.668 115.633 6.035 RESID 179 (M): C 177.144 177.144 173.244 3.900 RESID 179 (M): CA 60.445 60.445 54.723 5.722 RESID 179 (M): CB 39.351 39.351 32.756 6.595 RESID 179 (M): H 7.648 7.648 7.848 -0.200 RESID 180 (P): C 177.445 177.445 175.707 1.738 RESID 180 (P): CA 64.844 64.844 62.789 2.055 RESID 180 (P): CB 29.974 29.974 32.032 -2.058 RESID 181 (A): N 128.439 128.439 126.213 2.226 RESID 181 (A): C 176.273 176.273 178.061 -1.788 RESID 181 (A): CA 58.092 58.092 52.228 5.864 RESID 181 (A): CB 21.198 21.198 19.440 1.758 RESID 181 (A): H 8.673 8.673 8.120 0.553 RESID 182 (L): N 122.130 122.130 122.381 -0.251 RESID 182 (L): C 177.445 177.445 177.549 -0.104 RESID 182 (L): CA 55.164 55.164 54.370 0.794 RESID 182 (L): CB 42.866 42.866 42.354 0.512 RESID 182 (L): H 8.821 8.821 8.172 0.649 RESID 183 (A): N 121.004 121.004 127.244 -6.240 RESID 183 (A): C 178.617 178.617 176.079 2.538 RESID 183 (A): CA 57.808 57.808 50.904 6.904 RESID 183 (A): CB 24.117 24.117 18.326 5.791 RESID 183 (A): H 8.356 8.356 8.357 -0.001 RESID 184 (P): C 177.152 177.152 174.890 2.262 RESID 184 (P): CA 64.258 64.258 61.684 2.574 RESID 184 (P): CB 29.681 29.681 31.580 -1.899 RESID 185 (P): C 175.686 175.686 176.767 -1.081 RESID 185 (P): CA 63.379 63.379 62.799 0.580 RESID 185 (P): CB 35.248 35.248 32.322 2.925 RESID 186 (E): N 120.539 120.539 123.672 -3.133 RESID 186 (E): C 176.273 176.273 176.297 -0.024 RESID 186 (E): CA 58.101 58.101 57.226 0.875 RESID 186 (E): CB 35.836 35.836 29.648 6.189 RESID 186 (E): H 8.086 8.086 8.508 -0.422 RESID 187 (V): N 124.455 124.455 115.268 9.187 RESID 187 (V): C 178.910 178.910 175.094 3.816 RESID 187 (V): CA 63.363 63.363 62.776 0.587 RESID 187 (V): CB 34.082 34.082 30.910 3.172 RESID 187 (V): H 8.622 8.622 7.607 1.015 RESID 188 (V): N 128.572 128.572 123.105 5.467 RESID 188 (V): C 178.324 178.324 177.199 1.125 RESID 188 (V): CA 68.634 68.634 63.358 5.277 RESID 188 (V): CB 31.154 31.154 31.905 -0.751 RESID 188 (V): H 8.497 8.497 7.975 0.522 RESID 189 (M): N 122.795 122.795 119.325 3.470 RESID 189 (M): C 177.445 177.445 175.821 1.624 RESID 189 (M): CA 55.164 55.164 55.889 -0.725 RESID 189 (M): CB 35.253 35.253 33.190 2.063 RESID 189 (M): H 6.991 6.991 7.568 -0.577 RESID 190 (D): N 114.959 114.959 119.878 -4.919 RESID 190 (D): C 175.686 175.686 175.819 -0.133 RESID 190 (D): CA 51.065 51.065 55.872 -4.807 RESID 190 (D): CB 41.695 41.695 40.325 1.370 RESID 190 (D): H 7.210 7.210 8.556 -1.346 RESID 191 (P): C 176.566 176.566 178.091 -1.525 RESID 191 (P): CA 63.965 63.965 65.142 -1.177 RESID 191 (P): CB 31.146 31.146 31.349 -0.202 RESID 192 (A): N 109.513 109.513 120.586 -11.073 RESID 192 (A): CA 53.993 53.993 54.233 -0.240 RESID 192 (A): CB 19.441 19.441 18.303 1.138 RESID 192 (A): H 7.394 7.394 7.870 -0.475 RESID 193 (L): N 119.009 119.009 118.107 0.902 RESID 193 (L): C 175.979 175.979 177.292 -1.313 RESID 193 (L): CA 56.336 56.336 55.429 0.906 RESID 193 (L): CB 42.866 42.866 41.776 1.090 RESID 193 (L): H 8.340 8.340 7.759 0.581 RESID 194 (A): N 121.666 121.666 119.761 1.905 RESID 194 (A): C 166.896 166.896 178.132 -11.236 RESID 194 (A): CA 55.164 55.164 52.980 2.184 RESID 194 (A): CB 16.513 16.513 19.354 -2.841 RESID 194 (A): H 8.176 8.176 7.793 0.383 RESID 195 (A): N 119.541 119.541 121.337 -1.796 RESID 195 (A): C 173.928 173.928 179.128 -5.200 RESID 195 (A): CA 57.507 57.507 54.456 3.051 RESID 195 (A): CB 19.441 19.441 17.423 2.018 RESID 195 (A): H 8.364 8.364 8.871 -0.507 RESID 196 (Q): N 107.322 107.322 119.448 -12.126 RESID 196 (Q): C 176.273 176.273 177.704 -1.431 RESID 196 (Q): CA 56.921 56.921 58.183 -1.262 RESID 196 (Q): CB 29.983 29.983 28.725 1.258 RESID 196 (Q): H 7.910 7.910 7.937 -0.027 RESID 197 (Y): N 119.277 119.277 121.938 -2.661 RESID 197 (Y): C 178.316 178.316 177.283 1.033 RESID 197 (Y): CA 56.343 56.343 60.495 -4.152 RESID 197 (Y): CB 43.453 43.453 38.430 5.023 RESID 197 (Y): H 8.180 8.180 8.151 0.029 RESID 198 (E): N 110.244 110.244 118.083 -7.839 RESID 198 (E): C 176.273 176.273 178.565 -2.292 RESID 198 (E): CA 53.407 53.407 59.430 -6.023 RESID 198 (E): CB 30.568 30.568 29.113 1.455 RESID 198 (E): H 7.523 7.523 8.138 -0.615 RESID 199 (H): N 119.211 119.211 118.454 0.757 RESID 199 (H): C 178.902 178.902 176.964 1.938 RESID 199 (H): CA 58.687 58.687 60.042 -1.355 RESID 199 (H): CB 34.957 34.957 29.647 5.310 RESID 199 (H): H 8.258 8.258 7.807 0.451 RESID 200 (D): N 124.722 124.722 119.354 5.368 RESID 200 (D): C 176.705 176.705 178.583 -1.878 RESID 200 (D): CA 58.687 58.687 57.100 1.587 RESID 200 (D): CB 39.644 39.644 40.297 -0.653 RESID 200 (D): H 8.086 8.086 7.778 0.308 RESID 201 (L): N 116.353 116.353 120.170 -3.817 RESID 201 (L): C 178.910 178.910 179.104 -0.194 RESID 201 (L): CA 61.606 61.606 58.137 3.469 RESID 201 (L): CB 41.109 41.109 41.597 -0.488 RESID 201 (L): H 7.722 7.722 7.882 -0.160 RESID 202 (E): N 118.080 118.080 118.937 -0.857 RESID 202 (E): C 176.566 176.566 179.101 -2.535 RESID 202 (E): CA 56.921 56.921 59.585 -2.664 RESID 202 (E): CB 30.568 30.568 29.651 0.917 RESID 202 (E): H 8.857 8.857 7.997 0.860 RESID 203 (V): N 129.369 129.369 117.165 12.204 RESID 203 (V): C 178.617 178.617 177.420 1.197 RESID 203 (V): CA 64.534 64.534 66.133 -1.599 RESID 203 (V): CB 27.640 27.640 30.792 -3.152 RESID 203 (V): H 9.283 9.283 7.256 2.027 RESID 204 (A): N 109.580 109.580 121.969 -12.389 RESID 204 (A): C 176.859 176.859 179.699 -2.840 RESID 204 (A): CA 54.579 54.579 54.680 -0.101 RESID 204 (A): CB 18.270 18.270 18.600 -0.330 RESID 204 (A): H 8.528 8.528 7.834 0.694 RESID 205 (Q): N 123.328 123.328 116.592 6.736 RESID 205 (Q): C 177.418 177.418 178.265 -0.847 RESID 205 (Q): CA 57.515 57.515 58.513 -0.998 RESID 205 (Q): CB 33.785 33.785 29.078 4.707 RESID 205 (Q): H 8.160 8.160 8.113 0.047 RESID 206 (T): N 120.271 120.271 113.834 6.437 RESID 206 (T): C 176.273 176.273 175.145 1.128 RESID 206 (T): CA 67.462 67.462 64.758 2.704 RESID 206 (T): CB 70.390 70.390 69.105 1.285 RESID 206 (T): H 7.585 7.585 7.753 -0.168 RESID 207 (T): N 111.970 111.970 119.496 -7.526 RESID 207 (T): C 176.566 176.566 173.444 3.122 RESID 207 (T): CA 64.534 64.534 63.614 0.920 RESID 207 (T): CB 72.733 72.733 69.254 3.479 RESID 207 (T): H 7.468 7.468 7.502 -0.034 RESID 208 (A): N 115.623 115.623 128.903 -13.280 RESID 208 (A): C 168.947 168.947 176.745 -7.798 RESID 208 (A): CA 55.164 55.164 51.612 3.552 RESID 208 (A): CB 22.369 22.369 19.791 2.578 RESID 208 (A): H 7.390 7.390 8.144 -0.754 RESID 209 (L): N 117.814 117.814 121.982 -4.168 RESID 209 (L): C 176.273 176.273 174.925 1.348 RESID 209 (L): CA 58.678 58.678 52.026 6.652 RESID 209 (L): CB 46.380 46.380 41.888 4.492 RESID 209 (L): H 7.652 7.652 8.150 -0.498 RESID 210 (P): C 176.566 176.566 175.328 1.238 RESID 210 (P): CA 63.086 63.086 62.283 0.803 RESID 210 (P): CB 31.146 31.146 32.016 -0.870 RESID 211 (D): N 122.863 122.863 124.833 -1.970 RESID 211 (D): C 175.686 175.686 175.552 0.134 RESID 211 (D): CA 56.343 56.343 53.990 2.353 RESID 211 (D): CB 41.402 41.402 41.504 -0.102 RESID 211 (D): H 8.360 8.360 8.370 -0.010 RESID 212 (E): N 131.162 131.162 126.389 4.773 RESID 212 (E): C 176.273 176.273 176.202 0.071 RESID 212 (E): CA 55.164 55.164 57.417 -2.253 RESID 212 (E): CB 30.568 30.568 31.099 -0.531 RESID 212 (E): H 8.399 8.399 8.784 -0.385 RESID 213 (D): N 122.797 122.797 116.062 6.735 RESID 213 (D): C 177.152 177.152 176.240 0.912 RESID 213 (D): CA 61.914 61.914 53.064 8.850 RESID 213 (D): CB 49.607 49.607 40.246 9.361 RESID 213 (D): H 8.168 8.168 8.208 -0.040 RESID 214 (D): N 112.369 112.369 122.060 -9.691 RESID 214 (D): C 178.910 178.910 177.001 1.909 RESID 214 (D): CA 54.579 54.579 56.753 -2.174 RESID 214 (D): CB 39.353 39.353 40.411 -1.058 RESID 214 (D): H 7.464 7.464 8.398 -0.934 RESID 215 (D): N 127.244 127.244 119.255 7.989 RESID 215 (D): C 176.859 176.859 177.330 -0.471 RESID 215 (D): CA 54.579 54.579 55.942 -1.363 RESID 215 (D): CB 40.524 40.524 41.025 -0.501 RESID 215 (D): H 8.301 8.301 8.382 -0.081 N HA C CA CB H RESID 3 (A): 4.100 ----- -2.560 -4.481 0.331 0.683 RESID 4 (Q): 1.055 ----- -0.952 -1.763 -2.062 0.863 RESID 5 (G): 14.566 ----- 8.130 0.848 ----- -0.095 RESID 6 (E): 8.597 ----- 2.128 3.411 -1.024 1.336 RESID 7 (P): ----- ----- 0.404 0.992 0.340 ----- RESID 8 (Q): -1.887 ----- 2.755 -8.095 1.899 -2.446 RESID 9 (V): -5.158 ----- 3.945 1.175 2.131 -1.219 RESID 10 (Q): -11.648 ----- 2.177 1.385 -4.416 -0.283 RESID 11 (F): -5.485 ----- 1.919 3.620 -1.755 -0.721 RESID 12 (K): 3.753 ----- 3.716 1.956 ----- 1.065 RESID 13 (L): -17.355 ----- 3.092 1.245 -3.508 -2.197 RESID 14 (V): 1.078 ----- 0.883 9.332 -4.749 -0.410 RESID 15 (L): -1.507 ----- 1.689 1.637 ----- -1.197 RESID 16 (V): 2.462 ----- 3.925 4.758 0.550 0.100 RESID 17 (G): 20.842 ----- 1.595 -2.272 ----- 2.867 RESID 18 (D): 3.665 ----- -0.677 2.963 4.066 -0.068 RESID 19 (G): 13.874 ----- 3.344 -3.663 ----- 0.191 RESID 20 (G): 17.253 ----- -1.764 -3.989 ----- -0.110 RESID 21 (T): 8.148 ----- -3.844 -2.685 -4.110 0.410 RESID 22 (G): 4.169 ----- 9.345 0.159 ----- -1.524 RESID 23 (K): 1.475 ----- 0.361 -1.763 7.821 -0.145 RESID 24 (T): 0.564 ----- 1.507 -4.923 3.416 -0.035 RESID 25 (T): -8.764 ----- 2.252 -2.938 3.164 0.247 RESID 26 (F): -8.184 ----- -2.443 -8.536 1.336 -0.724 RESID 27 (V): 3.722 ----- 0.429 0.212 -2.076 -1.267 RESID 28 (K): -5.597 ----- -1.686 -1.639 1.894 -0.754 RESID 29 (R): -7.256 ----- -4.834 13.178 8.033 -1.033 RESID 30 (H): 5.165 ----- -4.944 -7.621 0.703 0.013 RESID 31 (L): -9.095 ----- -0.645 -2.436 0.117 -0.241 RESID 32 (T): 15.318 ----- -4.884 1.856 4.952 0.178 RESID 33 (G): 17.080 ----- -12.230 -1.961 ----- 1.894 RESID 34 (E): 0.626 ----- -0.674 1.804 3.624 0.795 RESID 35 (F): -7.402 ----- -0.807 -7.602 1.132 -1.825 RESID 36 (E): -4.279 ----- -0.075 3.931 17.663 -0.384 RESID 37 (K): -6.107 ----- -3.191 -8.447 3.934 0.058 RESID 38 (K): -12.162 ----- 0.776 4.261 1.572 0.040 RESID 39 (Y): -15.631 ----- -0.081 2.829 -2.448 -1.333 RESID 40 (V): -6.642 ----- -0.266 -0.524 -2.523 -0.119 RESID 42 (T): -0.057 ----- 5.138 -2.242 0.679 -0.170 RESID 43 (L): -8.618 ----- -2.792 2.888 0.103 0.737 RESID 44 (G): 1.016 ----- 6.194 8.568 ----- -1.695 RESID 45 (V): -13.236 ----- 0.582 3.126 -17.985 0.129 RESID 46 (E): 0.997 ----- 2.461 0.602 -0.548 0.875 RESID 47 (V): -1.243 ----- -0.051 2.215 5.203 -0.057 RESID 48 (H): 1.841 ----- -3.876 -3.554 -4.408 1.266 RESID 49 (P): ----- ----- 0.621 0.013 -2.359 ----- RESID 50 (L): -8.102 ----- 2.898 4.748 -3.152 -1.566 RESID 51 (V): -8.764 ----- -0.970 3.401 3.594 -0.410 RESID 52 (F): -0.350 ----- 0.756 -0.168 -3.639 -0.189 RESID 53 (H): -1.644 ----- -5.172 -0.790 -0.764 -0.962 RESID 54 (T): -3.497 ----- 2.646 3.956 1.116 -0.731 RESID 55 (N): 10.993 ----- -0.255 -4.760 -1.428 1.593 RESID 56 (R): 3.732 ----- -0.928 5.854 2.514 -0.314 RESID 57 (G): 18.911 ----- 4.043 -1.955 ----- 1.650 RESID 58 (P): ----- ----- 1.012 2.244 -2.858 ----- RESID 59 (I): 13.492 ----- 2.078 5.943 -1.571 -0.035 RESID 60 (K): 3.539 ----- 4.117 19.904 -4.212 -0.512 RESID 61 (F): -3.864 ----- 0.366 0.497 -0.057 -1.999 RESID 62 (N): 0.891 ----- -1.197 0.906 2.571 -1.073 RESID 63 (V): -21.088 ----- -0.300 -2.136 -1.526 -0.765 RESID 64 (W): -0.714 ----- 2.086 3.355 -0.467 -0.636 RESID 65 (D): -6.365 ----- -1.222 1.945 -1.852 -0.306 RESID 66 (T): 4.231 ----- 4.352 8.383 0.492 -0.058 RESID 67 (A): -17.799 ----- -0.333 -2.699 -6.012 0.641 RESID 68 (G): 5.409 ----- 13.568 -0.780 ----- 2.025 RESID 69 (Q): 2.713 ----- -1.902 0.931 2.661 -0.141 RESID 70 (E): -5.452 ----- 0.621 1.069 -1.521 1.342 RESID 71 (K): -6.257 ----- -0.413 -7.362 4.100 0.422 RESID 72 (F): -5.158 ----- -0.877 -2.490 -2.506 -0.051 RESID 73 (G): 5.891 ----- -6.732 -2.546 ----- -0.212 RESID 74 (G): 12.291 ----- -1.908 -2.526 ----- 0.556 RESID 75 (L): 6.289 ----- 0.295 -3.630 0.673 -0.136 RESID 76 (R): 0.097 ----- 0.031 2.825 1.329 -0.338 RESID 77 (D): 8.362 ----- -0.743 -4.654 1.304 1.409 RESID 78 (G): 19.843 ----- -2.308 -2.443 ----- -0.251 RESID 79 (Y): 1.841 ----- -0.809 -0.748 2.546 1.232 RESID 80 (Y): 4.753 ----- 0.093 3.232 1.865 0.782 RESID 81 (I): -0.232 ----- 1.419 3.957 3.122 0.532 RESID 82 (Q): 2.472 ----- -1.211 3.348 4.641 -0.826 RESID 83 (A): -10.321 ----- -0.557 1.835 -2.510 -1.091 RESID 84 (Q): 0.461 ----- 1.426 3.432 3.764 -0.611 RESID 85 (C): 8.873 ----- 3.797 9.050 7.902 0.772 RESID 86 (A): -7.056 ----- ----- 6.417 -1.164 -1.879 RESID 87 (I): 0.317 ----- -0.669 1.022 -1.660 -0.370 RESID 88 (I): -7.063 ----- -1.236 4.375 -2.433 -3.426 RESID 89 (M): -5.712 ----- 3.606 4.669 -0.150 -0.542 RESID 90 (F): 2.516 ----- 2.413 5.087 -3.315 0.658 RESID 91 (D): -0.319 ----- -0.358 7.524 1.211 -1.324 RESID 92 (V): -8.242 ----- -3.185 -0.378 6.269 -0.770 RESID 93 (T): 16.895 ----- 4.190 1.344 5.049 -0.547 RESID 94 (S): 5.794 ----- -10.893 4.301 -1.983 -0.311 RESID 95 (R): -15.463 ----- -1.847 -6.198 1.050 -0.971 RESID 96 (V): 5.516 ----- 0.285 2.218 -7.231 1.008 RESID 97 (T): -4.249 ----- 2.005 -2.437 1.385 0.333 RESID 98 (Y): -7.951 ----- -1.220 ----- ----- -0.158 RESID 99 (K): 5.057 ----- -0.145 -0.713 4.111 0.297 RESID 100 (N): -4.179 ----- -0.802 -1.702 -1.138 -2.001 RESID 101 (V): -2.781 ----- -1.344 -5.702 -2.201 -0.249 RESID 102 (P): ----- ----- -0.596 -2.815 -0.216 ----- RESID 103 (N): 7.964 ----- -1.745 0.115 1.196 0.463 RESID 104 (W): 2.598 ----- -3.288 -1.312 5.218 0.280 RESID 105 (H): 3.930 ----- 3.438 ----- ----- -1.467 RESID 106 (R): 3.062 ----- 0.126 5.092 -1.638 -0.380 RESID 107 (D): -2.563 ----- -1.876 -2.556 0.654 1.167 RESID 108 (L): -6.001 ----- -2.225 0.889 7.278 -1.162 RESID 109 (V): 7.308 ----- -2.708 -0.700 1.922 1.131 RESID 110 (R): -7.538 ----- -1.230 -1.695 0.138 -0.584 RESID 111 (V): 1.928 ----- 0.591 -4.152 -0.172 -0.159 RESID 112 (C): -2.711 ----- -5.044 -1.845 6.610 -0.859 RESID 113 (E): -1.251 ----- 0.740 10.863 2.322 -0.793 RESID 114 (N): 7.343 ----- 0.346 -0.793 1.826 0.678 RESID 115 (I): -10.706 ----- 1.920 7.678 -0.488 1.481 RESID 116 (P): ----- ----- 0.434 -0.194 -2.515 ----- RESID 117 (I): -0.824 ----- -0.106 5.926 -3.506 -0.715 RESID 118 (V): -6.875 ----- 3.581 1.889 -2.925 0.116 RESID 119 (L): -7.465 ----- 1.963 -10.941 -5.063 -1.521 RESID 120 (C): -8.953 ----- 3.832 ----- ----- -0.825 RESID 121 (G): 4.373 ----- 3.700 -2.479 ----- -1.460 RESID 122 (N): -0.344 ----- 0.111 -2.311 -1.164 0.653 RESID 123 (K): 8.078 ----- -4.234 0.731 5.397 -0.893 RESID 124 (V): 10.819 ----- -0.210 0.835 11.111 0.968 RESID 125 (D): 0.283 ----- -0.352 -0.399 -0.598 -0.211 RESID 126 (I): -4.400 ----- 0.727 4.528 0.941 -0.019 RESID 127 (K): -5.841 ----- -1.171 -0.612 3.190 -0.364 RESID 128 (D): -1.297 ----- 1.352 0.368 0.818 -1.020 RESID 129 (R): -4.060 ----- 1.092 -10.684 0.360 0.641 RESID 130 (K): -12.668 ----- -0.276 -2.215 2.711 -0.993 RESID 131 (V): -10.857 ----- 3.602 3.813 4.378 1.342 RESID 132 (K): -17.718 ----- -1.257 4.080 1.681 1.500 RESID 133 (A): 7.100 ----- ----- -3.742 -5.607 -2.425 RESID 134 (K): 0.418 ----- -0.528 -2.579 22.160 -1.691 RESID 135 (S): -3.416 ----- -1.417 -3.380 0.711 0.344 RESID 136 (I): 2.140 ----- -0.956 5.845 5.519 0.812 RESID 137 (V): -8.826 ----- 0.673 3.000 1.072 -0.368 RESID 138 (F): -5.011 ----- -0.874 -4.460 0.120 0.692 RESID 139 (H): 5.092 ----- -1.010 8.551 6.981 -0.812 RESID 140 (R): 0.068 ----- -1.112 -0.753 9.866 1.163 RESID 141 (K): -4.018 ----- -4.374 -0.704 1.243 0.069 RESID 142 (K): -1.091 ----- 0.265 -3.873 2.660 1.393 RESID 143 (N): -3.433 ----- 0.903 -0.673 3.620 -0.362 RESID 144 (L): 1.699 ----- ----- 0.505 -1.209 -0.235 RESID 145 (Q): 1.471 ----- 2.581 1.486 -0.949 -1.167 RESID 146 (Y): -5.029 ----- 0.489 6.750 0.309 1.222 RESID 147 (Y): -1.588 ----- 3.996 1.814 -2.160 -0.286 RESID 148 (D): -2.368 ----- 1.588 0.117 -0.654 0.578 RESID 149 (I): 1.140 ----- 0.626 1.852 -3.335 -0.000 RESID 150 (S): 1.238 ----- 1.229 4.745 -3.086 -0.123 RESID 151 (A): -0.224 ----- -17.995 -0.878 3.399 1.635 RESID 152 (K): 5.030 ----- -3.374 1.037 1.857 0.768 RESID 153 (S): 25.112 ----- 2.993 4.102 1.573 1.143 RESID 154 (N): 5.105 ----- 1.780 -4.925 2.494 -0.982 RESID 155 (Y): -3.118 ----- 1.871 0.629 3.174 0.436 RESID 156 (N): 1.466 ----- -0.681 -1.492 2.455 -0.343 RESID 157 (F): 6.451 ----- -2.470 -3.466 1.214 -1.040 RESID 158 (E): -4.777 ----- -1.230 15.568 -0.875 -0.380 RESID 159 (K): -7.057 ----- 0.910 -7.524 3.429 -0.464 RESID 160 (P): ----- ----- -2.300 -1.445 1.166 ----- RESID 161 (F): 7.710 ----- -0.707 -1.493 2.996 0.887 RESID 162 (L): -9.043 ----- -2.455 -2.171 2.551 -0.441 RESID 163 (W): 2.137 ----- -0.771 0.724 -0.969 -0.895 RESID 164 (L): 0.907 ----- -3.111 3.383 4.464 1.434 RESID 165 (A): -3.531 ----- -13.521 -2.957 3.467 -0.577 RESID 166 (R): 4.625 ----- -2.760 -9.946 -0.669 0.648 RESID 167 (K): -7.584 ----- -3.011 -0.877 2.676 -0.530 RESID 168 (L): -4.730 ----- -1.287 -0.648 -0.188 -0.496 RESID 169 (I): 5.997 ----- 0.303 -0.074 3.607 0.247 RESID 170 (G): 6.759 ----- -11.332 -0.881 ----- -1.337 RESID 171 (D): -8.293 ----- 2.838 -0.019 -1.036 -0.739 RESID 172 (P): ----- ----- -0.600 -0.378 -0.452 ----- RESID 173 (N): -5.203 ----- 0.929 1.976 -3.139 -0.342 RESID 174 (L): -13.781 ----- 1.422 0.387 1.199 0.595 RESID 175 (E): 0.750 ----- 2.520 22.175 -5.118 0.809 RESID 176 (F): 13.580 ----- 2.799 0.783 4.783 1.443 RESID 177 (V): -3.254 ----- 2.781 3.209 0.355 -0.327 RESID 178 (A): -4.669 ----- -0.315 0.100 -3.320 -0.316 RESID 179 (M): 6.035 ----- 3.900 5.722 6.595 -0.200 RESID 180 (P): ----- ----- 1.738 2.055 -2.058 ----- RESID 181 (A): 2.226 ----- -1.788 5.864 1.758 0.553 RESID 182 (L): -0.251 ----- -0.104 0.794 0.512 0.649 RESID 183 (A): -6.240 ----- 2.538 6.904 5.791 -0.001 RESID 184 (P): ----- ----- 2.262 2.574 -1.899 ----- RESID 185 (P): ----- ----- -1.081 0.580 2.925 ----- RESID 186 (E): -3.133 ----- -0.024 0.875 6.189 -0.422 RESID 187 (V): 9.187 ----- 3.816 0.587 3.172 1.015 RESID 188 (V): 5.467 ----- 1.125 5.277 -0.751 0.522 RESID 189 (M): 3.470 ----- 1.624 -0.725 2.063 -0.577 RESID 190 (D): -4.919 ----- -0.133 -4.807 1.370 -1.346 RESID 191 (P): ----- ----- -1.525 -1.177 -0.202 ----- RESID 192 (A): -11.073 ----- ----- -0.240 1.138 -0.475 RESID 193 (L): 0.902 ----- -1.313 0.906 1.090 0.581 RESID 194 (A): 1.905 ----- -11.236 2.184 -2.841 0.383 RESID 195 (A): -1.796 ----- -5.200 3.051 2.018 -0.507 RESID 196 (Q): -12.126 ----- -1.431 -1.262 1.258 -0.027 RESID 197 (Y): -2.661 ----- 1.033 -4.152 5.023 0.029 RESID 198 (E): -7.839 ----- -2.292 -6.023 1.455 -0.615 RESID 199 (H): 0.757 ----- 1.938 -1.355 5.310 0.451 RESID 200 (D): 5.368 ----- -1.878 1.587 -0.653 0.308 RESID 201 (L): -3.817 ----- -0.194 3.469 -0.488 -0.160 RESID 202 (E): -0.857 ----- -2.535 -2.664 0.917 0.860 RESID 203 (V): 12.204 ----- 1.197 -1.599 -3.152 2.027 RESID 204 (A): -12.389 ----- -2.840 -0.101 -0.330 0.694 RESID 205 (Q): 6.736 ----- -0.847 -0.998 4.707 0.047 RESID 206 (T): 6.437 ----- 1.128 2.704 1.285 -0.168 RESID 207 (T): -7.526 ----- 3.122 0.920 3.479 -0.034 RESID 208 (A): -13.280 ----- -7.798 3.552 2.578 -0.754 RESID 209 (L): -4.168 ----- 1.348 6.652 4.492 -0.498 RESID 210 (P): ----- ----- 1.238 0.803 -0.870 ----- RESID 211 (D): -1.970 ----- 0.134 2.353 -0.102 -0.010 RESID 212 (E): 4.773 ----- 0.071 -2.253 -0.531 -0.385 RESID 213 (D): 6.735 ----- 0.912 8.850 9.361 -0.040 RESID 214 (D): -9.691 ----- 1.909 -2.174 -1.058 -0.934 RESID 215 (D): 7.989 ----- -0.471 -1.363 -0.501 -0.081 DATA CS_STAT_INFO N RMS: 7.771 ppm Count: 201 Average Difference: 0.356 +/- 7.782 ppm DATA CS_STAT_INFO HA RMS: 0.447 ppm Count: 28 Average Difference: -0.339 +/- 0.298 ppm DATA CS_STAT_INFO C RMS: 3.462 ppm Count: 209 Average Difference: 0.109 +/- 3.468 ppm DATA CS_STAT_INFO CA RMS: 4.574 ppm Count: 210 Average Difference: -0.643 +/- 4.540 ppm DATA CS_STAT_INFO CB RMS: 4.063 ppm Count: 194 Average Difference: -1.017 +/- 3.943 ppm DATA CS_STAT_INFO HN RMS: 0.957 ppm Count: 201 Average Difference: 0.084 +/- 0.955 ppm ############################################################################ For conformer 5: Atom Original Corrected SPARTA Difference RESID 2 (A): N 131.228 131.228 122.363 8.865 RESID 2 (A): C 187.031 187.031 179.116 7.915 RESID 2 (A): CA 53.407 53.407 55.306 -1.899 RESID 2 (A): CB 20.027 20.027 18.229 1.798 RESID 2 (A): H 10.644 10.644 8.316 2.328 RESID 3 (A): N 124.521 124.521 120.321 4.200 RESID 3 (A): C 176.566 176.566 179.363 -2.797 RESID 3 (A): CA 49.894 49.894 54.344 -4.450 RESID 3 (A): CB 18.270 18.270 18.015 0.255 RESID 3 (A): H 8.669 8.669 8.149 0.520 RESID 4 (Q): N 118.080 118.080 117.052 1.028 RESID 4 (Q): C 176.273 176.273 176.834 -0.561 RESID 4 (Q): CA 54.579 54.579 56.309 -1.730 RESID 4 (Q): CB 27.054 27.054 29.249 -2.195 RESID 4 (Q): H 8.919 8.919 7.906 1.013 RESID 5 (G): N 121.002 121.002 106.830 14.172 RESID 5 (G): C 181.877 181.877 173.579 8.298 RESID 5 (G): CA 45.794 45.794 44.892 0.902 RESID 5 (G): H 8.082 8.082 7.945 0.137 RESID 6 (E): N 129.435 129.435 121.775 7.660 RESID 6 (E): C 176.566 176.566 174.891 1.675 RESID 6 (E): CA 56.336 56.336 52.556 3.780 RESID 6 (E): CB 28.811 28.811 30.539 -1.728 RESID 6 (E): H 9.267 9.267 7.971 1.296 RESID 7 (P): C 176.566 176.566 176.525 0.041 RESID 7 (P): CA 63.672 63.672 62.976 0.696 RESID 7 (P): CB 31.146 31.146 31.173 -0.027 RESID 8 (Q): N 112.502 112.502 115.261 -2.759 RESID 8 (Q): C 177.445 177.445 174.852 2.593 RESID 8 (Q): CA 50.479 50.479 58.572 -8.094 RESID 8 (Q): CB 28.811 28.811 27.078 1.733 RESID 8 (Q): H 6.220 6.220 8.570 -2.350 RESID 9 (V): N 117.416 117.416 122.080 -4.664 RESID 9 (V): C 178.324 178.324 174.080 4.244 RESID 9 (V): CA 63.363 63.363 61.488 1.875 RESID 9 (V): CB 34.668 34.668 32.903 1.765 RESID 9 (V): H 6.561 6.561 7.765 -1.204 RESID 10 (Q): N 113.896 113.896 124.946 -11.050 RESID 10 (Q): C 176.273 176.273 174.267 2.006 RESID 10 (Q): CA 55.164 55.164 54.051 1.113 RESID 10 (Q): CB 28.226 28.226 32.463 -4.237 RESID 10 (Q): H 7.847 7.847 8.211 -0.364 RESID 11 (F): N 118.744 118.744 124.580 -5.836 RESID 11 (F): C 176.566 176.566 174.990 1.576 RESID 11 (F): CA 59.849 59.849 56.669 3.180 RESID 11 (F): CB 41.109 41.109 42.264 -1.155 RESID 11 (F): H 8.262 8.262 9.139 -0.877 RESID 12 (K): N 129.437 129.437 124.546 4.891 RESID 12 (K): C 178.609 178.609 175.585 3.024 RESID 12 (K): CA 57.808 57.808 56.241 1.567 RESID 12 (K): H 10.015 10.015 8.901 1.114 RESID 13 (L): N 112.103 112.103 126.413 -14.310 RESID 13 (L): C 177.738 177.738 175.626 2.112 RESID 13 (L): CA 54.579 54.579 53.510 1.069 RESID 13 (L): CB 42.866 42.866 44.303 -1.437 RESID 13 (L): H 6.905 6.905 9.140 -2.235 RESID 14 (V): N 127.310 127.310 122.919 4.391 RESID 14 (V): C 175.393 175.393 174.357 1.036 RESID 14 (V): CA 70.976 70.976 61.569 9.407 RESID 14 (V): CB 28.811 28.811 33.121 -4.310 RESID 14 (V): H 8.305 8.305 8.616 -0.311 RESID 15 (L): N 128.640 128.640 130.746 -2.106 RESID 15 (L): C 177.730 177.730 175.178 2.552 RESID 15 (L): CA 55.758 55.758 53.347 2.410 RESID 15 (L): H 7.718 7.718 8.858 -1.140 RESID 16 (V): N 121.267 121.267 121.710 -0.443 RESID 16 (V): C 178.324 178.324 174.480 3.844 RESID 16 (V): CA 63.363 63.363 58.630 4.733 RESID 16 (V): CB 35.839 35.839 35.263 0.576 RESID 16 (V): H 8.935 8.935 8.957 -0.022 RESID 17 (G): N 127.908 127.908 107.041 20.867 RESID 17 (G): C 174.514 174.514 173.121 1.393 RESID 17 (G): CA 42.281 42.281 44.532 -2.252 RESID 17 (G): H 9.682 9.682 6.780 2.902 RESID 18 (D): N 125.054 125.054 121.309 3.745 RESID 18 (D): C 176.851 176.851 177.562 -0.711 RESID 18 (D): CA 57.515 57.515 54.619 2.896 RESID 18 (D): CB 46.090 46.090 41.989 4.101 RESID 18 (D): H 8.282 8.282 8.370 -0.088 RESID 19 (G): N 120.670 120.670 107.543 13.127 RESID 19 (G): C 178.324 178.324 174.976 3.348 RESID 19 (G): CA 42.281 42.281 45.434 -3.153 RESID 19 (G): H 8.825 8.825 8.651 0.174 RESID 20 (G): N 129.369 129.369 111.707 17.662 RESID 20 (G): C 174.221 174.221 175.851 -1.630 RESID 20 (G): CA 41.695 41.695 45.407 -3.712 RESID 20 (G): H 8.477 8.477 8.648 -0.171 RESID 21 (T): N 122.199 122.199 113.953 8.246 RESID 21 (T): C 171.291 171.291 175.110 -3.819 RESID 21 (T): CA 61.914 61.914 64.573 -2.659 RESID 21 (T): CB 65.137 65.137 69.274 -4.137 RESID 21 (T): H 8.059 8.059 7.648 0.411 RESID 22 (G): N 112.369 112.369 108.253 4.116 RESID 22 (G): C 184.807 184.807 175.442 9.365 RESID 22 (G): CA 45.209 45.209 45.071 0.138 RESID 22 (G): H 6.772 6.772 8.315 -1.543 RESID 23 (K): N 122.066 122.066 120.632 1.434 RESID 23 (K): C 178.589 178.589 178.135 0.454 RESID 23 (K): CA 58.101 58.101 59.989 -1.888 RESID 23 (K): CB 40.230 40.230 32.425 7.805 RESID 23 (K): H 7.441 7.441 7.631 -0.190 RESID 24 (T): N 114.627 114.627 113.871 0.756 RESID 24 (T): C 178.324 178.324 176.785 1.539 RESID 24 (T): CA 62.192 62.192 67.105 -4.913 RESID 24 (T): CB 71.562 71.562 68.127 3.435 RESID 24 (T): H 8.469 8.469 8.494 -0.025 RESID 25 (T): N 110.377 110.377 119.473 -9.096 RESID 25 (T): C 178.324 178.324 176.123 2.201 RESID 25 (T): CA 64.534 64.534 67.296 -2.762 RESID 25 (T): CB 71.562 71.562 68.424 3.138 RESID 25 (T): H 8.415 8.415 8.157 0.258 RESID 26 (F): N 114.295 114.295 123.035 -8.740 RESID 26 (F): C 174.514 174.514 176.833 -2.319 RESID 26 (F): CA 53.407 53.407 61.794 -8.387 RESID 26 (F): CB 40.524 40.524 38.886 1.638 RESID 26 (F): H 7.707 7.707 8.458 -0.751 RESID 27 (V): N 123.525 123.525 119.866 3.659 RESID 27 (V): C 178.031 178.031 177.609 0.422 RESID 27 (V): CA 67.462 67.462 66.984 0.478 RESID 27 (V): CB 29.397 29.397 31.428 -2.031 RESID 27 (V): H 6.967 6.967 8.133 -1.166 RESID 28 (K): N 114.228 114.228 120.146 -5.918 RESID 28 (K): C 176.566 176.566 178.132 -1.566 RESID 28 (K): CA 58.092 58.092 59.917 -1.825 RESID 28 (K): CB 34.082 34.082 32.333 1.750 RESID 28 (K): H 7.429 7.429 8.246 -0.817 RESID 29 (R): N 112.037 112.037 119.489 -7.452 RESID 29 (R): C 174.221 174.221 179.050 -4.829 RESID 29 (R): CA 72.147 72.147 58.019 14.128 RESID 29 (R): CB 37.596 37.596 28.823 8.774 RESID 29 (R): H 6.803 6.803 7.808 -1.005 RESID 30 (H): N 122.396 122.396 117.457 4.939 RESID 30 (H): C 172.170 172.170 176.788 -4.618 RESID 30 (H): CA 51.651 51.651 59.490 -7.839 RESID 30 (H): CB 30.568 30.568 29.624 0.944 RESID 30 (H): H 7.644 7.644 7.411 0.233 RESID 31 (L): N 110.377 110.377 117.020 -6.643 RESID 31 (L): C 178.031 178.031 178.469 -0.438 RESID 31 (L): CA 55.164 55.164 57.233 -2.069 RESID 31 (L): CB 42.281 42.281 42.243 0.038 RESID 31 (L): H 7.894 7.894 8.005 -0.111 RESID 32 (T): N 121.468 121.468 106.463 15.005 RESID 32 (T): C 170.705 170.705 175.528 -4.823 RESID 32 (T): CA 63.668 63.668 61.780 1.888 RESID 32 (T): CB 75.679 75.679 71.178 4.501 RESID 32 (T): H 8.372 8.372 8.188 0.184 RESID 33 (G): N 127.841 127.841 109.972 17.869 RESID 33 (G): C 161.914 161.914 173.996 -12.082 RESID 33 (G): CA 42.866 42.866 45.062 -2.196 RESID 33 (G): H 9.662 9.662 7.736 1.926 RESID 34 (E): N 120.871 120.871 120.297 0.574 RESID 34 (E): C 174.508 174.508 174.853 -0.345 RESID 34 (E): CA 58.101 58.101 55.782 2.320 RESID 34 (E): CB 34.371 34.371 30.524 3.847 RESID 34 (E): H 8.211 8.211 7.488 0.723 RESID 35 (F): N 111.838 111.838 119.046 -7.208 RESID 35 (F): C 174.221 174.221 175.245 -1.024 RESID 35 (F): CA 49.308 49.308 56.937 -7.629 RESID 35 (F): CB 41.695 41.695 40.240 1.455 RESID 35 (F): H 6.772 6.772 8.580 -1.808 RESID 36 (E): N 120.672 120.672 125.805 -5.133 RESID 36 (E): C 175.686 175.686 176.025 -0.339 RESID 36 (E): CA 58.980 58.980 55.660 3.320 RESID 36 (E): CB 48.140 48.140 30.308 17.832 RESID 36 (E): H 8.293 8.293 8.702 -0.409 RESID 37 (K): N 118.810 118.810 124.228 -5.418 RESID 37 (K): C 172.756 172.756 176.326 -3.570 RESID 37 (K): CA 48.137 48.137 56.406 -8.269 RESID 37 (K): CB 37.010 37.010 33.148 3.861 RESID 37 (K): H 8.509 8.509 8.472 0.037 RESID 38 (K): N 108.052 108.052 120.713 -12.661 RESID 38 (K): C 176.273 176.273 175.090 1.183 RESID 38 (K): CA 59.849 59.849 55.483 4.366 RESID 38 (K): CB 34.668 34.668 33.258 1.410 RESID 38 (K): H 7.715 7.715 7.465 0.250 RESID 39 (Y): N 108.650 108.650 124.302 -15.652 RESID 39 (Y): C 175.686 175.686 175.633 0.053 RESID 39 (Y): CA 61.020 61.020 58.330 2.690 RESID 39 (Y): CB 36.424 36.424 39.255 -2.831 RESID 39 (Y): H 7.362 7.362 8.709 -1.347 RESID 40 (V): N 117.947 117.947 126.963 -9.016 RESID 40 (V): C 175.393 175.393 175.238 0.155 RESID 40 (V): CA 61.020 61.020 61.224 -0.204 RESID 40 (V): CB 31.154 31.154 34.019 -2.865 RESID 40 (V): H 8.442 8.442 8.447 -0.005 RESID 42 (T): N 117.150 117.150 117.249 -0.099 RESID 42 (T): C 178.910 178.910 173.964 4.946 RESID 42 (T): CA 60.435 60.435 62.569 -2.134 RESID 42 (T): CB 70.390 70.390 69.855 0.535 RESID 42 (T): H 8.192 8.192 8.363 -0.171 RESID 43 (L): N 119.209 119.209 127.025 -7.816 RESID 43 (L): C 174.807 174.807 177.659 -2.852 RESID 43 (L): CA 57.507 57.507 54.796 2.711 RESID 43 (L): CB 42.866 42.866 42.743 0.123 RESID 43 (L): H 9.260 9.260 8.506 0.754 RESID 44 (G): N 114.361 114.361 114.303 0.058 RESID 44 (G): C 178.910 178.910 172.809 6.101 RESID 44 (G): CA 54.579 54.579 45.945 8.634 RESID 44 (G): H 6.979 6.979 8.660 -1.681 RESID 45 (V): N 110.244 110.244 123.375 -13.131 RESID 45 (V): C 174.807 174.807 174.220 0.587 RESID 45 (V): CA 63.363 63.363 60.181 3.182 RESID 45 (V): CB 17.099 17.099 35.137 -18.038 RESID 45 (V): H 8.309 8.309 8.192 0.117 RESID 46 (E): N 130.365 130.365 129.315 1.050 RESID 46 (E): C 176.859 176.859 174.388 2.471 RESID 46 (E): CA 55.164 55.164 54.639 0.525 RESID 46 (E): CB 32.325 32.325 32.944 -0.619 RESID 46 (E): H 9.741 9.741 8.808 0.933 RESID 47 (V): N 125.254 125.254 126.464 -1.210 RESID 47 (V): C 175.661 175.661 175.827 -0.166 RESID 47 (V): CA 63.375 63.375 61.100 2.275 RESID 47 (V): CB 37.300 37.300 32.365 4.934 RESID 47 (V): H 8.250 8.250 8.337 -0.087 RESID 48 (H): N 129.236 129.236 127.209 2.027 RESID 48 (H): C 169.240 169.240 172.963 -3.723 RESID 48 (H): CA 49.894 49.894 53.271 -3.377 RESID 48 (H): CB 27.640 27.640 32.938 -5.298 RESID 48 (H): H 10.390 10.390 9.254 1.136 RESID 49 (P): C 176.273 176.273 175.625 0.648 RESID 49 (P): CA 62.500 62.500 62.511 -0.011 RESID 49 (P): CB 29.974 29.974 32.278 -2.304 RESID 50 (L): N 119.408 119.408 127.479 -8.071 RESID 50 (L): C 177.445 177.445 174.522 2.923 RESID 50 (L): CA 59.264 59.264 54.599 4.665 RESID 50 (L): CB 42.281 42.281 45.776 -3.495 RESID 50 (L): H 7.492 7.492 9.079 -1.587 RESID 51 (V): N 117.947 117.947 125.914 -7.967 RESID 51 (V): C 174.514 174.514 175.193 -0.679 RESID 51 (V): CA 64.534 64.534 61.401 3.133 RESID 51 (V): CB 37.010 37.010 33.889 3.121 RESID 51 (V): H 7.715 7.715 8.115 -0.400 RESID 52 (F): N 124.853 124.853 125.086 -0.233 RESID 52 (F): C 175.100 175.100 174.673 0.427 RESID 52 (F): CA 56.336 56.336 56.397 -0.061 RESID 52 (F): CB 39.938 39.938 43.706 -3.768 RESID 52 (F): H 8.935 8.935 9.153 -0.218 RESID 53 (H): N 120.603 120.603 121.341 -0.738 RESID 53 (H): C 170.119 170.119 175.400 -5.281 RESID 53 (H): CA 55.164 55.164 56.104 -0.940 RESID 53 (H): CB 30.568 30.568 31.052 -0.484 RESID 53 (H): H 8.356 8.356 9.373 -1.017 RESID 54 (T): N 112.634 112.634 116.222 -3.588 RESID 54 (T): C 178.910 178.910 176.304 2.606 RESID 54 (T): CA 63.363 63.363 59.056 4.307 RESID 54 (T): CB 72.733 72.733 71.597 1.135 RESID 54 (T): H 7.574 7.574 8.412 -0.838 RESID 55 (N): N 131.095 131.095 120.173 10.922 RESID 55 (N): C 176.273 176.273 176.453 -0.180 RESID 55 (N): CA 51.065 51.065 55.774 -4.709 RESID 55 (N): CB 37.010 37.010 38.282 -1.272 RESID 55 (N): H 10.187 10.187 8.628 1.559 RESID 56 (R): N 122.064 122.064 118.143 3.921 RESID 56 (R): C 175.100 175.100 176.324 -1.224 RESID 56 (R): CA 61.606 61.606 55.216 6.390 RESID 56 (R): CB 32.911 32.911 29.885 3.026 RESID 56 (R): H 7.433 7.433 7.756 -0.323 RESID 57 (G): N 127.709 127.709 108.639 19.070 RESID 57 (G): C 175.979 175.979 172.230 3.749 RESID 57 (G): CA 42.281 42.281 44.267 -1.986 RESID 57 (G): H 9.373 9.373 7.692 1.681 RESID 58 (P): C 177.152 177.152 176.033 1.119 RESID 58 (P): CA 65.137 65.137 62.887 2.250 RESID 58 (P): CB 29.095 29.095 31.802 -2.707 RESID 59 (I): N 128.638 128.638 114.842 13.796 RESID 59 (I): C 175.979 175.979 173.802 2.177 RESID 59 (I): CA 65.120 65.120 59.201 5.919 RESID 59 (I): CB 40.524 40.524 41.878 -1.354 RESID 59 (I): H 8.794 8.794 8.791 0.003 RESID 60 (K): N 127.711 127.711 124.932 2.779 RESID 60 (K): C 178.902 178.902 174.794 4.108 RESID 60 (K): CA 74.293 74.293 54.362 19.931 RESID 60 (K): CB 32.027 32.027 35.806 -3.779 RESID 60 (K): H 8.024 8.024 8.524 -0.500 RESID 61 (F): N 120.670 120.670 125.032 -4.362 RESID 61 (F): C 175.393 175.393 174.987 0.406 RESID 61 (F): CA 57.507 57.507 56.697 0.810 RESID 61 (F): CB 41.109 41.109 41.009 0.100 RESID 61 (F): H 7.515 7.515 9.526 -2.011 RESID 62 (N): N 124.789 124.789 123.971 0.818 RESID 62 (N): C 173.336 173.336 174.265 -0.929 RESID 62 (N): CA 53.121 53.121 52.879 0.242 RESID 62 (N): CB 41.695 41.695 39.690 2.005 RESID 62 (N): H 8.325 8.325 9.281 -0.956 RESID 63 (V): N 106.127 106.127 127.106 -20.979 RESID 63 (V): C 175.100 175.100 175.300 -0.200 RESID 63 (V): CA 61.020 61.020 62.808 -1.788 RESID 63 (V): CB 31.154 31.154 32.460 -1.306 RESID 63 (V): H 8.113 8.113 9.018 -0.905 RESID 64 (W): N 129.302 129.302 129.801 -0.499 RESID 64 (W): C 177.152 177.152 175.002 2.150 RESID 64 (W): CA 59.264 59.264 55.917 3.347 RESID 64 (W): CB 29.397 29.397 29.432 -0.035 RESID 64 (W): H 8.970 8.970 9.567 -0.597 RESID 65 (D): N 119.607 119.607 125.913 -6.306 RESID 65 (D): C 174.514 174.514 175.791 -1.277 RESID 65 (D): CA 55.164 55.164 53.232 1.932 RESID 65 (D): CB 41.109 41.109 42.965 -1.857 RESID 65 (D): H 8.638 8.638 8.927 -0.289 RESID 66 (T): N 122.463 122.463 117.340 5.123 RESID 66 (T): C 178.617 178.617 173.939 4.678 RESID 66 (T): CA 68.048 68.048 59.660 8.388 RESID 66 (T): CB 71.562 71.562 71.048 0.514 RESID 66 (T): H 8.293 8.293 8.275 0.018 RESID 67 (A): N 104.865 104.865 122.201 -17.336 RESID 67 (A): C 177.738 177.738 178.039 -0.301 RESID 67 (A): CA 48.722 48.722 51.339 -2.617 RESID 67 (A): CB 14.171 14.171 20.316 -6.145 RESID 67 (A): H 8.657 8.657 7.899 0.758 RESID 68 (G): N 115.357 115.357 110.032 5.325 RESID 68 (G): C 189.533 189.533 176.239 13.294 RESID 68 (G): CA 45.209 45.209 46.016 -0.807 RESID 68 (G): H 10.969 10.969 9.019 1.950 RESID 69 (Q): N 122.730 122.730 119.774 2.956 RESID 69 (Q): C 174.508 174.508 176.455 -1.947 RESID 69 (Q): CA 58.394 58.394 57.108 1.286 RESID 69 (Q): CB 31.441 31.441 28.482 2.959 RESID 69 (Q): H 8.336 8.336 8.626 -0.290 RESID 70 (E): N 114.826 114.826 120.762 -5.936 RESID 70 (E): C 176.273 176.273 175.574 0.699 RESID 70 (E): CA 57.507 57.507 56.562 0.945 RESID 70 (E): CB 28.811 28.811 30.221 -1.411 RESID 70 (E): H 9.651 9.651 8.309 1.342 RESID 71 (K): N 116.685 116.685 123.286 -6.601 RESID 71 (K): C 175.979 175.979 176.412 -0.433 RESID 71 (K): CA 48.722 48.722 55.925 -7.203 RESID 71 (K): CB 37.010 37.010 32.944 4.066 RESID 71 (K): H 8.712 8.712 8.268 0.444 RESID 72 (F): N 114.959 114.959 119.755 -4.796 RESID 72 (F): C 175.686 175.686 176.993 -1.307 RESID 72 (F): CA 56.336 56.336 58.743 -2.407 RESID 72 (F): CB 36.424 36.424 38.917 -2.493 RESID 72 (F): H 7.965 7.965 7.989 -0.024 RESID 73 (G): N 117.084 117.084 112.371 4.713 RESID 73 (G): C 168.068 168.068 174.582 -6.514 RESID 73 (G): CA 42.281 42.281 44.920 -2.639 RESID 73 (G): H 7.609 7.609 7.662 -0.053 RESID 74 (G): N 120.537 120.537 107.691 12.846 RESID 74 (G): C 174.514 174.514 176.361 -1.847 RESID 74 (G): CA 44.037 44.037 46.575 -2.538 RESID 74 (G): H 9.326 9.326 8.407 0.919 RESID 75 (L): N 127.177 127.177 118.535 8.642 RESID 75 (L): C 178.617 178.617 177.559 1.058 RESID 75 (L): CA 53.407 53.407 56.606 -3.199 RESID 75 (L): CB 42.281 42.281 41.301 0.980 RESID 75 (L): H 7.628 7.628 7.659 -0.031 RESID 76 (R): N 116.486 116.486 117.382 -0.896 RESID 76 (R): C 176.859 176.859 176.583 0.276 RESID 76 (R): CA 59.264 59.264 56.181 3.083 RESID 76 (R): CB 31.154 31.154 29.884 1.270 RESID 76 (R): H 7.143 7.143 7.465 -0.322 RESID 77 (D): N 129.236 129.236 121.006 8.230 RESID 77 (D): C 177.152 177.152 177.929 -0.777 RESID 77 (D): CA 52.822 52.822 57.689 -4.867 RESID 77 (D): CB 41.695 41.695 40.370 1.325 RESID 77 (D): H 8.947 8.947 7.610 1.337 RESID 78 (G): N 127.244 127.244 107.528 19.716 RESID 78 (G): C 173.928 173.928 175.407 -1.479 RESID 78 (G): CA 44.623 44.623 46.771 -2.148 RESID 78 (G): H 8.219 8.219 8.396 -0.177 RESID 79 (Y): N 120.537 120.537 118.409 2.128 RESID 79 (Y): C 176.273 176.273 176.354 -0.081 RESID 79 (Y): CA 58.678 58.678 58.807 -0.129 RESID 79 (Y): CB 40.524 40.524 37.778 2.746 RESID 79 (Y): H 8.563 8.563 7.226 1.337 RESID 80 (Y): N 122.132 122.132 114.970 7.162 RESID 80 (Y): C 175.979 175.979 176.906 -0.927 RESID 80 (Y): CA 62.203 62.203 60.113 2.090 RESID 80 (Y): CB 41.988 41.988 38.792 3.196 RESID 80 (Y): H 8.254 8.254 7.428 0.826 RESID 81 (I): N 120.072 120.072 118.728 1.344 RESID 81 (I): C 177.445 177.445 175.325 2.120 RESID 81 (I): CA 67.462 67.462 63.810 3.652 RESID 81 (I): CB 41.109 41.109 37.955 3.154 RESID 81 (I): H 8.837 8.837 7.732 1.105 RESID 82 (Q): N 121.601 121.601 119.808 1.793 RESID 82 (Q): C 173.342 173.342 175.036 -1.694 RESID 82 (Q): CA 59.859 59.859 56.557 3.302 RESID 82 (Q): CB 30.855 30.855 27.066 3.789 RESID 82 (Q): H 8.184 8.184 8.642 -0.458 RESID 83 (A): N 109.713 109.713 121.096 -11.383 RESID 83 (A): C 175.979 175.979 176.763 -0.784 RESID 83 (A): CA 54.579 54.579 53.110 1.469 RESID 83 (A): CB 16.513 16.513 19.543 -3.030 RESID 83 (A): H 6.306 6.306 7.758 -1.452 RESID 84 (Q): N 121.203 121.203 120.361 0.842 RESID 84 (Q): C 177.144 177.144 176.052 1.092 RESID 84 (Q): CA 60.152 60.152 56.663 3.489 RESID 84 (Q): CB 34.957 34.957 31.432 3.525 RESID 84 (Q): H 8.180 8.180 8.686 -0.506 RESID 85 (C): N 120.605 120.605 111.750 8.855 RESID 85 (C): C 176.566 176.566 172.612 3.954 RESID 85 (C): CA 65.430 65.430 56.414 9.016 RESID 85 (C): CB 39.644 39.644 31.103 8.541 RESID 85 (C): H 8.364 8.364 7.647 0.717 RESID 86 (A): N 114.295 114.295 120.973 -6.678 RESID 86 (A): CA 57.507 57.507 50.874 6.633 RESID 86 (A): CB 21.784 21.784 22.832 -1.048 RESID 86 (A): H 6.897 6.897 8.674 -1.777 RESID 87 (I): N 120.670 120.670 120.214 0.456 RESID 87 (I): C 173.928 173.928 174.677 -0.749 RESID 87 (I): CA 61.020 61.020 60.089 0.931 RESID 87 (I): CB 39.938 39.938 41.440 -1.502 RESID 87 (I): H 8.282 8.282 8.592 -0.310 RESID 88 (I): N 120.205 120.205 127.378 -7.173 RESID 88 (I): C 173.635 173.635 174.908 -1.273 RESID 88 (I): CA 64.534 64.534 60.261 4.273 RESID 88 (I): CB 37.596 37.596 39.959 -2.363 RESID 88 (I): H 5.528 5.528 8.962 -3.434 RESID 89 (M): N 120.472 120.472 126.132 -5.660 RESID 89 (M): C 178.617 178.617 175.065 3.552 RESID 89 (M): CA 58.980 58.980 54.262 4.718 RESID 89 (M): CB 34.957 34.957 35.089 -0.132 RESID 89 (M): H 8.176 8.176 8.648 -0.472 RESID 90 (F): N 121.134 121.134 118.539 2.595 RESID 90 (F): C 175.393 175.393 172.999 2.394 RESID 90 (F): CA 60.435 60.435 55.391 5.044 RESID 90 (F): CB 38.767 38.767 42.073 -3.306 RESID 90 (F): H 9.334 9.334 8.675 0.659 RESID 91 (D): N 120.273 120.273 120.834 -0.561 RESID 91 (D): C 177.730 177.730 178.124 -0.394 RESID 91 (D): CA 59.859 59.859 52.409 7.450 RESID 91 (D): CB 44.039 44.039 42.738 1.301 RESID 91 (D): H 7.597 7.597 8.908 -1.311 RESID 92 (V): N 115.158 115.158 123.563 -8.405 RESID 92 (V): C 173.342 173.342 176.610 -3.268 RESID 92 (V): CA 64.534 64.534 64.977 -0.443 RESID 92 (V): CB 37.596 37.596 31.338 6.258 RESID 92 (V): H 7.738 7.738 8.538 -0.800 RESID 93 (T): N 127.179 127.179 110.381 16.798 RESID 93 (T): C 178.902 178.902 174.790 4.112 RESID 93 (T): CA 64.254 64.254 63.129 1.125 RESID 93 (T): CB 74.215 74.215 69.185 5.030 RESID 93 (T): H 7.636 7.636 8.172 -0.536 RESID 94 (S): N 122.263 122.263 116.486 5.777 RESID 94 (S): C 163.965 163.965 174.883 -10.918 RESID 94 (S): CA 59.849 59.849 55.558 4.291 RESID 94 (S): CB 62.192 62.192 64.133 -1.941 RESID 94 (S): H 7.628 7.628 7.939 -0.311 RESID 95 (R): N 113.099 113.099 128.577 -15.478 RESID 95 (R): C 176.273 176.273 178.121 -1.848 RESID 95 (R): CA 53.407 53.407 59.578 -6.171 RESID 95 (R): CB 31.154 31.154 30.116 1.038 RESID 95 (R): H 8.102 8.102 9.081 -0.979 RESID 96 (V): N 124.787 124.787 119.303 5.484 RESID 96 (V): C 178.031 178.031 177.756 0.275 RESID 96 (V): CA 68.634 68.634 66.431 2.203 RESID 96 (V): CB 24.126 24.126 31.358 -7.232 RESID 96 (V): H 9.146 9.146 8.127 1.019 RESID 97 (T): N 111.970 111.970 116.100 -4.130 RESID 97 (T): C 178.031 178.031 175.953 2.078 RESID 97 (T): CA 63.949 63.949 66.296 -2.347 RESID 97 (T): CB 70.390 70.390 69.001 1.389 RESID 97 (T): H 7.984 7.984 7.625 0.359 RESID 98 (Y): N 113.232 113.232 121.092 -7.860 RESID 98 (Y): C 176.273 176.273 177.472 -1.199 RESID 98 (Y): H 7.605 7.605 7.689 -0.084 RESID 99 (K): N 123.726 123.726 118.690 5.036 RESID 99 (K): C 178.316 178.316 178.438 -0.122 RESID 99 (K): CA 58.691 58.691 59.414 -0.723 RESID 99 (K): CB 36.127 36.127 32.021 4.106 RESID 99 (K): H 8.360 8.360 8.083 0.277 RESID 100 (N): N 111.970 111.970 116.101 -4.131 RESID 100 (N): C 175.979 175.979 176.774 -0.795 RESID 100 (N): CA 53.407 53.407 55.096 -1.689 RESID 100 (N): CB 37.596 37.596 38.750 -1.154 RESID 100 (N): H 5.778 5.778 7.745 -1.967 RESID 101 (V): N 118.877 118.877 121.710 -2.833 RESID 101 (V): C 173.635 173.635 174.977 -1.342 RESID 101 (V): CA 62.777 62.777 68.500 -5.723 RESID 101 (V): CB 27.054 27.054 29.261 -2.207 RESID 101 (V): H 7.370 7.370 7.630 -0.260 RESID 102 (P): C 176.566 176.566 177.145 -0.579 RESID 102 (P): CA 62.500 62.500 65.247 -2.747 RESID 102 (P): CB 30.853 30.853 31.043 -0.190 RESID 103 (N): N 122.728 122.728 115.671 7.057 RESID 103 (N): C 175.100 175.100 176.758 -1.658 RESID 103 (N): CA 54.579 54.579 54.792 -0.213 RESID 103 (N): CB 38.767 38.767 37.306 1.461 RESID 103 (N): H 7.879 7.879 7.469 0.410 RESID 104 (W): N 122.730 122.730 120.178 2.552 RESID 104 (W): C 174.215 174.215 177.490 -3.275 RESID 104 (W): CA 59.273 59.273 60.578 -1.305 RESID 104 (W): CB 35.250 35.250 30.054 5.196 RESID 104 (W): H 7.902 7.902 7.681 0.221 RESID 105 (H): N 120.869 120.869 117.138 3.731 RESID 105 (H): C 177.738 177.738 174.450 3.288 RESID 105 (H): H 6.971 6.971 8.409 -1.438 RESID 106 (R): N 126.314 126.314 123.458 2.856 RESID 106 (R): C 176.566 176.566 176.225 0.341 RESID 106 (R): CA 62.777 62.777 57.467 5.310 RESID 106 (R): CB 29.397 29.397 31.126 -1.729 RESID 106 (R): H 7.507 7.507 7.944 -0.437 RESID 107 (D): N 119.076 119.076 121.563 -2.487 RESID 107 (D): C 176.566 176.566 178.394 -1.828 RESID 107 (D): CA 55.164 55.164 57.532 -2.368 RESID 107 (D): CB 41.695 41.695 41.048 0.647 RESID 107 (D): H 9.076 9.076 7.861 1.215 RESID 108 (L): N 113.299 113.299 119.046 -5.747 RESID 108 (L): C 176.273 176.273 178.377 -2.104 RESID 108 (L): CA 59.264 59.264 58.127 1.137 RESID 108 (L): CB 48.722 48.722 41.566 7.156 RESID 108 (L): H 6.725 6.725 7.904 -1.179 RESID 109 (V): N 121.267 121.267 113.437 7.830 RESID 109 (V): C 175.393 175.393 178.197 -2.804 RESID 109 (V): CA 63.949 63.949 64.387 -0.438 RESID 109 (V): CB 32.911 32.911 30.920 1.991 RESID 109 (V): H 8.763 8.763 7.687 1.076 RESID 110 (R): N 112.900 112.900 119.830 -6.930 RESID 110 (R): C 176.273 176.273 177.572 -1.299 RESID 110 (R): CA 57.507 57.507 59.103 -1.596 RESID 110 (R): CB 30.568 30.568 30.342 0.226 RESID 110 (R): H 7.241 7.241 7.548 -0.307 RESID 111 (V): N 115.556 115.556 117.418 -1.862 RESID 111 (V): C 177.445 177.445 177.226 0.219 RESID 111 (V): CA 59.849 59.849 64.579 -4.730 RESID 111 (V): CB 32.911 32.911 32.876 0.035 RESID 111 (V): H 7.566 7.566 7.518 0.048 RESID 112 (C): N 114.295 114.295 116.086 -1.791 RESID 112 (C): C 169.826 169.826 174.825 -4.999 RESID 112 (C): CA 57.507 57.507 60.870 -3.363 RESID 112 (C): CB 35.839 35.839 28.689 7.150 RESID 112 (C): H 7.425 7.425 7.953 -0.528 RESID 113 (E): N 116.486 116.486 116.151 0.335 RESID 113 (E): C 176.566 176.566 175.648 0.918 RESID 113 (E): CA 69.219 69.219 58.026 11.193 RESID 113 (E): CB 30.568 30.568 28.175 2.393 RESID 113 (E): H 7.241 7.241 7.902 -0.661 RESID 114 (N): N 129.302 129.302 122.532 6.770 RESID 114 (N): C 175.100 175.100 174.598 0.502 RESID 114 (N): CA 52.236 52.236 52.967 -0.731 RESID 114 (N): CB 39.938 39.938 38.640 1.298 RESID 114 (N): H 8.919 8.919 8.415 0.504 RESID 115 (I): N 110.443 110.443 120.907 -10.464 RESID 115 (I): C 175.100 175.100 173.590 1.510 RESID 115 (I): CA 65.705 65.705 57.990 7.715 RESID 115 (I): CB 39.353 39.353 39.568 -0.214 RESID 115 (I): H 9.287 9.287 7.902 1.385 RESID 116 (P): C 175.979 175.979 175.643 0.336 RESID 116 (P): CA 63.086 63.086 63.023 0.063 RESID 116 (P): CB 29.681 29.681 32.537 -2.856 RESID 117 (I): N 123.591 123.591 123.777 -0.186 RESID 117 (I): C 174.807 174.807 175.107 -0.300 RESID 117 (I): CA 66.291 66.291 60.304 5.987 RESID 117 (I): CB 38.767 38.767 42.221 -3.454 RESID 117 (I): H 7.781 7.781 8.525 -0.744 RESID 118 (V): N 119.009 119.009 125.813 -6.804 RESID 118 (V): C 178.324 178.324 174.850 3.474 RESID 118 (V): CA 62.777 62.777 60.864 1.913 RESID 118 (V): CB 31.154 31.154 34.154 -3.000 RESID 118 (V): H 8.767 8.767 8.613 0.154 RESID 119 (L): N 119.408 119.408 126.942 -7.534 RESID 119 (L): C 178.031 178.031 176.076 1.955 RESID 119 (L): CA 42.866 42.866 53.931 -11.065 RESID 119 (L): CB 38.767 38.767 43.691 -4.924 RESID 119 (L): H 7.734 7.734 9.254 -1.520 RESID 120 (C): N 113.232 113.232 122.120 -8.888 RESID 120 (C): C 178.031 178.031 174.143 3.888 RESID 120 (C): H 8.317 8.317 9.146 -0.829 RESID 121 (G): N 117.349 117.349 112.810 4.539 RESID 121 (G): C 176.851 176.851 172.851 4.000 RESID 121 (G): CA 41.109 41.109 43.685 -2.576 RESID 121 (G): H 7.515 7.515 8.955 -1.440 RESID 122 (N): N 125.318 125.318 126.006 -0.688 RESID 122 (N): C 175.686 175.686 175.596 0.090 RESID 122 (N): CA 50.479 50.479 52.917 -2.438 RESID 122 (N): CB 39.353 39.353 40.008 -0.655 RESID 122 (N): H 9.162 9.162 8.622 0.540 RESID 123 (K): N 122.132 122.132 114.581 7.551 RESID 123 (K): C 173.043 173.043 177.072 -4.029 RESID 123 (K): CA 58.101 58.101 57.556 0.545 RESID 123 (K): CB 35.543 35.543 29.813 5.730 RESID 123 (K): H 7.953 7.953 8.787 -0.834 RESID 124 (V): N 123.726 123.726 113.205 10.521 RESID 124 (V): C 175.679 175.679 176.559 -0.880 RESID 124 (V): CA 64.840 64.840 64.657 0.183 RESID 124 (V): CB 42.574 42.574 31.338 11.236 RESID 124 (V): H 8.555 8.555 7.605 0.950 RESID 125 (D): N 119.607 119.607 119.992 -0.385 RESID 125 (D): C 176.566 176.566 176.960 -0.394 RESID 125 (D): CA 55.750 55.750 56.495 -0.745 RESID 125 (D): CB 40.524 40.524 40.989 -0.466 RESID 125 (D): H 7.875 7.875 8.283 -0.408 RESID 126 (I): N 116.088 116.088 120.598 -4.510 RESID 126 (I): C 177.152 177.152 176.478 0.674 RESID 126 (I): CA 66.291 66.291 61.928 4.363 RESID 126 (I): CB 39.353 39.353 38.288 1.065 RESID 126 (I): H 7.511 7.511 7.526 -0.015 RESID 127 (K): N 121.203 121.203 125.418 -4.215 RESID 127 (K): C 175.979 175.979 177.149 -1.170 RESID 127 (K): CA 58.101 58.101 58.741 -0.640 RESID 127 (K): CB 35.834 35.834 32.565 3.269 RESID 127 (K): H 8.113 8.113 8.452 -0.339 RESID 128 (D): N 118.279 118.279 120.234 -1.955 RESID 128 (D): C 176.566 176.566 175.061 1.505 RESID 128 (D): CA 53.407 53.407 52.947 0.461 RESID 128 (D): CB 40.524 40.524 39.658 0.866 RESID 128 (D): H 7.241 7.241 8.218 -0.977 RESID 129 (R): N 118.943 118.943 122.472 -3.529 RESID 129 (R): C 177.738 177.738 176.608 1.130 RESID 129 (R): CA 45.794 45.794 56.586 -10.792 RESID 129 (R): CB 31.154 31.154 31.201 -0.047 RESID 129 (R): H 8.423 8.423 7.808 0.615 RESID 130 (K): N 109.381 109.381 121.346 -11.965 RESID 130 (K): C 176.566 176.566 176.744 -0.178 RESID 130 (K): CA 55.164 55.164 56.157 -0.993 RESID 130 (K): CB 36.424 36.424 33.975 2.449 RESID 130 (K): H 7.296 7.296 8.610 -1.314 RESID 131 (V): N 110.377 110.377 121.292 -10.915 RESID 131 (V): C 178.617 178.617 174.930 3.687 RESID 131 (V): CA 65.705 65.705 61.879 3.826 RESID 131 (V): CB 35.839 35.839 31.231 4.608 RESID 131 (V): H 9.283 9.283 7.929 1.354 RESID 132 (K): N 110.310 110.310 128.009 -17.699 RESID 132 (K): C 176.273 176.273 177.527 -1.254 RESID 132 (K): CA 59.849 59.849 55.742 4.107 RESID 132 (K): CB 35.253 35.253 33.567 1.686 RESID 132 (K): H 9.709 9.709 8.237 1.472 RESID 133 (A): N 134.349 134.349 126.739 7.610 RESID 133 (A): CA 51.065 51.065 54.818 -3.753 RESID 133 (A): CB 12.999 12.999 18.600 -5.601 RESID 133 (A): H 6.322 6.322 8.740 -2.418 RESID 134 (K): N 117.615 117.615 118.025 -0.410 RESID 134 (K): C 176.859 176.859 178.166 -1.307 RESID 134 (K): CA 55.750 55.750 58.563 -2.813 RESID 134 (K): CB 54.579 54.579 32.223 22.356 RESID 134 (K): H 6.549 6.549 8.317 -1.768 RESID 135 (S): N 109.314 109.314 113.694 -4.380 RESID 135 (S): C 173.635 173.635 175.346 -1.711 RESID 135 (S): CA 56.336 56.336 59.977 -3.640 RESID 135 (S): CB 63.949 63.949 63.015 0.934 RESID 135 (S): H 7.840 7.840 7.718 0.122 RESID 136 (I): N 124.123 124.123 122.022 2.101 RESID 136 (I): C 175.100 175.100 175.760 -0.660 RESID 136 (I): CA 68.634 68.634 62.789 5.845 RESID 136 (I): CB 43.452 43.452 37.905 5.547 RESID 136 (I): H 8.098 8.098 7.319 0.779 RESID 137 (V): N 113.232 113.232 123.791 -10.559 RESID 137 (V): C 176.859 176.859 176.325 0.534 RESID 137 (V): CA 64.534 64.534 62.162 2.372 RESID 137 (V): CB 34.082 34.082 32.457 1.625 RESID 137 (V): H 7.711 7.711 8.073 -0.362 RESID 138 (F): N 118.279 118.279 123.129 -4.850 RESID 138 (F): C 175.393 175.393 176.305 -0.912 RESID 138 (F): CA 58.092 58.092 62.568 -4.476 RESID 138 (F): CB 39.353 39.353 39.207 0.146 RESID 138 (F): H 8.317 8.317 7.633 0.684 RESID 139 (H): N 120.605 120.605 115.512 5.093 RESID 139 (H): C 175.979 175.979 176.990 -1.011 RESID 139 (H): CA 67.775 67.775 59.174 8.601 RESID 139 (H): CB 35.836 35.836 28.875 6.962 RESID 139 (H): H 8.094 8.094 8.920 -0.826 RESID 140 (R): N 120.140 120.140 120.110 0.030 RESID 140 (R): C 178.023 178.023 179.122 -1.099 RESID 140 (R): CA 58.394 58.394 59.184 -0.790 RESID 140 (R): CB 39.644 39.644 29.806 9.838 RESID 140 (R): H 8.149 8.149 7.043 1.106 RESID 141 (K): N 115.623 115.623 119.967 -4.344 RESID 141 (K): C 173.635 173.635 178.123 -4.488 RESID 141 (K): CA 58.092 58.092 58.702 -0.610 RESID 141 (K): CB 33.496 33.496 32.331 1.165 RESID 141 (K): H 7.449 7.449 7.386 0.063 RESID 142 (K): N 114.162 114.162 115.230 -1.068 RESID 142 (K): C 175.979 175.979 175.674 0.305 RESID 142 (K): CA 51.065 51.065 54.844 -3.779 RESID 142 (K): CB 34.668 34.668 31.860 2.808 RESID 142 (K): H 8.982 8.982 7.518 1.464 RESID 143 (N): N 112.103 112.103 115.922 -3.819 RESID 143 (N): C 175.100 175.100 174.198 0.902 RESID 143 (N): CA 53.407 53.407 54.113 -0.706 RESID 143 (N): CB 39.938 39.938 36.133 3.805 RESID 143 (N): H 7.402 7.402 7.760 -0.358 RESID 144 (L): N 118.810 118.810 117.135 1.675 RESID 144 (L): CA 53.993 53.993 53.434 0.558 RESID 144 (L): CB 42.866 42.866 44.381 -1.515 RESID 144 (L): H 7.793 7.793 8.047 -0.254 RESID 145 (Q): N 119.607 119.607 118.057 1.550 RESID 145 (Q): C 176.859 176.859 174.343 2.516 RESID 145 (Q): CA 55.164 55.164 53.590 1.574 RESID 145 (Q): CB 29.983 29.983 31.138 -1.155 RESID 145 (Q): H 7.014 7.014 8.217 -1.203 RESID 146 (Y): N 119.275 119.275 123.915 -4.640 RESID 146 (Y): C 174.807 174.807 174.389 0.418 RESID 146 (Y): CA 62.777 62.777 56.115 6.662 RESID 146 (Y): CB 41.109 41.109 40.926 0.183 RESID 146 (Y): H 9.350 9.350 8.168 1.182 RESID 147 (Y): N 123.658 123.658 124.927 -1.269 RESID 147 (Y): C 177.738 177.738 173.644 4.094 RESID 147 (Y): CA 58.092 58.092 56.246 1.846 RESID 147 (Y): CB 39.938 39.938 42.235 -2.297 RESID 147 (Y): H 8.340 8.340 8.561 -0.221 RESID 148 (D): N 121.267 121.267 123.320 -2.053 RESID 148 (D): C 176.859 176.859 175.186 1.673 RESID 148 (D): CA 54.579 54.579 54.411 0.168 RESID 148 (D): CB 41.109 41.109 41.800 -0.691 RESID 148 (D): H 8.911 8.911 8.302 0.609 RESID 149 (I): N 119.607 119.607 118.393 1.214 RESID 149 (I): C 174.807 174.807 174.154 0.653 RESID 149 (I): CA 61.020 61.020 59.089 1.931 RESID 149 (I): CB 39.353 39.353 42.619 -3.266 RESID 149 (I): H 8.712 8.712 8.674 0.038 RESID 150 (S): N 117.349 117.349 116.698 0.651 RESID 150 (S): C 175.686 175.686 174.340 1.346 RESID 150 (S): CA 60.435 60.435 55.886 4.549 RESID 150 (S): CB 62.192 62.192 65.323 -3.131 RESID 150 (S): H 8.454 8.454 8.596 -0.142 RESID 151 (A): N 131.162 131.162 131.505 -0.343 RESID 151 (A): C 160.742 160.742 178.460 -17.718 RESID 151 (A): CA 53.993 53.993 54.760 -0.767 RESID 151 (A): CB 22.369 22.369 18.980 3.389 RESID 151 (A): H 10.640 10.640 8.849 1.791 RESID 152 (K): N 121.400 121.400 116.922 4.478 RESID 152 (K): C 174.221 174.221 177.728 -3.507 RESID 152 (K): CA 59.849 59.849 58.750 1.099 RESID 152 (K): CB 34.668 34.668 32.673 1.995 RESID 152 (K): H 9.099 9.099 8.290 0.809 RESID 153 (S): N 135.212 135.212 111.373 23.839 RESID 153 (S): C 177.152 177.152 174.979 2.173 RESID 153 (S): CA 62.192 62.192 58.246 3.946 RESID 153 (S): CB 66.291 66.291 64.802 1.489 RESID 153 (S): H 8.935 8.935 7.933 1.002 RESID 154 (N): N 119.341 119.341 115.110 4.231 RESID 154 (N): C 175.979 175.979 174.628 1.351 RESID 154 (N): CA 49.894 49.894 54.946 -5.052 RESID 154 (N): CB 39.353 39.353 37.053 2.300 RESID 154 (N): H 7.488 7.488 8.583 -1.095 RESID 155 (Y): N 120.074 120.074 122.789 -2.715 RESID 155 (Y): C 177.144 177.144 175.839 1.305 RESID 155 (Y): CA 60.738 60.738 59.645 1.093 RESID 155 (Y): CB 41.402 41.402 38.339 3.063 RESID 155 (Y): H 7.945 7.945 7.468 0.477 RESID 156 (N): N 124.058 124.058 122.857 1.201 RESID 156 (N): C 175.679 175.679 175.999 -0.320 RESID 156 (N): CA 53.121 53.121 54.443 -1.322 RESID 156 (N): CB 38.179 38.179 36.239 1.940 RESID 156 (N): H 8.192 8.192 8.723 -0.531 RESID 157 (F): N 123.459 123.459 117.248 6.211 RESID 157 (F): C 174.221 174.221 175.915 -1.694 RESID 157 (F): CA 57.507 57.507 60.902 -3.395 RESID 157 (F): CB 39.353 39.353 38.435 0.918 RESID 157 (F): H 7.429 7.429 8.016 -0.587 RESID 158 (E): N 112.568 112.568 117.466 -4.898 RESID 158 (E): C 176.566 176.566 177.841 -1.275 RESID 158 (E): CA 72.147 72.147 57.131 15.016 RESID 158 (E): CB 27.640 27.640 28.865 -1.225 RESID 158 (E): H 7.495 7.495 7.965 -0.470 RESID 159 (K): N 113.232 113.232 119.777 -6.545 RESID 159 (K): C 176.566 176.566 176.123 0.443 RESID 159 (K): CA 53.993 53.993 61.798 -7.805 RESID 159 (K): CB 33.496 33.496 30.011 3.485 RESID 159 (K): H 6.862 6.862 7.476 -0.614 RESID 160 (P): C 176.273 176.273 178.707 -2.434 RESID 160 (P): CA 64.258 64.258 65.636 -1.378 RESID 160 (P): CB 32.318 32.318 31.221 1.097 RESID 161 (F): N 123.726 123.726 117.166 6.560 RESID 161 (F): C 176.851 176.851 177.941 -1.090 RESID 161 (F): CA 60.445 60.445 62.221 -1.776 RESID 161 (F): CB 40.816 40.816 38.127 2.689 RESID 161 (F): H 8.215 8.215 7.477 0.738 RESID 162 (L): N 110.177 110.177 119.377 -9.200 RESID 162 (L): C 176.273 176.273 178.552 -2.279 RESID 162 (L): CA 55.750 55.750 58.060 -2.310 RESID 162 (L): CB 44.037 44.037 41.506 2.531 RESID 162 (L): H 7.527 7.527 7.958 -0.431 RESID 163 (W): N 123.525 123.525 121.456 2.069 RESID 163 (W): C 177.152 177.152 178.007 -0.855 RESID 163 (W): CA 61.606 61.606 60.809 0.797 RESID 163 (W): CB 28.811 28.811 29.886 -1.075 RESID 163 (W): H 7.476 7.476 8.380 -0.904 RESID 164 (L): N 119.740 119.740 118.821 0.919 RESID 164 (L): C 175.686 175.686 178.763 -3.077 RESID 164 (L): CA 61.020 61.020 57.651 3.369 RESID 164 (L): CB 45.794 45.794 41.330 4.464 RESID 164 (L): H 9.412 9.412 8.132 1.280 RESID 165 (A): N 118.013 118.013 121.400 -3.387 RESID 165 (A): C 165.723 165.723 179.542 -13.819 RESID 165 (A): CA 52.236 52.236 55.136 -2.900 RESID 165 (A): CB 21.784 21.784 18.118 3.666 RESID 165 (A): H 7.707 7.707 8.192 -0.485 RESID 166 (R): N 122.994 122.994 118.424 4.570 RESID 166 (R): C 175.979 175.979 178.785 -2.806 RESID 166 (R): CA 49.308 49.308 59.278 -9.970 RESID 166 (R): CB 29.397 29.397 30.101 -0.704 RESID 166 (R): H 8.692 8.692 8.087 0.605 RESID 167 (K): N 112.568 112.568 120.215 -7.647 RESID 167 (K): C 176.273 176.273 179.323 -3.050 RESID 167 (K): CA 58.092 58.092 59.005 -0.913 RESID 167 (K): CB 34.668 34.668 31.972 2.696 RESID 167 (K): H 6.819 6.819 7.376 -0.557 RESID 168 (L): N 114.959 114.959 119.698 -4.739 RESID 168 (L): C 177.738 177.738 179.067 -1.329 RESID 168 (L): CA 56.921 56.921 57.643 -0.722 RESID 168 (L): CB 41.695 41.695 42.018 -0.323 RESID 168 (L): H 7.269 7.269 7.823 -0.554 RESID 169 (I): N 122.199 122.199 115.946 6.253 RESID 169 (I): C 177.445 177.445 177.298 0.147 RESID 169 (I): CA 63.375 63.375 63.179 0.196 RESID 169 (I): CB 42.281 42.281 38.721 3.560 RESID 169 (I): H 8.360 8.360 8.166 0.194 RESID 170 (G): N 113.099 113.099 106.924 6.175 RESID 170 (G): C 162.496 162.496 173.618 -11.122 RESID 170 (G): CA 44.037 44.037 44.908 -0.871 RESID 170 (G): H 6.686 6.686 7.915 -1.229 RESID 171 (D): N 113.232 113.232 121.507 -8.275 RESID 171 (D): C 178.910 178.910 175.484 3.426 RESID 171 (D): CA 50.479 50.479 50.450 0.029 RESID 171 (D): CB 41.109 41.109 41.912 -0.803 RESID 171 (D): H 6.815 6.815 7.711 -0.896 RESID 172 (P): C 176.566 176.566 176.849 -0.283 RESID 172 (P): CA 63.965 63.965 64.083 -0.118 RESID 172 (P): CB 31.732 31.732 32.215 -0.483 RESID 173 (N): N 109.779 109.779 115.964 -6.185 RESID 173 (N): C 175.979 175.979 175.244 0.735 RESID 173 (N): CA 54.579 54.579 52.965 1.614 RESID 173 (N): CB 36.424 36.424 39.206 -2.782 RESID 173 (N): H 8.016 8.016 8.525 -0.509 RESID 174 (L): N 109.248 109.248 121.108 -11.860 RESID 174 (L): C 176.566 176.566 175.405 1.161 RESID 174 (L): CA 56.336 56.336 56.260 0.076 RESID 174 (L): CB 44.037 44.037 42.093 1.944 RESID 174 (L): H 7.871 7.871 7.313 0.558 RESID 175 (E): N 125.185 125.185 120.074 5.111 RESID 175 (E): C 177.445 177.445 175.217 2.228 RESID 175 (E): CA 76.247 76.247 54.236 22.011 RESID 175 (E): CB 28.811 28.811 34.084 -5.272 RESID 175 (E): H 9.127 9.127 8.174 0.953 RESID 176 (F): N 136.873 136.873 124.630 12.243 RESID 176 (F): C 178.617 178.617 175.383 3.234 RESID 176 (F): CA 59.264 59.264 58.753 0.511 RESID 176 (F): CB 44.623 44.623 39.833 4.790 RESID 176 (F): H 10.058 10.058 8.731 1.327 RESID 177 (V): N 118.877 118.877 122.949 -4.072 RESID 177 (V): C 177.445 177.445 174.462 2.983 RESID 177 (V): CA 62.777 62.777 59.769 3.009 RESID 177 (V): CB 34.668 34.668 34.356 0.312 RESID 177 (V): H 7.789 7.789 8.199 -0.410 RESID 178 (A): N 123.859 123.859 130.283 -6.424 RESID 178 (A): C 177.144 177.144 176.036 1.108 RESID 178 (A): CA 54.000 54.000 53.391 0.609 RESID 178 (A): CB 15.035 15.035 18.323 -3.288 RESID 178 (A): H 7.683 7.683 7.975 -0.292 RESID 179 (M): N 121.668 121.668 116.092 5.576 RESID 179 (M): C 177.144 177.144 173.406 3.738 RESID 179 (M): CA 60.445 60.445 54.883 5.562 RESID 179 (M): CB 39.351 39.351 33.214 6.137 RESID 179 (M): H 7.648 7.648 7.959 -0.311 RESID 180 (P): C 177.445 177.445 175.525 1.920 RESID 180 (P): CA 64.844 64.844 63.028 1.816 RESID 180 (P): CB 29.974 29.974 32.145 -2.171 RESID 181 (A): N 128.439 128.439 126.993 1.446 RESID 181 (A): C 176.273 176.273 177.202 -0.929 RESID 181 (A): CA 58.092 58.092 51.556 6.536 RESID 181 (A): CB 21.198 21.198 19.926 1.272 RESID 181 (A): H 8.673 8.673 8.259 0.414 RESID 182 (L): N 122.130 122.130 123.963 -1.833 RESID 182 (L): C 177.445 177.445 176.136 1.309 RESID 182 (L): CA 55.164 55.164 54.495 0.669 RESID 182 (L): CB 42.866 42.866 41.684 1.182 RESID 182 (L): H 8.821 8.821 8.488 0.333 RESID 183 (A): N 121.004 121.004 128.931 -7.927 RESID 183 (A): C 178.617 178.617 174.905 3.712 RESID 183 (A): CA 57.808 57.808 49.663 8.145 RESID 183 (A): CB 24.117 24.117 20.152 3.965 RESID 183 (A): H 8.356 8.356 8.207 0.149 RESID 184 (P): C 177.152 177.152 175.512 1.640 RESID 184 (P): CA 64.258 64.258 61.927 2.331 RESID 184 (P): CB 29.681 29.681 31.654 -1.973 RESID 185 (P): C 175.686 175.686 177.730 -2.044 RESID 185 (P): CA 63.379 63.379 62.656 0.723 RESID 185 (P): CB 35.248 35.248 32.718 2.530 RESID 186 (E): N 120.539 120.539 121.536 -0.997 RESID 186 (E): C 176.273 176.273 176.955 -0.682 RESID 186 (E): CA 58.101 58.101 58.159 -0.058 RESID 186 (E): CB 35.836 35.836 29.950 5.886 RESID 186 (E): H 8.086 8.086 8.586 -0.500 RESID 187 (V): N 124.455 124.455 113.622 10.833 RESID 187 (V): C 178.910 178.910 175.203 3.707 RESID 187 (V): CA 63.363 63.363 63.476 -0.113 RESID 187 (V): CB 34.082 34.082 31.521 2.561 RESID 187 (V): H 8.622 8.622 7.785 0.837 RESID 188 (V): N 128.572 128.572 120.351 8.221 RESID 188 (V): C 178.324 178.324 176.991 1.333 RESID 188 (V): CA 68.634 68.634 62.901 5.733 RESID 188 (V): CB 31.154 31.154 31.944 -0.790 RESID 188 (V): H 8.497 8.497 8.079 0.418 RESID 189 (M): N 122.795 122.795 119.241 3.554 RESID 189 (M): C 177.445 177.445 175.206 2.239 RESID 189 (M): CA 55.164 55.164 56.407 -1.243 RESID 189 (M): CB 35.253 35.253 33.418 1.835 RESID 189 (M): H 6.991 6.991 7.767 -0.776 RESID 190 (D): N 114.959 114.959 121.538 -6.579 RESID 190 (D): C 175.686 175.686 175.447 0.239 RESID 190 (D): CA 51.065 51.065 55.938 -4.873 RESID 190 (D): CB 41.695 41.695 40.758 0.937 RESID 190 (D): H 7.210 7.210 8.730 -1.520 RESID 191 (P): C 176.566 176.566 179.057 -2.491 RESID 191 (P): CA 63.965 63.965 65.151 -1.186 RESID 191 (P): CB 31.146 31.146 31.415 -0.269 RESID 192 (A): N 109.513 109.513 121.048 -11.535 RESID 192 (A): CA 53.993 53.993 54.290 -0.297 RESID 192 (A): CB 19.441 19.441 18.338 1.103 RESID 192 (A): H 7.394 7.394 8.094 -0.700 RESID 193 (L): N 119.009 119.009 119.053 -0.044 RESID 193 (L): C 175.979 175.979 176.707 -0.728 RESID 193 (L): CA 56.336 56.336 54.781 1.555 RESID 193 (L): CB 42.866 42.866 41.942 0.924 RESID 193 (L): H 8.340 8.340 7.891 0.449 RESID 194 (A): N 121.666 121.666 120.940 0.726 RESID 194 (A): C 166.896 166.896 177.888 -10.992 RESID 194 (A): CA 55.164 55.164 52.876 2.288 RESID 194 (A): CB 16.513 16.513 19.269 -2.756 RESID 194 (A): H 8.176 8.176 7.478 0.698 RESID 195 (A): N 119.541 119.541 118.858 0.683 RESID 195 (A): C 173.928 173.928 179.282 -5.354 RESID 195 (A): CA 57.507 57.507 54.036 3.471 RESID 195 (A): CB 19.441 19.441 17.119 2.322 RESID 195 (A): H 8.364 8.364 8.781 -0.417 RESID 196 (Q): N 107.322 107.322 119.787 -12.465 RESID 196 (Q): C 176.273 176.273 177.420 -1.147 RESID 196 (Q): CA 56.921 56.921 57.979 -1.058 RESID 196 (Q): CB 29.983 29.983 28.474 1.508 RESID 196 (Q): H 7.910 7.910 7.961 -0.051 RESID 197 (Y): N 119.277 119.277 118.130 1.147 RESID 197 (Y): C 178.316 178.316 178.249 0.067 RESID 197 (Y): CA 56.343 56.343 61.226 -4.883 RESID 197 (Y): CB 43.453 43.453 37.764 5.689 RESID 197 (Y): H 8.180 8.180 8.421 -0.241 RESID 198 (E): N 110.244 110.244 118.773 -8.529 RESID 198 (E): C 176.273 176.273 178.786 -2.513 RESID 198 (E): CA 53.407 53.407 59.710 -6.303 RESID 198 (E): CB 30.568 30.568 29.299 1.269 RESID 198 (E): H 7.523 7.523 7.915 -0.392 RESID 199 (H): N 119.211 119.211 119.182 0.029 RESID 199 (H): C 178.902 178.902 177.218 1.684 RESID 199 (H): CA 58.687 58.687 59.454 -0.767 RESID 199 (H): CB 34.957 34.957 29.572 5.385 RESID 199 (H): H 8.258 8.258 7.751 0.507 RESID 200 (D): N 124.722 124.722 119.974 4.748 RESID 200 (D): C 176.705 176.705 178.844 -2.139 RESID 200 (D): CA 58.687 58.687 57.178 1.509 RESID 200 (D): CB 39.644 39.644 40.422 -0.778 RESID 200 (D): H 8.086 8.086 7.775 0.311 RESID 201 (L): N 116.353 116.353 120.283 -3.930 RESID 201 (L): C 178.910 178.910 179.148 -0.238 RESID 201 (L): CA 61.606 61.606 58.276 3.330 RESID 201 (L): CB 41.109 41.109 41.752 -0.643 RESID 201 (L): H 7.722 7.722 8.140 -0.418 RESID 202 (E): N 118.080 118.080 119.854 -1.774 RESID 202 (E): C 176.566 176.566 179.398 -2.832 RESID 202 (E): CA 56.921 56.921 59.345 -2.424 RESID 202 (E): CB 30.568 30.568 29.589 0.979 RESID 202 (E): H 8.857 8.857 8.006 0.851 RESID 203 (V): N 129.369 129.369 120.070 9.299 RESID 203 (V): C 178.617 178.617 177.594 1.023 RESID 203 (V): CA 64.534 64.534 66.904 -2.370 RESID 203 (V): CB 27.640 27.640 31.194 -3.554 RESID 203 (V): H 9.283 9.283 7.472 1.811 RESID 204 (A): N 109.580 109.580 121.752 -12.172 RESID 204 (A): C 176.859 176.859 178.939 -2.080 RESID 204 (A): CA 54.579 54.579 54.947 -0.368 RESID 204 (A): CB 18.270 18.270 18.499 -0.229 RESID 204 (A): H 8.528 8.528 7.778 0.750 RESID 205 (Q): N 123.328 123.328 116.411 6.917 RESID 205 (Q): C 177.418 177.418 178.049 -0.631 RESID 205 (Q): CA 57.515 57.515 58.084 -0.569 RESID 205 (Q): CB 33.785 33.785 29.126 4.659 RESID 205 (Q): H 8.160 8.160 7.937 0.223 RESID 206 (T): N 120.271 120.271 114.647 5.624 RESID 206 (T): C 176.273 176.273 175.249 1.024 RESID 206 (T): CA 67.462 67.462 65.307 2.155 RESID 206 (T): CB 70.390 70.390 68.997 1.393 RESID 206 (T): H 7.585 7.585 7.907 -0.322 RESID 207 (T): N 111.970 111.970 119.207 -7.237 RESID 207 (T): C 176.566 176.566 173.634 2.932 RESID 207 (T): CA 64.534 64.534 63.922 0.612 RESID 207 (T): CB 72.733 72.733 69.206 3.527 RESID 207 (T): H 7.468 7.468 7.545 -0.077 RESID 208 (A): N 115.623 115.623 129.979 -14.356 RESID 208 (A): C 168.947 168.947 176.882 -7.935 RESID 208 (A): CA 55.164 55.164 50.824 4.340 RESID 208 (A): CB 22.369 22.369 20.653 1.716 RESID 208 (A): H 7.390 7.390 8.257 -0.867 RESID 209 (L): N 117.814 117.814 123.422 -5.608 RESID 209 (L): C 176.273 176.273 175.660 0.613 RESID 209 (L): CA 58.678 58.678 52.701 5.977 RESID 209 (L): CB 46.380 46.380 41.627 4.753 RESID 209 (L): H 7.652 7.652 8.634 -0.982 RESID 210 (P): C 176.566 176.566 175.039 1.527 RESID 210 (P): CA 63.086 63.086 63.355 -0.269 RESID 210 (P): CB 31.146 31.146 31.709 -0.563 RESID 211 (D): N 122.863 122.863 124.843 -1.980 RESID 211 (D): C 175.686 175.686 176.321 -0.635 RESID 211 (D): CA 56.343 56.343 52.483 3.860 RESID 211 (D): CB 41.402 41.402 43.211 -1.809 RESID 211 (D): H 8.360 8.360 8.564 -0.204 RESID 212 (E): N 131.162 131.162 123.653 7.509 RESID 212 (E): C 176.273 176.273 175.463 0.810 RESID 212 (E): CA 55.164 55.164 58.906 -3.742 RESID 212 (E): CB 30.568 30.568 30.922 -0.354 RESID 212 (E): H 8.399 8.399 8.710 -0.311 RESID 213 (D): N 122.797 122.797 113.288 9.509 RESID 213 (D): C 177.152 177.152 176.176 0.976 RESID 213 (D): CA 61.914 61.914 52.767 9.147 RESID 213 (D): CB 49.607 49.607 40.520 9.087 RESID 213 (D): H 8.168 8.168 8.078 0.090 RESID 214 (D): N 112.369 112.369 121.889 -9.520 RESID 214 (D): C 178.910 178.910 177.065 1.845 RESID 214 (D): CA 54.579 54.579 56.896 -2.317 RESID 214 (D): CB 39.353 39.353 40.550 -1.197 RESID 214 (D): H 7.464 7.464 8.590 -1.126 RESID 215 (D): N 127.244 127.244 119.251 7.993 RESID 215 (D): C 176.859 176.859 177.155 -0.296 RESID 215 (D): CA 54.579 54.579 55.790 -1.211 RESID 215 (D): CB 40.524 40.524 40.988 -0.464 RESID 215 (D): H 8.301 8.301 8.300 0.001 N HA C CA CB H RESID 3 (A): 4.200 ----- -2.797 -4.450 0.255 0.520 RESID 4 (Q): 1.028 ----- -0.561 -1.730 -2.195 1.013 RESID 5 (G): 14.172 ----- 8.298 0.902 ----- 0.137 RESID 6 (E): 7.660 ----- 1.675 3.780 -1.728 1.296 RESID 7 (P): ----- ----- 0.041 0.696 -0.027 ----- RESID 8 (Q): -2.759 ----- 2.593 -8.094 1.733 -2.350 RESID 9 (V): -4.664 ----- 4.244 1.875 1.765 -1.204 RESID 10 (Q): -11.050 ----- 2.006 1.113 -4.237 -0.364 RESID 11 (F): -5.836 ----- 1.576 3.180 -1.155 -0.877 RESID 12 (K): 4.891 ----- 3.024 1.567 ----- 1.114 RESID 13 (L): -14.310 ----- 2.112 1.069 -1.437 -2.235 RESID 14 (V): 4.391 ----- 1.036 9.407 -4.310 -0.311 RESID 15 (L): -2.106 ----- 2.552 2.410 ----- -1.140 RESID 16 (V): -0.443 ----- 3.844 4.733 0.576 -0.022 RESID 17 (G): 20.867 ----- 1.393 -2.252 ----- 2.902 RESID 18 (D): 3.745 ----- -0.711 2.896 4.101 -0.088 RESID 19 (G): 13.127 ----- 3.348 -3.153 ----- 0.174 RESID 20 (G): 17.662 ----- -1.630 -3.712 ----- -0.171 RESID 21 (T): 8.246 ----- -3.819 -2.659 -4.137 0.411 RESID 22 (G): 4.116 ----- 9.365 0.138 ----- -1.543 RESID 23 (K): 1.434 ----- 0.454 -1.888 7.805 -0.190 RESID 24 (T): 0.756 ----- 1.539 -4.913 3.435 -0.025 RESID 25 (T): -9.096 ----- 2.201 -2.762 3.138 0.258 RESID 26 (F): -8.740 ----- -2.319 -8.387 1.638 -0.751 RESID 27 (V): 3.659 ----- 0.422 0.478 -2.031 -1.166 RESID 28 (K): -5.918 ----- -1.566 -1.825 1.750 -0.817 RESID 29 (R): -7.452 ----- -4.829 14.128 8.774 -1.005 RESID 30 (H): 4.939 ----- -4.618 -7.839 0.944 0.233 RESID 31 (L): -6.643 ----- -0.438 -2.069 0.038 -0.111 RESID 32 (T): 15.005 ----- -4.823 1.888 4.501 0.184 RESID 33 (G): 17.869 ----- -12.082 -2.196 ----- 1.926 RESID 34 (E): 0.574 ----- -0.345 2.320 3.847 0.723 RESID 35 (F): -7.208 ----- -1.024 -7.629 1.455 -1.808 RESID 36 (E): -5.133 ----- -0.339 3.320 17.832 -0.409 RESID 37 (K): -5.418 ----- -3.570 -8.269 3.861 0.037 RESID 38 (K): -12.661 ----- 1.183 4.366 1.410 0.250 RESID 39 (Y): -15.652 ----- 0.053 2.690 -2.831 -1.347 RESID 40 (V): -9.016 ----- 0.155 -0.204 -2.865 -0.005 RESID 42 (T): -0.099 ----- 4.946 -2.134 0.535 -0.171 RESID 43 (L): -7.816 ----- -2.852 2.711 0.123 0.754 RESID 44 (G): 0.058 ----- 6.101 8.634 ----- -1.681 RESID 45 (V): -13.131 ----- 0.587 3.182 -18.038 0.117 RESID 46 (E): 1.050 ----- 2.471 0.525 -0.619 0.933 RESID 47 (V): -1.210 ----- -0.166 2.275 4.934 -0.087 RESID 48 (H): 2.027 ----- -3.723 -3.377 -5.298 1.136 RESID 49 (P): ----- ----- 0.648 -0.011 -2.304 ----- RESID 50 (L): -8.071 ----- 2.923 4.665 -3.495 -1.587 RESID 51 (V): -7.967 ----- -0.679 3.133 3.121 -0.400 RESID 52 (F): -0.233 ----- 0.427 -0.061 -3.768 -0.218 RESID 53 (H): -0.738 ----- -5.281 -0.940 -0.484 -1.017 RESID 54 (T): -3.588 ----- 2.606 4.307 1.135 -0.838 RESID 55 (N): 10.922 ----- -0.180 -4.709 -1.272 1.559 RESID 56 (R): 3.921 ----- -1.224 6.390 3.026 -0.323 RESID 57 (G): 19.070 ----- 3.749 -1.986 ----- 1.681 RESID 58 (P): ----- ----- 1.119 2.250 -2.707 ----- RESID 59 (I): 13.796 ----- 2.177 5.919 -1.354 0.003 RESID 60 (K): 2.779 ----- 4.108 19.931 -3.779 -0.500 RESID 61 (F): -4.362 ----- 0.406 0.810 0.100 -2.011 RESID 62 (N): 0.818 ----- -0.929 0.242 2.005 -0.956 RESID 63 (V): -20.979 ----- -0.200 -1.788 -1.306 -0.905 RESID 64 (W): -0.499 ----- 2.150 3.347 -0.035 -0.597 RESID 65 (D): -6.306 ----- -1.277 1.932 -1.857 -0.289 RESID 66 (T): 5.123 ----- 4.678 8.388 0.514 0.018 RESID 67 (A): -17.336 ----- -0.301 -2.617 -6.145 0.758 RESID 68 (G): 5.325 ----- 13.294 -0.807 ----- 1.950 RESID 69 (Q): 2.956 ----- -1.947 1.286 2.959 -0.290 RESID 70 (E): -5.936 ----- 0.699 0.945 -1.411 1.342 RESID 71 (K): -6.601 ----- -0.433 -7.203 4.066 0.444 RESID 72 (F): -4.796 ----- -1.307 -2.407 -2.493 -0.024 RESID 73 (G): 4.713 ----- -6.514 -2.639 ----- -0.053 RESID 74 (G): 12.846 ----- -1.847 -2.538 ----- 0.919 RESID 75 (L): 8.642 ----- 1.058 -3.199 0.980 -0.031 RESID 76 (R): -0.896 ----- 0.276 3.083 1.270 -0.322 RESID 77 (D): 8.230 ----- -0.777 -4.867 1.325 1.337 RESID 78 (G): 19.716 ----- -1.479 -2.148 ----- -0.177 RESID 79 (Y): 2.128 ----- -0.081 -0.129 2.746 1.337 RESID 80 (Y): 7.162 ----- -0.927 2.090 3.196 0.826 RESID 81 (I): 1.344 ----- 2.120 3.652 3.154 1.105 RESID 82 (Q): 1.793 ----- -1.694 3.302 3.789 -0.458 RESID 83 (A): -11.383 ----- -0.784 1.469 -3.030 -1.452 RESID 84 (Q): 0.842 ----- 1.092 3.489 3.525 -0.506 RESID 85 (C): 8.855 ----- 3.954 9.016 8.541 0.717 RESID 86 (A): -6.678 ----- ----- 6.633 -1.048 -1.777 RESID 87 (I): 0.456 ----- -0.749 0.931 -1.502 -0.310 RESID 88 (I): -7.173 ----- -1.273 4.273 -2.363 -3.434 RESID 89 (M): -5.660 ----- 3.552 4.718 -0.132 -0.472 RESID 90 (F): 2.595 ----- 2.394 5.044 -3.306 0.659 RESID 91 (D): -0.561 ----- -0.394 7.450 1.301 -1.311 RESID 92 (V): -8.405 ----- -3.268 -0.443 6.258 -0.800 RESID 93 (T): 16.798 ----- 4.112 1.125 5.030 -0.536 RESID 94 (S): 5.777 ----- -10.918 4.291 -1.941 -0.311 RESID 95 (R): -15.478 ----- -1.848 -6.171 1.038 -0.979 RESID 96 (V): 5.484 ----- 0.275 2.203 -7.232 1.019 RESID 97 (T): -4.130 ----- 2.078 -2.347 1.389 0.359 RESID 98 (Y): -7.860 ----- -1.199 ----- ----- -0.084 RESID 99 (K): 5.036 ----- -0.122 -0.723 4.106 0.277 RESID 100 (N): -4.131 ----- -0.795 -1.689 -1.154 -1.967 RESID 101 (V): -2.833 ----- -1.342 -5.723 -2.207 -0.260 RESID 102 (P): ----- ----- -0.579 -2.747 -0.190 ----- RESID 103 (N): 7.057 ----- -1.658 -0.213 1.461 0.410 RESID 104 (W): 2.552 ----- -3.275 -1.305 5.196 0.221 RESID 105 (H): 3.731 ----- 3.288 ----- ----- -1.438 RESID 106 (R): 2.856 ----- 0.341 5.310 -1.729 -0.437 RESID 107 (D): -2.487 ----- -1.828 -2.368 0.647 1.215 RESID 108 (L): -5.747 ----- -2.104 1.137 7.156 -1.179 RESID 109 (V): 7.830 ----- -2.804 -0.438 1.991 1.076 RESID 110 (R): -6.930 ----- -1.299 -1.596 0.226 -0.307 RESID 111 (V): -1.862 ----- 0.219 -4.730 0.035 0.048 RESID 112 (C): -1.791 ----- -4.999 -3.363 7.150 -0.528 RESID 113 (E): 0.335 ----- 0.918 11.193 2.393 -0.661 RESID 114 (N): 6.770 ----- 0.502 -0.731 1.298 0.504 RESID 115 (I): -10.464 ----- 1.510 7.715 -0.214 1.385 RESID 116 (P): ----- ----- 0.336 0.063 -2.856 ----- RESID 117 (I): -0.186 ----- -0.300 5.987 -3.454 -0.744 RESID 118 (V): -6.804 ----- 3.474 1.913 -3.000 0.154 RESID 119 (L): -7.534 ----- 1.955 -11.065 -4.924 -1.520 RESID 120 (C): -8.888 ----- 3.888 ----- ----- -0.829 RESID 121 (G): 4.539 ----- 4.000 -2.576 ----- -1.440 RESID 122 (N): -0.688 ----- 0.090 -2.438 -0.655 0.540 RESID 123 (K): 7.551 ----- -4.029 0.545 5.730 -0.834 RESID 124 (V): 10.521 ----- -0.880 0.183 11.236 0.950 RESID 125 (D): -0.385 ----- -0.394 -0.745 -0.466 -0.408 RESID 126 (I): -4.510 ----- 0.674 4.363 1.065 -0.015 RESID 127 (K): -4.215 ----- -1.170 -0.640 3.269 -0.339 RESID 128 (D): -1.955 ----- 1.505 0.461 0.866 -0.977 RESID 129 (R): -3.529 ----- 1.130 -10.792 -0.047 0.615 RESID 130 (K): -11.965 ----- -0.178 -0.993 2.449 -1.314 RESID 131 (V): -10.915 ----- 3.687 3.826 4.608 1.354 RESID 132 (K): -17.699 ----- -1.254 4.107 1.686 1.472 RESID 133 (A): 7.610 ----- ----- -3.753 -5.601 -2.418 RESID 134 (K): -0.410 ----- -1.307 -2.813 22.356 -1.768 RESID 135 (S): -4.380 ----- -1.711 -3.640 0.934 0.122 RESID 136 (I): 2.101 ----- -0.660 5.845 5.547 0.779 RESID 137 (V): -10.559 ----- 0.534 2.372 1.625 -0.362 RESID 138 (F): -4.850 ----- -0.912 -4.476 0.146 0.684 RESID 139 (H): 5.093 ----- -1.011 8.601 6.962 -0.826 RESID 140 (R): 0.030 ----- -1.099 -0.790 9.838 1.106 RESID 141 (K): -4.344 ----- -4.488 -0.610 1.165 0.063 RESID 142 (K): -1.068 ----- 0.305 -3.779 2.808 1.464 RESID 143 (N): -3.819 ----- 0.902 -0.706 3.805 -0.358 RESID 144 (L): 1.675 ----- ----- 0.558 -1.515 -0.254 RESID 145 (Q): 1.550 ----- 2.516 1.574 -1.155 -1.203 RESID 146 (Y): -4.640 ----- 0.418 6.662 0.183 1.182 RESID 147 (Y): -1.269 ----- 4.094 1.846 -2.297 -0.221 RESID 148 (D): -2.053 ----- 1.673 0.168 -0.691 0.609 RESID 149 (I): 1.214 ----- 0.653 1.931 -3.266 0.038 RESID 150 (S): 0.651 ----- 1.346 4.549 -3.131 -0.142 RESID 151 (A): -0.343 ----- -17.718 -0.767 3.389 1.791 RESID 152 (K): 4.478 ----- -3.507 1.099 1.995 0.809 RESID 153 (S): 23.839 ----- 2.173 3.946 1.489 1.002 RESID 154 (N): 4.231 ----- 1.351 -5.052 2.300 -1.095 RESID 155 (Y): -2.715 ----- 1.305 1.093 3.063 0.477 RESID 156 (N): 1.201 ----- -0.320 -1.322 1.940 -0.531 RESID 157 (F): 6.211 ----- -1.694 -3.395 0.918 -0.587 RESID 158 (E): -4.898 ----- -1.275 15.016 -1.225 -0.470 RESID 159 (K): -6.545 ----- 0.443 -7.805 3.485 -0.614 RESID 160 (P): ----- ----- -2.434 -1.378 1.097 ----- RESID 161 (F): 6.560 ----- -1.090 -1.776 2.689 0.738 RESID 162 (L): -9.200 ----- -2.279 -2.310 2.531 -0.431 RESID 163 (W): 2.069 ----- -0.855 0.797 -1.075 -0.904 RESID 164 (L): 0.919 ----- -3.077 3.369 4.464 1.280 RESID 165 (A): -3.387 ----- -13.819 -2.900 3.666 -0.485 RESID 166 (R): 4.570 ----- -2.806 -9.970 -0.704 0.605 RESID 167 (K): -7.647 ----- -3.050 -0.913 2.696 -0.557 RESID 168 (L): -4.739 ----- -1.329 -0.722 -0.323 -0.554 RESID 169 (I): 6.253 ----- 0.147 0.196 3.560 0.194 RESID 170 (G): 6.175 ----- -11.122 -0.871 ----- -1.229 RESID 171 (D): -8.275 ----- 3.426 0.029 -0.803 -0.896 RESID 172 (P): ----- ----- -0.283 -0.118 -0.483 ----- RESID 173 (N): -6.185 ----- 0.735 1.614 -2.782 -0.509 RESID 174 (L): -11.860 ----- 1.161 0.076 1.944 0.558 RESID 175 (E): 5.111 ----- 2.228 22.011 -5.272 0.953 RESID 176 (F): 12.243 ----- 3.234 0.511 4.790 1.327 RESID 177 (V): -4.072 ----- 2.983 3.009 0.312 -0.410 RESID 178 (A): -6.424 ----- 1.108 0.609 -3.288 -0.292 RESID 179 (M): 5.576 ----- 3.738 5.562 6.137 -0.311 RESID 180 (P): ----- ----- 1.920 1.816 -2.171 ----- RESID 181 (A): 1.446 ----- -0.929 6.536 1.272 0.414 RESID 182 (L): -1.833 ----- 1.309 0.669 1.182 0.333 RESID 183 (A): -7.927 ----- 3.712 8.145 3.965 0.149 RESID 184 (P): ----- ----- 1.640 2.331 -1.973 ----- RESID 185 (P): ----- ----- -2.044 0.723 2.530 ----- RESID 186 (E): -0.997 ----- -0.682 -0.058 5.886 -0.500 RESID 187 (V): 10.833 ----- 3.707 -0.113 2.561 0.837 RESID 188 (V): 8.221 ----- 1.333 5.733 -0.790 0.418 RESID 189 (M): 3.554 ----- 2.239 -1.243 1.835 -0.776 RESID 190 (D): -6.579 ----- 0.239 -4.873 0.937 -1.520 RESID 191 (P): ----- ----- -2.491 -1.186 -0.269 ----- RESID 192 (A): -11.535 ----- ----- -0.297 1.103 -0.700 RESID 193 (L): -0.044 ----- -0.728 1.555 0.924 0.449 RESID 194 (A): 0.726 ----- -10.992 2.288 -2.756 0.698 RESID 195 (A): 0.683 ----- -5.354 3.471 2.322 -0.417 RESID 196 (Q): -12.465 ----- -1.147 -1.058 1.508 -0.051 RESID 197 (Y): 1.147 ----- 0.067 -4.883 5.689 -0.241 RESID 198 (E): -8.529 ----- -2.513 -6.303 1.269 -0.392 RESID 199 (H): 0.029 ----- 1.684 -0.767 5.385 0.507 RESID 200 (D): 4.748 ----- -2.139 1.509 -0.778 0.311 RESID 201 (L): -3.930 ----- -0.238 3.330 -0.643 -0.418 RESID 202 (E): -1.774 ----- -2.832 -2.424 0.979 0.851 RESID 203 (V): 9.299 ----- 1.023 -2.370 -3.554 1.811 RESID 204 (A): -12.172 ----- -2.080 -0.368 -0.229 0.750 RESID 205 (Q): 6.917 ----- -0.631 -0.569 4.659 0.223 RESID 206 (T): 5.624 ----- 1.024 2.155 1.393 -0.322 RESID 207 (T): -7.237 ----- 2.932 0.612 3.527 -0.077 RESID 208 (A): -14.356 ----- -7.935 4.340 1.716 -0.867 RESID 209 (L): -5.608 ----- 0.613 5.977 4.753 -0.982 RESID 210 (P): ----- ----- 1.527 -0.269 -0.563 ----- RESID 211 (D): -1.980 ----- -0.635 3.860 -1.809 -0.204 RESID 212 (E): 7.509 ----- 0.810 -3.742 -0.354 -0.311 RESID 213 (D): 9.509 ----- 0.976 9.147 9.087 0.090 RESID 214 (D): -9.520 ----- 1.845 -2.317 -1.197 -1.126 RESID 215 (D): 7.993 ----- -0.296 -1.211 -0.464 0.001 DATA CS_STAT_INFO N RMS: 7.766 ppm Count: 201 Average Difference: 0.343 +/- 7.778 ppm DATA CS_STAT_INFO HA RMS: 0.436 ppm Count: 28 Average Difference: -0.303 +/- 0.319 ppm DATA CS_STAT_INFO C RMS: 3.451 ppm Count: 209 Average Difference: 0.108 +/- 3.457 ppm DATA CS_STAT_INFO CA RMS: 4.610 ppm Count: 210 Average Difference: -0.635 +/- 4.577 ppm DATA CS_STAT_INFO CB RMS: 4.073 ppm Count: 194 Average Difference: -1.009 +/- 3.957 ppm DATA CS_STAT_INFO HN RMS: 0.960 ppm Count: 201 Average Difference: 0.090 +/- 0.958 ppm ############################################################################ For conformer 6: Atom Original Corrected SPARTA Difference RESID 2 (A): N 131.228 131.228 123.604 7.624 RESID 2 (A): C 187.031 187.031 179.018 8.013 RESID 2 (A): CA 53.407 53.407 54.993 -1.586 RESID 2 (A): CB 20.027 20.027 18.065 1.962 RESID 2 (A): H 10.644 10.644 8.346 2.298 RESID 3 (A): N 124.521 124.521 121.051 3.470 RESID 3 (A): C 176.566 176.566 179.247 -2.681 RESID 3 (A): CA 49.894 49.894 54.271 -4.377 RESID 3 (A): CB 18.270 18.270 17.831 0.439 RESID 3 (A): H 8.669 8.669 8.281 0.388 RESID 4 (Q): N 118.080 118.080 117.191 0.889 RESID 4 (Q): C 176.273 176.273 176.896 -0.623 RESID 4 (Q): CA 54.579 54.579 55.921 -1.342 RESID 4 (Q): CB 27.054 27.054 29.004 -1.950 RESID 4 (Q): H 8.919 8.919 8.162 0.757 RESID 5 (G): N 121.002 121.002 106.372 14.630 RESID 5 (G): C 181.877 181.877 173.870 8.007 RESID 5 (G): CA 45.794 45.794 44.940 0.854 RESID 5 (G): H 8.082 8.082 7.847 0.235 RESID 6 (E): N 129.435 129.435 122.354 7.081 RESID 6 (E): C 176.566 176.566 175.579 0.987 RESID 6 (E): CA 56.336 56.336 53.017 3.319 RESID 6 (E): CB 28.811 28.811 30.429 -1.618 RESID 6 (E): H 9.267 9.267 7.905 1.362 RESID 7 (P): C 176.566 176.566 176.856 -0.290 RESID 7 (P): CA 63.672 63.672 65.109 -1.437 RESID 7 (P): CB 31.146 31.146 32.202 -1.056 RESID 8 (Q): N 112.502 112.502 113.918 -1.416 RESID 8 (Q): C 177.445 177.445 175.314 2.131 RESID 8 (Q): CA 50.479 50.479 56.174 -5.695 RESID 8 (Q): CB 28.811 28.811 31.902 -3.091 RESID 8 (Q): H 6.220 6.220 8.270 -2.050 RESID 9 (V): N 117.416 117.416 113.664 3.752 RESID 9 (V): C 178.324 178.324 173.696 4.628 RESID 9 (V): CA 63.363 63.363 59.781 3.583 RESID 9 (V): CB 34.668 34.668 34.879 -0.211 RESID 9 (V): H 6.561 6.561 7.533 -0.972 RESID 10 (Q): N 113.896 113.896 123.114 -9.218 RESID 10 (Q): C 176.273 176.273 174.309 1.964 RESID 10 (Q): CA 55.164 55.164 53.950 1.214 RESID 10 (Q): CB 28.226 28.226 32.297 -4.071 RESID 10 (Q): H 7.847 7.847 7.794 0.053 RESID 11 (F): N 118.744 118.744 124.533 -5.789 RESID 11 (F): C 176.566 176.566 174.740 1.826 RESID 11 (F): CA 59.849 59.849 56.551 3.297 RESID 11 (F): CB 41.109 41.109 42.679 -1.570 RESID 11 (F): H 8.262 8.262 9.002 -0.740 RESID 12 (K): N 129.437 129.437 125.320 4.117 RESID 12 (K): C 178.609 178.609 175.193 3.416 RESID 12 (K): CA 57.808 57.808 55.842 1.966 RESID 12 (K): H 10.015 10.015 8.799 1.216 RESID 13 (L): N 112.103 112.103 128.440 -16.337 RESID 13 (L): C 177.738 177.738 175.530 2.208 RESID 13 (L): CA 54.579 54.579 53.437 1.142 RESID 13 (L): CB 42.866 42.866 44.675 -1.808 RESID 13 (L): H 6.905 6.905 8.995 -2.090 RESID 14 (V): N 127.310 127.310 123.414 3.896 RESID 14 (V): C 175.393 175.393 174.410 0.983 RESID 14 (V): CA 70.976 70.976 61.737 9.239 RESID 14 (V): CB 28.811 28.811 33.341 -4.530 RESID 14 (V): H 8.305 8.305 8.712 -0.407 RESID 15 (L): N 128.640 128.640 131.177 -2.537 RESID 15 (L): C 177.730 177.730 174.895 2.835 RESID 15 (L): CA 55.758 55.758 53.283 2.474 RESID 15 (L): H 7.718 7.718 9.074 -1.356 RESID 16 (V): N 121.267 121.267 121.185 0.082 RESID 16 (V): C 178.324 178.324 174.529 3.795 RESID 16 (V): CA 63.363 63.363 58.433 4.930 RESID 16 (V): CB 35.839 35.839 35.039 0.800 RESID 16 (V): H 8.935 8.935 8.834 0.101 RESID 17 (G): N 127.908 127.908 107.145 20.763 RESID 17 (G): C 174.514 174.514 173.319 1.195 RESID 17 (G): CA 42.281 42.281 44.698 -2.417 RESID 17 (G): H 9.682 9.682 6.884 2.798 RESID 18 (D): N 125.054 125.054 121.368 3.686 RESID 18 (D): C 176.851 176.851 177.538 -0.687 RESID 18 (D): CA 57.515 57.515 54.423 3.092 RESID 18 (D): CB 46.090 46.090 42.060 4.030 RESID 18 (D): H 8.282 8.282 8.455 -0.173 RESID 19 (G): N 120.670 120.670 106.287 14.383 RESID 19 (G): C 178.324 178.324 174.625 3.699 RESID 19 (G): CA 42.281 42.281 45.471 -3.190 RESID 19 (G): H 8.825 8.825 8.757 0.068 RESID 20 (G): N 129.369 129.369 113.389 15.980 RESID 20 (G): C 174.221 174.221 175.963 -1.742 RESID 20 (G): CA 41.695 41.695 45.365 -3.671 RESID 20 (G): H 8.477 8.477 7.772 0.705 RESID 21 (T): N 122.199 122.199 117.934 4.265 RESID 21 (T): C 171.291 171.291 175.009 -3.718 RESID 21 (T): CA 61.914 61.914 66.623 -4.709 RESID 21 (T): CB 65.137 65.137 69.214 -4.077 RESID 21 (T): H 8.059 8.059 7.703 0.356 RESID 22 (G): N 112.369 112.369 106.407 5.962 RESID 22 (G): C 184.807 184.807 175.229 9.578 RESID 22 (G): CA 45.209 45.209 45.291 -0.082 RESID 22 (G): H 6.772 6.772 8.409 -1.637 RESID 23 (K): N 122.066 122.066 120.350 1.716 RESID 23 (K): C 178.589 178.589 177.949 0.640 RESID 23 (K): CA 58.101 58.101 59.101 -1.000 RESID 23 (K): CB 40.230 40.230 31.952 8.278 RESID 23 (K): H 7.441 7.441 8.393 -0.952 RESID 24 (T): N 114.627 114.627 115.084 -0.457 RESID 24 (T): C 178.324 178.324 176.667 1.657 RESID 24 (T): CA 62.192 62.192 67.159 -4.968 RESID 24 (T): CB 71.562 71.562 68.123 3.439 RESID 24 (T): H 8.469 8.469 8.508 -0.039 RESID 25 (T): N 110.377 110.377 119.254 -8.877 RESID 25 (T): C 178.324 178.324 176.156 2.168 RESID 25 (T): CA 64.534 64.534 67.572 -3.038 RESID 25 (T): CB 71.562 71.562 68.483 3.079 RESID 25 (T): H 8.415 8.415 8.150 0.265 RESID 26 (F): N 114.295 114.295 123.159 -8.864 RESID 26 (F): C 174.514 174.514 177.088 -2.574 RESID 26 (F): CA 53.407 53.407 62.114 -8.707 RESID 26 (F): CB 40.524 40.524 38.953 1.571 RESID 26 (F): H 7.707 7.707 8.543 -0.836 RESID 27 (V): N 123.525 123.525 121.149 2.376 RESID 27 (V): C 178.031 178.031 177.871 0.160 RESID 27 (V): CA 67.462 67.462 66.898 0.564 RESID 27 (V): CB 29.397 29.397 31.631 -2.234 RESID 27 (V): H 6.967 6.967 8.374 -1.407 RESID 28 (K): N 114.228 114.228 119.698 -5.470 RESID 28 (K): C 176.566 176.566 178.605 -2.039 RESID 28 (K): CA 58.092 58.092 59.965 -1.873 RESID 28 (K): CB 34.082 34.082 31.981 2.101 RESID 28 (K): H 7.429 7.429 8.240 -0.811 RESID 29 (R): N 112.037 112.037 119.967 -7.930 RESID 29 (R): C 174.221 174.221 179.241 -5.020 RESID 29 (R): CA 72.147 72.147 59.107 13.040 RESID 29 (R): CB 37.596 37.596 29.890 7.706 RESID 29 (R): H 6.803 6.803 8.159 -1.356 RESID 30 (H): N 122.396 122.396 117.768 4.628 RESID 30 (H): C 172.170 172.170 177.088 -4.918 RESID 30 (H): CA 51.651 51.651 59.379 -7.728 RESID 30 (H): CB 30.568 30.568 29.458 1.110 RESID 30 (H): H 7.644 7.644 7.880 -0.236 RESID 31 (L): N 110.377 110.377 117.938 -7.561 RESID 31 (L): C 178.031 178.031 178.492 -0.461 RESID 31 (L): CA 55.164 55.164 57.257 -2.093 RESID 31 (L): CB 42.281 42.281 42.272 0.009 RESID 31 (L): H 7.894 7.894 8.134 -0.240 RESID 32 (T): N 121.468 121.468 105.909 15.559 RESID 32 (T): C 170.705 170.705 175.502 -4.797 RESID 32 (T): CA 63.668 63.668 61.812 1.856 RESID 32 (T): CB 75.679 75.679 70.783 4.896 RESID 32 (T): H 8.372 8.372 8.223 0.149 RESID 33 (G): N 127.841 127.841 110.084 17.757 RESID 33 (G): C 161.914 161.914 173.984 -12.070 RESID 33 (G): CA 42.866 42.866 44.788 -1.922 RESID 33 (G): H 9.662 9.662 7.708 1.954 RESID 34 (E): N 120.871 120.871 120.250 0.621 RESID 34 (E): C 174.508 174.508 174.997 -0.489 RESID 34 (E): CA 58.101 58.101 55.824 2.277 RESID 34 (E): CB 34.371 34.371 30.677 3.694 RESID 34 (E): H 8.211 8.211 7.417 0.794 RESID 35 (F): N 111.838 111.838 119.377 -7.539 RESID 35 (F): C 174.221 174.221 175.235 -1.014 RESID 35 (F): CA 49.308 49.308 57.031 -7.723 RESID 35 (F): CB 41.695 41.695 40.895 0.800 RESID 35 (F): H 6.772 6.772 8.271 -1.499 RESID 36 (E): N 120.672 120.672 125.311 -4.639 RESID 36 (E): C 175.686 175.686 176.231 -0.545 RESID 36 (E): CA 58.980 58.980 54.831 4.149 RESID 36 (E): CB 48.140 48.140 30.512 17.628 RESID 36 (E): H 8.293 8.293 8.783 -0.490 RESID 37 (K): N 118.810 118.810 126.265 -7.455 RESID 37 (K): C 172.756 172.756 177.035 -4.279 RESID 37 (K): CA 48.137 48.137 58.165 -10.028 RESID 37 (K): CB 37.010 37.010 32.894 4.116 RESID 37 (K): H 8.509 8.509 8.601 -0.092 RESID 38 (K): N 108.052 108.052 119.904 -11.852 RESID 38 (K): C 176.273 176.273 175.750 0.523 RESID 38 (K): CA 59.849 59.849 56.186 3.663 RESID 38 (K): CB 34.668 34.668 33.005 1.663 RESID 38 (K): H 7.715 7.715 8.000 -0.285 RESID 39 (Y): N 108.650 108.650 124.655 -16.005 RESID 39 (Y): C 175.686 175.686 175.031 0.655 RESID 39 (Y): CA 61.020 61.020 57.836 3.184 RESID 39 (Y): CB 36.424 36.424 39.147 -2.723 RESID 39 (Y): H 7.362 7.362 8.452 -1.090 RESID 40 (V): N 117.947 117.947 127.743 -9.796 RESID 40 (V): C 175.393 175.393 174.550 0.843 RESID 40 (V): CA 61.020 61.020 60.326 0.694 RESID 40 (V): CB 31.154 31.154 34.448 -3.294 RESID 40 (V): H 8.442 8.442 7.845 0.597 RESID 42 (T): N 117.150 117.150 119.288 -2.138 RESID 42 (T): C 178.910 178.910 173.691 5.219 RESID 42 (T): CA 60.435 60.435 62.480 -2.045 RESID 42 (T): CB 70.390 70.390 69.607 0.783 RESID 42 (T): H 8.192 8.192 8.452 -0.260 RESID 43 (L): N 119.209 119.209 127.859 -8.650 RESID 43 (L): C 174.807 174.807 177.321 -2.514 RESID 43 (L): CA 57.507 57.507 54.550 2.957 RESID 43 (L): CB 42.866 42.866 42.950 -0.083 RESID 43 (L): H 9.260 9.260 8.495 0.765 RESID 44 (G): N 114.361 114.361 112.800 1.561 RESID 44 (G): C 178.910 178.910 172.725 6.185 RESID 44 (G): CA 54.579 54.579 45.836 8.743 RESID 44 (G): H 6.979 6.979 8.615 -1.636 RESID 45 (V): N 110.244 110.244 122.635 -12.391 RESID 45 (V): C 174.807 174.807 175.145 -0.338 RESID 45 (V): CA 63.363 63.363 60.731 2.632 RESID 45 (V): CB 17.099 17.099 34.642 -17.543 RESID 45 (V): H 8.309 8.309 7.978 0.331 RESID 46 (E): N 130.365 130.365 127.476 2.889 RESID 46 (E): C 176.859 176.859 174.501 2.358 RESID 46 (E): CA 55.164 55.164 53.788 1.376 RESID 46 (E): CB 32.325 32.325 31.892 0.433 RESID 46 (E): H 9.741 9.741 8.903 0.838 RESID 47 (V): N 125.254 125.254 125.261 -0.007 RESID 47 (V): C 175.661 175.661 175.819 -0.158 RESID 47 (V): CA 63.375 63.375 61.311 2.064 RESID 47 (V): CB 37.300 37.300 32.507 4.793 RESID 47 (V): H 8.250 8.250 8.251 -0.001 RESID 48 (H): N 129.236 129.236 127.515 1.721 RESID 48 (H): C 169.240 169.240 173.257 -4.017 RESID 48 (H): CA 49.894 49.894 53.573 -3.679 RESID 48 (H): CB 27.640 27.640 32.083 -4.443 RESID 48 (H): H 10.390 10.390 9.264 1.126 RESID 49 (P): C 176.273 176.273 175.915 0.358 RESID 49 (P): CA 62.500 62.500 62.683 -0.183 RESID 49 (P): CB 29.974 29.974 32.589 -2.615 RESID 50 (L): N 119.408 119.408 126.975 -7.567 RESID 50 (L): C 177.445 177.445 175.568 1.877 RESID 50 (L): CA 59.264 59.264 54.228 5.036 RESID 50 (L): CB 42.281 42.281 45.369 -3.088 RESID 50 (L): H 7.492 7.492 9.045 -1.553 RESID 51 (V): N 117.947 117.947 122.931 -4.984 RESID 51 (V): C 174.514 174.514 175.236 -0.722 RESID 51 (V): CA 64.534 64.534 61.529 3.005 RESID 51 (V): CB 37.010 37.010 33.127 3.883 RESID 51 (V): H 7.715 7.715 8.277 -0.562 RESID 52 (F): N 124.853 124.853 126.811 -1.958 RESID 52 (F): C 175.100 175.100 174.398 0.702 RESID 52 (F): CA 56.336 56.336 56.697 -0.361 RESID 52 (F): CB 39.938 39.938 42.392 -2.454 RESID 52 (F): H 8.935 8.935 9.302 -0.367 RESID 53 (H): N 120.603 120.603 123.169 -2.566 RESID 53 (H): C 170.119 170.119 175.087 -4.968 RESID 53 (H): CA 55.164 55.164 55.555 -0.391 RESID 53 (H): CB 30.568 30.568 30.919 -0.351 RESID 53 (H): H 8.356 8.356 9.292 -0.936 RESID 54 (T): N 112.634 112.634 116.384 -3.750 RESID 54 (T): C 178.910 178.910 176.323 2.587 RESID 54 (T): CA 63.363 63.363 59.424 3.939 RESID 54 (T): CB 72.733 72.733 71.600 1.133 RESID 54 (T): H 7.574 7.574 8.458 -0.884 RESID 55 (N): N 131.095 131.095 120.385 10.710 RESID 55 (N): C 176.273 176.273 176.542 -0.269 RESID 55 (N): CA 51.065 51.065 55.888 -4.823 RESID 55 (N): CB 37.010 37.010 38.365 -1.355 RESID 55 (N): H 10.187 10.187 8.624 1.563 RESID 56 (R): N 122.064 122.064 118.938 3.126 RESID 56 (R): C 175.100 175.100 176.058 -0.958 RESID 56 (R): CA 61.606 61.606 55.858 5.748 RESID 56 (R): CB 32.911 32.911 30.426 2.485 RESID 56 (R): H 7.433 7.433 7.934 -0.501 RESID 57 (G): N 127.709 127.709 107.892 19.817 RESID 57 (G): C 175.979 175.979 172.186 3.793 RESID 57 (G): CA 42.281 42.281 44.230 -1.949 RESID 57 (G): H 9.373 9.373 7.726 1.647 RESID 58 (P): C 177.152 177.152 175.782 1.370 RESID 58 (P): CA 65.137 65.137 63.015 2.122 RESID 58 (P): CB 29.095 29.095 32.292 -3.197 RESID 59 (I): N 128.638 128.638 121.370 7.268 RESID 59 (I): C 175.979 175.979 174.091 1.888 RESID 59 (I): CA 65.120 65.120 60.225 4.895 RESID 59 (I): CB 40.524 40.524 42.458 -1.934 RESID 59 (I): H 8.794 8.794 8.949 -0.155 RESID 60 (K): N 127.711 127.711 125.461 2.250 RESID 60 (K): C 178.902 178.902 174.781 4.121 RESID 60 (K): CA 74.293 74.293 54.319 19.974 RESID 60 (K): CB 32.027 32.027 35.885 -3.858 RESID 60 (K): H 8.024 8.024 8.607 -0.583 RESID 61 (F): N 120.670 120.670 125.648 -4.978 RESID 61 (F): C 175.393 175.393 175.257 0.136 RESID 61 (F): CA 57.507 57.507 56.489 1.018 RESID 61 (F): CB 41.109 41.109 41.016 0.093 RESID 61 (F): H 7.515 7.515 9.583 -2.068 RESID 62 (N): N 124.789 124.789 124.228 0.561 RESID 62 (N): C 173.336 173.336 174.623 -1.287 RESID 62 (N): CA 53.121 53.121 52.690 0.431 RESID 62 (N): CB 41.695 41.695 38.974 2.721 RESID 62 (N): H 8.325 8.325 9.202 -0.877 RESID 63 (V): N 106.127 106.127 125.345 -19.218 RESID 63 (V): C 175.100 175.100 175.469 -0.369 RESID 63 (V): CA 61.020 61.020 62.695 -1.675 RESID 63 (V): CB 31.154 31.154 32.905 -1.751 RESID 63 (V): H 8.113 8.113 9.029 -0.916 RESID 64 (W): N 129.302 129.302 129.639 -0.337 RESID 64 (W): C 177.152 177.152 175.397 1.755 RESID 64 (W): CA 59.264 59.264 54.517 4.747 RESID 64 (W): CB 29.397 29.397 29.646 -0.249 RESID 64 (W): H 8.970 8.970 9.533 -0.563 RESID 65 (D): N 119.607 119.607 126.196 -6.589 RESID 65 (D): C 174.514 174.514 175.775 -1.261 RESID 65 (D): CA 55.164 55.164 53.184 1.980 RESID 65 (D): CB 41.109 41.109 43.020 -1.911 RESID 65 (D): H 8.638 8.638 9.183 -0.545 RESID 66 (T): N 122.463 122.463 118.106 4.357 RESID 66 (T): C 178.617 178.617 174.383 4.234 RESID 66 (T): CA 68.048 68.048 59.808 8.240 RESID 66 (T): CB 71.562 71.562 71.080 0.482 RESID 66 (T): H 8.293 8.293 8.360 -0.067 RESID 67 (A): N 104.865 104.865 122.675 -17.810 RESID 67 (A): C 177.738 177.738 178.002 -0.264 RESID 67 (A): CA 48.722 48.722 51.370 -2.648 RESID 67 (A): CB 14.171 14.171 19.952 -5.781 RESID 67 (A): H 8.657 8.657 7.956 0.701 RESID 68 (G): N 115.357 115.357 110.092 5.265 RESID 68 (G): C 189.533 189.533 176.003 13.530 RESID 68 (G): CA 45.209 45.209 46.194 -0.985 RESID 68 (G): H 10.969 10.969 9.025 1.944 RESID 69 (Q): N 122.730 122.730 119.899 2.831 RESID 69 (Q): C 174.508 174.508 176.314 -1.806 RESID 69 (Q): CA 58.394 58.394 57.580 0.814 RESID 69 (Q): CB 31.441 31.441 28.785 2.656 RESID 69 (Q): H 8.336 8.336 8.547 -0.211 RESID 70 (E): N 114.826 114.826 120.172 -5.346 RESID 70 (E): C 176.273 176.273 175.671 0.602 RESID 70 (E): CA 57.507 57.507 56.506 1.001 RESID 70 (E): CB 28.811 28.811 30.339 -1.528 RESID 70 (E): H 9.651 9.651 8.293 1.358 RESID 71 (K): N 116.685 116.685 122.693 -6.008 RESID 71 (K): C 175.979 175.979 176.106 -0.127 RESID 71 (K): CA 48.722 48.722 56.136 -7.414 RESID 71 (K): CB 37.010 37.010 32.935 4.075 RESID 71 (K): H 8.712 8.712 8.297 0.415 RESID 72 (F): N 114.959 114.959 120.243 -5.284 RESID 72 (F): C 175.686 175.686 176.548 -0.862 RESID 72 (F): CA 56.336 56.336 58.575 -2.239 RESID 72 (F): CB 36.424 36.424 39.028 -2.604 RESID 72 (F): H 7.965 7.965 8.130 -0.165 RESID 73 (G): N 117.084 117.084 111.016 6.068 RESID 73 (G): C 168.068 168.068 174.655 -6.587 RESID 73 (G): CA 42.281 42.281 44.776 -2.495 RESID 73 (G): H 7.609 7.609 7.861 -0.252 RESID 74 (G): N 120.537 120.537 108.301 12.236 RESID 74 (G): C 174.514 174.514 176.545 -2.031 RESID 74 (G): CA 44.037 44.037 46.446 -2.409 RESID 74 (G): H 9.326 9.326 8.731 0.595 RESID 75 (L): N 127.177 127.177 121.912 5.265 RESID 75 (L): C 178.617 178.617 177.698 0.919 RESID 75 (L): CA 53.407 53.407 56.911 -3.504 RESID 75 (L): CB 42.281 42.281 41.922 0.359 RESID 75 (L): H 7.628 7.628 7.745 -0.117 RESID 76 (R): N 116.486 116.486 116.129 0.357 RESID 76 (R): C 176.859 176.859 176.988 -0.129 RESID 76 (R): CA 59.264 59.264 55.976 3.288 RESID 76 (R): CB 31.154 31.154 29.506 1.648 RESID 76 (R): H 7.143 7.143 7.535 -0.392 RESID 77 (D): N 129.236 129.236 120.277 8.959 RESID 77 (D): C 177.152 177.152 177.978 -0.826 RESID 77 (D): CA 52.822 52.822 57.562 -4.740 RESID 77 (D): CB 41.695 41.695 40.295 1.400 RESID 77 (D): H 8.947 8.947 7.540 1.407 RESID 78 (G): N 127.244 127.244 107.264 19.980 RESID 78 (G): C 173.928 173.928 176.504 -2.576 RESID 78 (G): CA 44.623 44.623 47.113 -2.490 RESID 78 (G): H 8.219 8.219 8.450 -0.231 RESID 79 (Y): N 120.537 120.537 119.246 1.291 RESID 79 (Y): C 176.273 176.273 177.661 -1.388 RESID 79 (Y): CA 58.678 58.678 58.877 -0.199 RESID 79 (Y): CB 40.524 40.524 38.042 2.482 RESID 79 (Y): H 8.563 8.563 7.477 1.086 RESID 80 (Y): N 122.132 122.132 118.310 3.822 RESID 80 (Y): C 175.979 175.979 175.664 0.315 RESID 80 (Y): CA 62.203 62.203 59.040 3.163 RESID 80 (Y): CB 41.988 41.988 39.385 2.603 RESID 80 (Y): H 8.254 8.254 7.659 0.595 RESID 81 (I): N 120.072 120.072 120.881 -0.809 RESID 81 (I): C 177.445 177.445 175.947 1.498 RESID 81 (I): CA 67.462 67.462 63.494 3.968 RESID 81 (I): CB 41.109 41.109 37.959 3.150 RESID 81 (I): H 8.837 8.837 7.940 0.897 RESID 82 (Q): N 121.601 121.601 121.004 0.597 RESID 82 (Q): C 173.342 173.342 174.334 -0.992 RESID 82 (Q): CA 59.859 59.859 56.746 3.113 RESID 82 (Q): CB 30.855 30.855 26.281 4.574 RESID 82 (Q): H 8.184 8.184 9.017 -0.833 RESID 83 (A): N 109.713 109.713 119.991 -10.278 RESID 83 (A): C 175.979 175.979 177.177 -1.198 RESID 83 (A): CA 54.579 54.579 52.369 2.210 RESID 83 (A): CB 16.513 16.513 19.080 -2.567 RESID 83 (A): H 6.306 6.306 7.349 -1.043 RESID 84 (Q): N 121.203 121.203 121.053 0.150 RESID 84 (Q): C 177.144 177.144 176.087 1.057 RESID 84 (Q): CA 60.152 60.152 56.725 3.427 RESID 84 (Q): CB 34.957 34.957 30.288 4.669 RESID 84 (Q): H 8.180 8.180 8.610 -0.430 RESID 85 (C): N 120.605 120.605 114.604 6.001 RESID 85 (C): C 176.566 176.566 172.652 3.914 RESID 85 (C): CA 65.430 65.430 57.375 8.055 RESID 85 (C): CB 39.644 39.644 31.895 7.750 RESID 85 (C): H 8.364 8.364 7.766 0.598 RESID 86 (A): N 114.295 114.295 122.462 -8.167 RESID 86 (A): CA 57.507 57.507 50.385 7.122 RESID 86 (A): CB 21.784 21.784 22.950 -1.166 RESID 86 (A): H 6.897 6.897 8.897 -2.000 RESID 87 (I): N 120.670 120.670 120.827 -0.157 RESID 87 (I): C 173.928 173.928 174.632 -0.704 RESID 87 (I): CA 61.020 61.020 60.062 0.958 RESID 87 (I): CB 39.938 39.938 41.022 -1.084 RESID 87 (I): H 8.282 8.282 8.693 -0.411 RESID 88 (I): N 120.205 120.205 127.545 -7.340 RESID 88 (I): C 173.635 173.635 174.857 -1.222 RESID 88 (I): CA 64.534 64.534 60.203 4.331 RESID 88 (I): CB 37.596 37.596 39.863 -2.267 RESID 88 (I): H 5.528 5.528 8.991 -3.463 RESID 89 (M): N 120.472 120.472 125.956 -5.484 RESID 89 (M): C 178.617 178.617 175.868 2.749 RESID 89 (M): CA 58.980 58.980 54.281 4.699 RESID 89 (M): CB 34.957 34.957 34.928 0.028 RESID 89 (M): H 8.176 8.176 8.591 -0.415 RESID 90 (F): N 121.134 121.134 119.082 2.052 RESID 90 (F): C 175.393 175.393 173.300 2.093 RESID 90 (F): CA 60.435 60.435 55.732 4.703 RESID 90 (F): CB 38.767 38.767 42.481 -3.714 RESID 90 (F): H 9.334 9.334 8.847 0.487 RESID 91 (D): N 120.273 120.273 121.324 -1.051 RESID 91 (D): C 177.730 177.730 177.977 -0.247 RESID 91 (D): CA 59.859 59.859 52.255 7.604 RESID 91 (D): CB 44.039 44.039 42.625 1.414 RESID 91 (D): H 7.597 7.597 8.839 -1.242 RESID 92 (V): N 115.158 115.158 123.627 -8.469 RESID 92 (V): C 173.342 173.342 176.610 -3.268 RESID 92 (V): CA 64.534 64.534 65.024 -0.490 RESID 92 (V): CB 37.596 37.596 31.352 6.244 RESID 92 (V): H 7.738 7.738 8.494 -0.756 RESID 93 (T): N 127.179 127.179 110.205 16.974 RESID 93 (T): C 178.902 178.902 174.081 4.821 RESID 93 (T): CA 64.254 64.254 62.942 1.312 RESID 93 (T): CB 74.215 74.215 68.968 5.247 RESID 93 (T): H 7.636 7.636 8.298 -0.662 RESID 94 (S): N 122.263 122.263 115.657 6.606 RESID 94 (S): C 163.965 163.965 175.226 -11.261 RESID 94 (S): CA 59.849 59.849 55.252 4.597 RESID 94 (S): CB 62.192 62.192 64.387 -2.195 RESID 94 (S): H 7.628 7.628 7.828 -0.200 RESID 95 (R): N 113.099 113.099 128.161 -15.062 RESID 95 (R): C 176.273 176.273 177.976 -1.703 RESID 95 (R): CA 53.407 53.407 59.571 -6.164 RESID 95 (R): CB 31.154 31.154 30.104 1.050 RESID 95 (R): H 8.102 8.102 9.033 -0.931 RESID 96 (V): N 124.787 124.787 119.422 5.365 RESID 96 (V): C 178.031 178.031 177.775 0.256 RESID 96 (V): CA 68.634 68.634 66.464 2.170 RESID 96 (V): CB 24.126 24.126 31.354 -7.228 RESID 96 (V): H 9.146 9.146 8.051 1.095 RESID 97 (T): N 111.970 111.970 116.367 -4.397 RESID 97 (T): C 178.031 178.031 176.288 1.743 RESID 97 (T): CA 63.949 63.949 66.421 -2.472 RESID 97 (T): CB 70.390 70.390 68.982 1.408 RESID 97 (T): H 7.984 7.984 7.669 0.315 RESID 98 (Y): N 113.232 113.232 121.481 -8.249 RESID 98 (Y): C 176.273 176.273 177.681 -1.408 RESID 98 (Y): H 7.605 7.605 7.836 -0.231 RESID 99 (K): N 123.726 123.726 118.693 5.033 RESID 99 (K): C 178.316 178.316 178.542 -0.226 RESID 99 (K): CA 58.691 58.691 59.430 -0.739 RESID 99 (K): CB 36.127 36.127 32.041 4.087 RESID 99 (K): H 8.360 8.360 8.102 0.258 RESID 100 (N): N 111.970 111.970 116.310 -4.340 RESID 100 (N): C 175.979 175.979 176.774 -0.795 RESID 100 (N): CA 53.407 53.407 55.185 -1.778 RESID 100 (N): CB 37.596 37.596 38.695 -1.099 RESID 100 (N): H 5.778 5.778 7.725 -1.947 RESID 101 (V): N 118.877 118.877 121.589 -2.712 RESID 101 (V): C 173.635 173.635 174.968 -1.333 RESID 101 (V): CA 62.777 62.777 68.422 -5.645 RESID 101 (V): CB 27.054 27.054 29.235 -2.182 RESID 101 (V): H 7.370 7.370 7.512 -0.142 RESID 102 (P): C 176.566 176.566 176.859 -0.293 RESID 102 (P): CA 62.500 62.500 65.198 -2.698 RESID 102 (P): CB 30.853 30.853 31.172 -0.319 RESID 103 (N): N 122.728 122.728 114.891 7.837 RESID 103 (N): C 175.100 175.100 177.001 -1.901 RESID 103 (N): CA 54.579 54.579 54.470 0.109 RESID 103 (N): CB 38.767 38.767 37.217 1.550 RESID 103 (N): H 7.879 7.879 7.302 0.577 RESID 104 (W): N 122.730 122.730 120.192 2.538 RESID 104 (W): C 174.215 174.215 177.709 -3.494 RESID 104 (W): CA 59.273 59.273 60.395 -1.122 RESID 104 (W): CB 35.250 35.250 30.006 5.245 RESID 104 (W): H 7.902 7.902 7.738 0.164 RESID 105 (H): N 120.869 120.869 116.845 4.024 RESID 105 (H): C 177.738 177.738 174.475 3.263 RESID 105 (H): H 6.971 6.971 8.426 -1.455 RESID 106 (R): N 126.314 126.314 122.284 4.030 RESID 106 (R): C 176.566 176.566 176.484 0.082 RESID 106 (R): CA 62.777 62.777 57.550 5.227 RESID 106 (R): CB 29.397 29.397 31.408 -2.011 RESID 106 (R): H 7.507 7.507 7.773 -0.266 RESID 107 (D): N 119.076 119.076 121.759 -2.683 RESID 107 (D): C 176.566 176.566 178.477 -1.911 RESID 107 (D): CA 55.164 55.164 57.718 -2.554 RESID 107 (D): CB 41.695 41.695 40.956 0.739 RESID 107 (D): H 9.076 9.076 7.887 1.189 RESID 108 (L): N 113.299 113.299 119.942 -6.643 RESID 108 (L): C 176.273 176.273 178.376 -2.103 RESID 108 (L): CA 59.264 59.264 58.243 1.021 RESID 108 (L): CB 48.722 48.722 41.362 7.360 RESID 108 (L): H 6.725 6.725 7.865 -1.140 RESID 109 (V): N 121.267 121.267 118.799 2.468 RESID 109 (V): C 175.393 175.393 178.622 -3.229 RESID 109 (V): CA 63.949 63.949 66.328 -2.379 RESID 109 (V): CB 32.911 32.911 31.171 1.740 RESID 109 (V): H 8.763 8.763 7.783 0.980 RESID 110 (R): N 112.900 112.900 119.828 -6.928 RESID 110 (R): C 176.273 176.273 178.425 -2.152 RESID 110 (R): CA 57.507 57.507 59.530 -2.023 RESID 110 (R): CB 30.568 30.568 30.080 0.488 RESID 110 (R): H 7.241 7.241 7.896 -0.655 RESID 111 (V): N 115.556 115.556 117.877 -2.321 RESID 111 (V): C 177.445 177.445 177.042 0.403 RESID 111 (V): CA 59.849 59.849 65.868 -6.019 RESID 111 (V): CB 32.911 32.911 32.575 0.336 RESID 111 (V): H 7.566 7.566 7.741 -0.175 RESID 112 (C): N 114.295 114.295 115.135 -0.840 RESID 112 (C): C 169.826 169.826 174.425 -4.599 RESID 112 (C): CA 57.507 57.507 58.686 -1.179 RESID 112 (C): CB 35.839 35.839 28.820 7.019 RESID 112 (C): H 7.425 7.425 8.247 -0.822 RESID 113 (E): N 116.486 116.486 117.932 -1.446 RESID 113 (E): C 176.566 176.566 175.670 0.896 RESID 113 (E): CA 69.219 69.219 58.341 10.878 RESID 113 (E): CB 30.568 30.568 28.296 2.272 RESID 113 (E): H 7.241 7.241 8.249 -1.008 RESID 114 (N): N 129.302 129.302 121.698 7.604 RESID 114 (N): C 175.100 175.100 174.606 0.494 RESID 114 (N): CA 52.236 52.236 52.776 -0.540 RESID 114 (N): CB 39.938 39.938 38.252 1.686 RESID 114 (N): H 8.919 8.919 8.277 0.642 RESID 115 (I): N 110.443 110.443 121.189 -10.746 RESID 115 (I): C 175.100 175.100 173.245 1.855 RESID 115 (I): CA 65.705 65.705 57.887 7.818 RESID 115 (I): CB 39.353 39.353 39.705 -0.352 RESID 115 (I): H 9.287 9.287 8.001 1.286 RESID 116 (P): C 175.979 175.979 175.638 0.341 RESID 116 (P): CA 63.086 63.086 63.226 -0.140 RESID 116 (P): CB 29.681 29.681 32.179 -2.498 RESID 117 (I): N 123.591 123.591 124.384 -0.793 RESID 117 (I): C 174.807 174.807 174.919 -0.112 RESID 117 (I): CA 66.291 66.291 60.330 5.962 RESID 117 (I): CB 38.767 38.767 42.256 -3.489 RESID 117 (I): H 7.781 7.781 8.551 -0.770 RESID 118 (V): N 119.009 119.009 125.733 -6.724 RESID 118 (V): C 178.324 178.324 174.704 3.620 RESID 118 (V): CA 62.777 62.777 60.681 2.096 RESID 118 (V): CB 31.154 31.154 33.948 -2.794 RESID 118 (V): H 8.767 8.767 8.748 0.019 RESID 119 (L): N 119.408 119.408 126.785 -7.377 RESID 119 (L): C 178.031 178.031 176.057 1.974 RESID 119 (L): CA 42.866 42.866 53.726 -10.860 RESID 119 (L): CB 38.767 38.767 43.648 -4.881 RESID 119 (L): H 7.734 7.734 9.112 -1.378 RESID 120 (C): N 113.232 113.232 122.338 -9.106 RESID 120 (C): C 178.031 178.031 174.292 3.739 RESID 120 (C): H 8.317 8.317 9.100 -0.783 RESID 121 (G): N 117.349 117.349 113.219 4.130 RESID 121 (G): C 176.851 176.851 172.502 4.349 RESID 121 (G): CA 41.109 41.109 43.692 -2.583 RESID 121 (G): H 7.515 7.515 8.894 -1.379 RESID 122 (N): N 125.318 125.318 124.594 0.724 RESID 122 (N): C 175.686 175.686 175.541 0.145 RESID 122 (N): CA 50.479 50.479 51.605 -1.126 RESID 122 (N): CB 39.353 39.353 41.124 -1.771 RESID 122 (N): H 9.162 9.162 8.549 0.613 RESID 123 (K): N 122.132 122.132 115.474 6.658 RESID 123 (K): C 173.043 173.043 176.846 -3.803 RESID 123 (K): CA 58.101 58.101 57.637 0.464 RESID 123 (K): CB 35.543 35.543 29.858 5.684 RESID 123 (K): H 7.953 7.953 8.725 -0.772 RESID 124 (V): N 123.726 123.726 113.292 10.434 RESID 124 (V): C 175.679 175.679 176.655 -0.976 RESID 124 (V): CA 64.840 64.840 64.967 -0.127 RESID 124 (V): CB 42.574 42.574 31.490 11.084 RESID 124 (V): H 8.555 8.555 7.546 1.009 RESID 125 (D): N 119.607 119.607 120.205 -0.598 RESID 125 (D): C 176.566 176.566 177.027 -0.461 RESID 125 (D): CA 55.750 55.750 56.526 -0.776 RESID 125 (D): CB 40.524 40.524 40.962 -0.438 RESID 125 (D): H 7.875 7.875 8.312 -0.437 RESID 126 (I): N 116.088 116.088 120.971 -4.883 RESID 126 (I): C 177.152 177.152 177.056 0.096 RESID 126 (I): CA 66.291 66.291 61.853 4.438 RESID 126 (I): CB 39.353 39.353 38.195 1.158 RESID 126 (I): H 7.511 7.511 7.463 0.048 RESID 127 (K): N 121.203 121.203 126.706 -5.503 RESID 127 (K): C 175.979 175.979 176.904 -0.925 RESID 127 (K): CA 58.101 58.101 58.963 -0.862 RESID 127 (K): CB 35.834 35.834 32.492 3.342 RESID 127 (K): H 8.113 8.113 8.598 -0.485 RESID 128 (D): N 118.279 118.279 120.355 -2.076 RESID 128 (D): C 176.566 176.566 174.956 1.610 RESID 128 (D): CA 53.407 53.407 53.061 0.346 RESID 128 (D): CB 40.524 40.524 39.648 0.876 RESID 128 (D): H 7.241 7.241 8.204 -0.963 RESID 129 (R): N 118.943 118.943 123.056 -4.113 RESID 129 (R): C 177.738 177.738 176.406 1.332 RESID 129 (R): CA 45.794 45.794 56.390 -10.596 RESID 129 (R): CB 31.154 31.154 30.875 0.279 RESID 129 (R): H 8.423 8.423 7.823 0.600 RESID 130 (K): N 109.381 109.381 122.342 -12.961 RESID 130 (K): C 176.566 176.566 176.598 -0.032 RESID 130 (K): CA 55.164 55.164 57.391 -2.227 RESID 130 (K): CB 36.424 36.424 33.726 2.698 RESID 130 (K): H 7.296 7.296 8.336 -1.040 RESID 131 (V): N 110.377 110.377 120.561 -10.184 RESID 131 (V): C 178.617 178.617 175.007 3.610 RESID 131 (V): CA 65.705 65.705 62.011 3.694 RESID 131 (V): CB 35.839 35.839 31.365 4.474 RESID 131 (V): H 9.283 9.283 7.994 1.289 RESID 132 (K): N 110.310 110.310 127.678 -17.368 RESID 132 (K): C 176.273 176.273 177.413 -1.140 RESID 132 (K): CA 59.849 59.849 55.197 4.652 RESID 132 (K): CB 35.253 35.253 34.164 1.089 RESID 132 (K): H 9.709 9.709 8.213 1.496 RESID 133 (A): N 134.349 134.349 126.992 7.357 RESID 133 (A): CA 51.065 51.065 54.793 -3.728 RESID 133 (A): CB 12.999 12.999 18.437 -5.438 RESID 133 (A): H 6.322 6.322 8.801 -2.479 RESID 134 (K): N 117.615 117.615 118.017 -0.402 RESID 134 (K): C 176.859 176.859 178.329 -1.470 RESID 134 (K): CA 55.750 55.750 58.792 -3.042 RESID 134 (K): CB 54.579 54.579 32.316 22.262 RESID 134 (K): H 6.549 6.549 8.232 -1.683 RESID 135 (S): N 109.314 109.314 114.596 -5.282 RESID 135 (S): C 173.635 173.635 174.978 -1.343 RESID 135 (S): CA 56.336 56.336 59.974 -3.638 RESID 135 (S): CB 63.949 63.949 63.059 0.890 RESID 135 (S): H 7.840 7.840 7.893 -0.053 RESID 136 (I): N 124.123 124.123 122.160 1.963 RESID 136 (I): C 175.100 175.100 176.055 -0.955 RESID 136 (I): CA 68.634 68.634 62.833 5.801 RESID 136 (I): CB 43.452 43.452 38.074 5.378 RESID 136 (I): H 8.098 8.098 7.406 0.692 RESID 137 (V): N 113.232 113.232 121.826 -8.594 RESID 137 (V): C 176.859 176.859 176.208 0.651 RESID 137 (V): CA 64.534 64.534 61.608 2.926 RESID 137 (V): CB 34.082 34.082 32.914 1.167 RESID 137 (V): H 7.711 7.711 8.064 -0.353 RESID 138 (F): N 118.279 118.279 123.221 -4.942 RESID 138 (F): C 175.393 175.393 176.332 -0.939 RESID 138 (F): CA 58.092 58.092 62.865 -4.773 RESID 138 (F): CB 39.353 39.353 39.186 0.167 RESID 138 (F): H 8.317 8.317 7.623 0.694 RESID 139 (H): N 120.605 120.605 116.398 4.207 RESID 139 (H): C 175.979 175.979 177.152 -1.173 RESID 139 (H): CA 67.775 67.775 59.425 8.350 RESID 139 (H): CB 35.836 35.836 29.022 6.814 RESID 139 (H): H 8.094 8.094 8.872 -0.778 RESID 140 (R): N 120.140 120.140 120.439 -0.299 RESID 140 (R): C 178.023 178.023 179.245 -1.222 RESID 140 (R): CA 58.394 58.394 59.379 -0.985 RESID 140 (R): CB 39.644 39.644 29.652 9.992 RESID 140 (R): H 8.149 8.149 7.147 1.002 RESID 141 (K): N 115.623 115.623 119.607 -3.984 RESID 141 (K): C 173.635 173.635 178.069 -4.434 RESID 141 (K): CA 58.092 58.092 58.821 -0.729 RESID 141 (K): CB 33.496 33.496 32.228 1.268 RESID 141 (K): H 7.449 7.449 7.653 -0.204 RESID 142 (K): N 114.162 114.162 116.132 -1.970 RESID 142 (K): C 175.979 175.979 176.017 -0.038 RESID 142 (K): CA 51.065 51.065 55.090 -4.025 RESID 142 (K): CB 34.668 34.668 32.144 2.524 RESID 142 (K): H 8.982 8.982 7.791 1.191 RESID 143 (N): N 112.103 112.103 114.719 -2.616 RESID 143 (N): C 175.100 175.100 174.300 0.800 RESID 143 (N): CA 53.407 53.407 53.837 -0.430 RESID 143 (N): CB 39.938 39.938 36.406 3.532 RESID 143 (N): H 7.402 7.402 7.683 -0.281 RESID 144 (L): N 118.810 118.810 116.535 2.275 RESID 144 (L): CA 53.993 53.993 53.436 0.557 RESID 144 (L): CB 42.866 42.866 43.995 -1.129 RESID 144 (L): H 7.793 7.793 7.989 -0.196 RESID 145 (Q): N 119.607 119.607 119.124 0.483 RESID 145 (Q): C 176.859 176.859 173.692 3.167 RESID 145 (Q): CA 55.164 55.164 53.857 1.307 RESID 145 (Q): CB 29.983 29.983 30.785 -0.802 RESID 145 (Q): H 7.014 7.014 7.923 -0.909 RESID 146 (Y): N 119.275 119.275 126.096 -6.821 RESID 146 (Y): C 174.807 174.807 174.142 0.665 RESID 146 (Y): CA 62.777 62.777 55.799 6.978 RESID 146 (Y): CB 41.109 41.109 40.597 0.512 RESID 146 (Y): H 9.350 9.350 8.058 1.292 RESID 147 (Y): N 123.658 123.658 125.512 -1.854 RESID 147 (Y): C 177.738 177.738 173.792 3.946 RESID 147 (Y): CA 58.092 58.092 56.194 1.898 RESID 147 (Y): CB 39.938 39.938 42.075 -2.137 RESID 147 (Y): H 8.340 8.340 8.617 -0.277 RESID 148 (D): N 121.267 121.267 123.331 -2.064 RESID 148 (D): C 176.859 176.859 175.214 1.645 RESID 148 (D): CA 54.579 54.579 54.415 0.164 RESID 148 (D): CB 41.109 41.109 41.627 -0.518 RESID 148 (D): H 8.911 8.911 8.384 0.527 RESID 149 (I): N 119.607 119.607 118.719 0.888 RESID 149 (I): C 174.807 174.807 174.282 0.525 RESID 149 (I): CA 61.020 61.020 59.158 1.862 RESID 149 (I): CB 39.353 39.353 42.569 -3.216 RESID 149 (I): H 8.712 8.712 8.661 0.051 RESID 150 (S): N 117.349 117.349 117.227 0.122 RESID 150 (S): C 175.686 175.686 174.359 1.327 RESID 150 (S): CA 60.435 60.435 55.704 4.731 RESID 150 (S): CB 62.192 62.192 65.463 -3.271 RESID 150 (S): H 8.454 8.454 8.466 -0.012 RESID 151 (A): N 131.162 131.162 131.262 -0.100 RESID 151 (A): C 160.742 160.742 179.333 -18.591 RESID 151 (A): CA 53.993 53.993 55.439 -1.446 RESID 151 (A): CB 22.369 22.369 19.025 3.344 RESID 151 (A): H 10.640 10.640 8.841 1.799 RESID 152 (K): N 121.400 121.400 118.454 2.946 RESID 152 (K): C 174.221 174.221 178.048 -3.827 RESID 152 (K): CA 59.849 59.849 58.390 1.459 RESID 152 (K): CB 34.668 34.668 32.466 2.202 RESID 152 (K): H 9.099 9.099 8.428 0.671 RESID 153 (S): N 135.212 135.212 111.610 23.602 RESID 153 (S): C 177.152 177.152 173.981 3.171 RESID 153 (S): CA 62.192 62.192 58.737 3.454 RESID 153 (S): CB 66.291 66.291 63.829 2.462 RESID 153 (S): H 8.935 8.935 7.831 1.104 RESID 154 (N): N 119.341 119.341 115.511 3.830 RESID 154 (N): C 175.979 175.979 174.081 1.898 RESID 154 (N): CA 49.894 49.894 54.583 -4.689 RESID 154 (N): CB 39.353 39.353 36.618 2.735 RESID 154 (N): H 7.488 7.488 8.090 -0.602 RESID 155 (Y): N 120.074 120.074 123.022 -2.948 RESID 155 (Y): C 177.144 177.144 175.198 1.946 RESID 155 (Y): CA 60.738 60.738 59.608 1.130 RESID 155 (Y): CB 41.402 41.402 38.822 2.580 RESID 155 (Y): H 7.945 7.945 7.568 0.377 RESID 156 (N): N 124.058 124.058 122.772 1.286 RESID 156 (N): C 175.679 175.679 175.165 0.514 RESID 156 (N): CA 53.121 53.121 54.178 -1.057 RESID 156 (N): CB 38.179 38.179 35.961 2.218 RESID 156 (N): H 8.192 8.192 8.871 -0.679 RESID 157 (F): N 123.459 123.459 119.179 4.280 RESID 157 (F): C 174.221 174.221 175.774 -1.553 RESID 157 (F): CA 57.507 57.507 61.019 -3.512 RESID 157 (F): CB 39.353 39.353 39.286 0.067 RESID 157 (F): H 7.429 7.429 7.692 -0.263 RESID 158 (E): N 112.568 112.568 114.885 -2.317 RESID 158 (E): C 176.566 176.566 177.470 -0.904 RESID 158 (E): CA 72.147 72.147 56.750 15.397 RESID 158 (E): CB 27.640 27.640 29.113 -1.473 RESID 158 (E): H 7.495 7.495 8.485 -0.990 RESID 159 (K): N 113.232 113.232 120.032 -6.800 RESID 159 (K): C 176.566 176.566 175.894 0.672 RESID 159 (K): CA 53.993 53.993 61.507 -7.514 RESID 159 (K): CB 33.496 33.496 29.801 3.695 RESID 159 (K): H 6.862 6.862 7.233 -0.371 RESID 160 (P): C 176.273 176.273 178.622 -2.349 RESID 160 (P): CA 64.258 64.258 65.631 -1.373 RESID 160 (P): CB 32.318 32.318 31.168 1.150 RESID 161 (F): N 123.726 123.726 117.377 6.349 RESID 161 (F): C 176.851 176.851 177.725 -0.874 RESID 161 (F): CA 60.445 60.445 61.820 -1.375 RESID 161 (F): CB 40.816 40.816 37.893 2.923 RESID 161 (F): H 8.215 8.215 7.278 0.937 RESID 162 (L): N 110.177 110.177 119.115 -8.938 RESID 162 (L): C 176.273 176.273 178.708 -2.435 RESID 162 (L): CA 55.750 55.750 57.945 -2.195 RESID 162 (L): CB 44.037 44.037 41.528 2.509 RESID 162 (L): H 7.527 7.527 8.026 -0.499 RESID 163 (W): N 123.525 123.525 121.421 2.104 RESID 163 (W): C 177.152 177.152 178.057 -0.905 RESID 163 (W): CA 61.606 61.606 62.199 -0.593 RESID 163 (W): CB 28.811 28.811 29.633 -0.822 RESID 163 (W): H 7.476 7.476 8.323 -0.847 RESID 164 (L): N 119.740 119.740 118.967 0.773 RESID 164 (L): C 175.686 175.686 178.981 -3.295 RESID 164 (L): CA 61.020 61.020 57.869 3.151 RESID 164 (L): CB 45.794 45.794 41.397 4.397 RESID 164 (L): H 9.412 9.412 8.171 1.241 RESID 165 (A): N 118.013 118.013 121.395 -3.382 RESID 165 (A): C 165.723 165.723 179.582 -13.859 RESID 165 (A): CA 52.236 52.236 55.241 -3.005 RESID 165 (A): CB 21.784 21.784 18.165 3.619 RESID 165 (A): H 7.707 7.707 8.216 -0.509 RESID 166 (R): N 122.994 122.994 118.162 4.832 RESID 166 (R): C 175.979 175.979 179.103 -3.124 RESID 166 (R): CA 49.308 49.308 59.296 -9.988 RESID 166 (R): CB 29.397 29.397 30.086 -0.689 RESID 166 (R): H 8.692 8.692 8.144 0.548 RESID 167 (K): N 112.568 112.568 119.433 -6.865 RESID 167 (K): C 176.273 176.273 179.262 -2.989 RESID 167 (K): CA 58.092 58.092 58.409 -0.317 RESID 167 (K): CB 34.668 34.668 31.618 3.050 RESID 167 (K): H 6.819 6.819 7.551 -0.732 RESID 168 (L): N 114.959 114.959 119.917 -4.958 RESID 168 (L): C 177.738 177.738 179.031 -1.293 RESID 168 (L): CA 56.921 56.921 57.469 -0.548 RESID 168 (L): CB 41.695 41.695 41.525 0.170 RESID 168 (L): H 7.269 7.269 7.816 -0.547 RESID 169 (I): N 122.199 122.199 115.992 6.207 RESID 169 (I): C 177.445 177.445 177.166 0.279 RESID 169 (I): CA 63.375 63.375 63.265 0.110 RESID 169 (I): CB 42.281 42.281 38.707 3.574 RESID 169 (I): H 8.360 8.360 7.993 0.367 RESID 170 (G): N 113.099 113.099 106.539 6.560 RESID 170 (G): C 162.496 162.496 173.859 -11.363 RESID 170 (G): CA 44.037 44.037 44.899 -0.862 RESID 170 (G): H 6.686 6.686 8.006 -1.320 RESID 171 (D): N 113.232 113.232 121.644 -8.412 RESID 171 (D): C 178.910 178.910 176.188 2.722 RESID 171 (D): CA 50.479 50.479 50.570 -0.091 RESID 171 (D): CB 41.109 41.109 42.207 -1.098 RESID 171 (D): H 6.815 6.815 7.547 -0.732 RESID 172 (P): C 176.566 176.566 177.227 -0.661 RESID 172 (P): CA 63.965 63.965 64.325 -0.360 RESID 172 (P): CB 31.732 31.732 32.229 -0.497 RESID 173 (N): N 109.779 109.779 115.338 -5.559 RESID 173 (N): C 175.979 175.979 175.161 0.818 RESID 173 (N): CA 54.579 54.579 52.847 1.732 RESID 173 (N): CB 36.424 36.424 39.158 -2.734 RESID 173 (N): H 8.016 8.016 8.346 -0.330 RESID 174 (L): N 109.248 109.248 122.827 -13.579 RESID 174 (L): C 176.566 176.566 175.445 1.121 RESID 174 (L): CA 56.336 56.336 56.056 0.279 RESID 174 (L): CB 44.037 44.037 42.919 1.118 RESID 174 (L): H 7.871 7.871 7.315 0.556 RESID 175 (E): N 125.185 125.185 125.228 -0.043 RESID 175 (E): C 177.445 177.445 174.552 2.893 RESID 175 (E): CA 76.247 76.247 54.280 21.967 RESID 175 (E): CB 28.811 28.811 33.445 -4.634 RESID 175 (E): H 9.127 9.127 8.202 0.925 RESID 176 (F): N 136.873 136.873 124.316 12.557 RESID 176 (F): C 178.617 178.617 175.535 3.082 RESID 176 (F): CA 59.264 59.264 58.063 1.201 RESID 176 (F): CB 44.623 44.623 40.224 4.399 RESID 176 (F): H 10.058 10.058 8.761 1.297 RESID 177 (V): N 118.877 118.877 124.065 -5.188 RESID 177 (V): C 177.445 177.445 174.046 3.399 RESID 177 (V): CA 62.777 62.777 59.061 3.716 RESID 177 (V): CB 34.668 34.668 34.113 0.555 RESID 177 (V): H 7.789 7.789 8.020 -0.231 RESID 178 (A): N 123.859 123.859 125.107 -1.248 RESID 178 (A): C 177.144 177.144 177.318 -0.174 RESID 178 (A): CA 54.000 54.000 54.535 -0.535 RESID 178 (A): CB 15.035 15.035 18.759 -3.724 RESID 178 (A): H 7.683 7.683 8.124 -0.441 RESID 179 (M): N 121.668 121.668 117.141 4.527 RESID 179 (M): C 177.144 177.144 173.453 3.691 RESID 179 (M): CA 60.445 60.445 52.860 7.585 RESID 179 (M): CB 39.351 39.351 33.467 5.884 RESID 179 (M): H 7.648 7.648 7.662 -0.014 RESID 180 (P): C 177.445 177.445 175.312 2.133 RESID 180 (P): CA 64.844 64.844 62.314 2.530 RESID 180 (P): CB 29.974 29.974 33.236 -3.262 RESID 181 (A): N 128.439 128.439 124.795 3.644 RESID 181 (A): C 176.273 176.273 177.009 -0.736 RESID 181 (A): CA 58.092 58.092 51.532 6.559 RESID 181 (A): CB 21.198 21.198 19.166 2.032 RESID 181 (A): H 8.673 8.673 8.391 0.282 RESID 182 (L): N 122.130 122.130 123.627 -1.497 RESID 182 (L): C 177.445 177.445 177.096 0.349 RESID 182 (L): CA 55.164 55.164 54.035 1.129 RESID 182 (L): CB 42.866 42.866 43.383 -0.516 RESID 182 (L): H 8.821 8.821 8.526 0.295 RESID 183 (A): N 121.004 121.004 125.931 -4.927 RESID 183 (A): C 178.617 178.617 176.021 2.596 RESID 183 (A): CA 57.808 57.808 50.750 7.058 RESID 183 (A): CB 24.117 24.117 18.496 5.621 RESID 183 (A): H 8.356 8.356 8.304 0.052 RESID 184 (P): C 177.152 177.152 175.385 1.767 RESID 184 (P): CA 64.258 64.258 61.898 2.360 RESID 184 (P): CB 29.681 29.681 31.435 -1.754 RESID 185 (P): C 175.686 175.686 177.193 -1.507 RESID 185 (P): CA 63.379 63.379 62.416 0.964 RESID 185 (P): CB 35.248 35.248 32.504 2.744 RESID 186 (E): N 120.539 120.539 119.248 1.291 RESID 186 (E): C 176.273 176.273 176.185 0.088 RESID 186 (E): CA 58.101 58.101 57.548 0.553 RESID 186 (E): CB 35.836 35.836 29.595 6.241 RESID 186 (E): H 8.086 8.086 8.442 -0.356 RESID 187 (V): N 124.455 124.455 117.679 6.776 RESID 187 (V): C 178.910 178.910 175.228 3.682 RESID 187 (V): CA 63.363 63.363 62.502 0.861 RESID 187 (V): CB 34.082 34.082 30.734 3.348 RESID 187 (V): H 8.622 8.622 7.860 0.762 RESID 188 (V): N 128.572 128.572 121.977 6.595 RESID 188 (V): C 178.324 178.324 176.953 1.371 RESID 188 (V): CA 68.634 68.634 62.201 6.433 RESID 188 (V): CB 31.154 31.154 32.605 -1.451 RESID 188 (V): H 8.497 8.497 7.938 0.559 RESID 189 (M): N 122.795 122.795 119.755 3.040 RESID 189 (M): C 177.445 177.445 175.811 1.634 RESID 189 (M): CA 55.164 55.164 56.948 -1.784 RESID 189 (M): CB 35.253 35.253 31.755 3.498 RESID 189 (M): H 6.991 6.991 8.373 -1.382 RESID 190 (D): N 114.959 114.959 115.752 -0.793 RESID 190 (D): C 175.686 175.686 175.199 0.487 RESID 190 (D): CA 51.065 51.065 54.532 -3.466 RESID 190 (D): CB 41.695 41.695 38.836 2.859 RESID 190 (D): H 7.210 7.210 8.606 -1.396 RESID 191 (P): C 176.566 176.566 177.462 -0.896 RESID 191 (P): CA 63.965 63.965 64.739 -0.774 RESID 191 (P): CB 31.146 31.146 31.782 -0.636 RESID 192 (A): N 109.513 109.513 119.415 -9.902 RESID 192 (A): CA 53.993 53.993 53.468 0.526 RESID 192 (A): CB 19.441 19.441 18.599 0.842 RESID 192 (A): H 7.394 7.394 8.442 -1.048 RESID 193 (L): N 119.009 119.009 119.313 -0.304 RESID 193 (L): C 175.979 175.979 177.203 -1.224 RESID 193 (L): CA 56.336 56.336 55.695 0.641 RESID 193 (L): CB 42.866 42.866 42.049 0.817 RESID 193 (L): H 8.340 8.340 7.750 0.590 RESID 194 (A): N 121.666 121.666 119.891 1.775 RESID 194 (A): C 166.896 166.896 178.040 -11.144 RESID 194 (A): CA 55.164 55.164 52.864 2.300 RESID 194 (A): CB 16.513 16.513 19.175 -2.663 RESID 194 (A): H 8.176 8.176 7.820 0.356 RESID 195 (A): N 119.541 119.541 120.820 -1.279 RESID 195 (A): C 173.928 173.928 179.155 -5.227 RESID 195 (A): CA 57.507 57.507 54.187 3.321 RESID 195 (A): CB 19.441 19.441 17.127 2.314 RESID 195 (A): H 8.364 8.364 8.771 -0.407 RESID 196 (Q): N 107.322 107.322 119.689 -12.367 RESID 196 (Q): C 176.273 176.273 177.338 -1.065 RESID 196 (Q): CA 56.921 56.921 58.315 -1.394 RESID 196 (Q): CB 29.983 29.983 28.768 1.215 RESID 196 (Q): H 7.910 7.910 7.937 -0.027 RESID 197 (Y): N 119.277 119.277 120.139 -0.862 RESID 197 (Y): C 178.316 178.316 177.606 0.710 RESID 197 (Y): CA 56.343 56.343 61.037 -4.694 RESID 197 (Y): CB 43.453 43.453 38.188 5.265 RESID 197 (Y): H 8.180 8.180 8.463 -0.283 RESID 198 (E): N 110.244 110.244 118.512 -8.268 RESID 198 (E): C 176.273 176.273 178.717 -2.444 RESID 198 (E): CA 53.407 53.407 59.322 -5.915 RESID 198 (E): CB 30.568 30.568 29.233 1.335 RESID 198 (E): H 7.523 7.523 7.943 -0.420 RESID 199 (H): N 119.211 119.211 119.548 -0.337 RESID 199 (H): C 178.902 178.902 177.180 1.722 RESID 199 (H): CA 58.687 58.687 59.245 -0.558 RESID 199 (H): CB 34.957 34.957 29.777 5.180 RESID 199 (H): H 8.258 8.258 7.591 0.667 RESID 200 (D): N 124.722 124.722 120.070 4.652 RESID 200 (D): C 176.705 176.705 178.795 -2.090 RESID 200 (D): CA 58.687 58.687 57.234 1.453 RESID 200 (D): CB 39.644 39.644 40.307 -0.663 RESID 200 (D): H 8.086 8.086 8.141 -0.055 RESID 201 (L): N 116.353 116.353 119.924 -3.571 RESID 201 (L): C 178.910 178.910 178.879 0.031 RESID 201 (L): CA 61.606 61.606 57.942 3.664 RESID 201 (L): CB 41.109 41.109 41.564 -0.455 RESID 201 (L): H 7.722 7.722 7.807 -0.085 RESID 202 (E): N 118.080 118.080 119.605 -1.525 RESID 202 (E): C 176.566 176.566 179.118 -2.552 RESID 202 (E): CA 56.921 56.921 59.528 -2.607 RESID 202 (E): CB 30.568 30.568 29.379 1.189 RESID 202 (E): H 8.857 8.857 7.649 1.208 RESID 203 (V): N 129.369 129.369 119.948 9.421 RESID 203 (V): C 178.617 178.617 177.760 0.857 RESID 203 (V): CA 64.534 64.534 66.649 -2.115 RESID 203 (V): CB 27.640 27.640 31.273 -3.633 RESID 203 (V): H 9.283 9.283 7.616 1.667 RESID 204 (A): N 109.580 109.580 122.085 -12.505 RESID 204 (A): C 176.859 176.859 179.346 -2.487 RESID 204 (A): CA 54.579 54.579 54.855 -0.276 RESID 204 (A): CB 18.270 18.270 18.298 -0.028 RESID 204 (A): H 8.528 8.528 7.818 0.710 RESID 205 (Q): N 123.328 123.328 116.341 6.987 RESID 205 (Q): C 177.418 177.418 178.160 -0.742 RESID 205 (Q): CA 57.515 57.515 58.481 -0.966 RESID 205 (Q): CB 33.785 33.785 29.014 4.771 RESID 205 (Q): H 8.160 8.160 7.927 0.233 RESID 206 (T): N 120.271 120.271 113.738 6.533 RESID 206 (T): C 176.273 176.273 175.433 0.840 RESID 206 (T): CA 67.462 67.462 64.606 2.856 RESID 206 (T): CB 70.390 70.390 69.070 1.320 RESID 206 (T): H 7.585 7.585 7.739 -0.154 RESID 207 (T): N 111.970 111.970 118.694 -6.724 RESID 207 (T): C 176.566 176.566 174.048 2.518 RESID 207 (T): CA 64.534 64.534 63.417 1.117 RESID 207 (T): CB 72.733 72.733 69.538 3.195 RESID 207 (T): H 7.468 7.468 7.552 -0.084 RESID 208 (A): N 115.623 115.623 128.557 -12.934 RESID 208 (A): C 168.947 168.947 177.248 -8.301 RESID 208 (A): CA 55.164 55.164 52.040 3.124 RESID 208 (A): CB 22.369 22.369 19.510 2.859 RESID 208 (A): H 7.390 7.390 8.239 -0.849 RESID 209 (L): N 117.814 117.814 124.831 -7.017 RESID 209 (L): C 176.273 176.273 175.564 0.709 RESID 209 (L): CA 58.678 58.678 52.463 6.215 RESID 209 (L): CB 46.380 46.380 42.680 3.700 RESID 209 (L): H 7.652 7.652 8.114 -0.462 RESID 210 (P): C 176.566 176.566 175.771 0.795 RESID 210 (P): CA 63.086 63.086 62.077 1.009 RESID 210 (P): CB 31.146 31.146 32.751 -1.605 RESID 211 (D): N 122.863 122.863 119.822 3.041 RESID 211 (D): C 175.686 175.686 175.472 0.214 RESID 211 (D): CA 56.343 56.343 54.421 1.922 RESID 211 (D): CB 41.402 41.402 40.926 0.476 RESID 211 (D): H 8.360 8.360 8.330 0.030 RESID 212 (E): N 131.162 131.162 125.063 6.099 RESID 212 (E): C 176.273 176.273 176.300 -0.027 RESID 212 (E): CA 55.164 55.164 57.389 -2.225 RESID 212 (E): CB 30.568 30.568 31.492 -0.924 RESID 212 (E): H 8.399 8.399 8.453 -0.054 RESID 213 (D): N 122.797 122.797 116.190 6.607 RESID 213 (D): C 177.152 177.152 177.118 0.034 RESID 213 (D): CA 61.914 61.914 53.194 8.720 RESID 213 (D): CB 49.607 49.607 40.869 8.738 RESID 213 (D): H 8.168 8.168 8.398 -0.230 RESID 214 (D): N 112.369 112.369 121.654 -9.285 RESID 214 (D): C 178.910 178.910 177.218 1.692 RESID 214 (D): CA 54.579 54.579 56.788 -2.209 RESID 214 (D): CB 39.353 39.353 40.358 -1.006 RESID 214 (D): H 7.464 7.464 8.021 -0.557 RESID 215 (D): N 127.244 127.244 118.861 8.383 RESID 215 (D): C 176.859 176.859 177.040 -0.181 RESID 215 (D): CA 54.579 54.579 55.893 -1.314 RESID 215 (D): CB 40.524 40.524 40.800 -0.276 RESID 215 (D): H 8.301 8.301 8.303 -0.002 N HA C CA CB H RESID 3 (A): 3.470 ----- -2.681 -4.377 0.439 0.388 RESID 4 (Q): 0.889 ----- -0.623 -1.342 -1.950 0.757 RESID 5 (G): 14.630 ----- 8.007 0.854 ----- 0.235 RESID 6 (E): 7.081 ----- 0.987 3.319 -1.618 1.362 RESID 7 (P): ----- ----- -0.290 -1.437 -1.056 ----- RESID 8 (Q): -1.416 ----- 2.131 -5.695 -3.091 -2.050 RESID 9 (V): 3.752 ----- 4.628 3.583 -0.211 -0.972 RESID 10 (Q): -9.218 ----- 1.964 1.214 -4.071 0.053 RESID 11 (F): -5.789 ----- 1.826 3.297 -1.570 -0.740 RESID 12 (K): 4.117 ----- 3.416 1.966 ----- 1.216 RESID 13 (L): -16.337 ----- 2.208 1.142 -1.808 -2.090 RESID 14 (V): 3.896 ----- 0.983 9.239 -4.530 -0.407 RESID 15 (L): -2.537 ----- 2.835 2.474 ----- -1.356 RESID 16 (V): 0.082 ----- 3.795 4.930 0.800 0.101 RESID 17 (G): 20.763 ----- 1.195 -2.417 ----- 2.798 RESID 18 (D): 3.686 ----- -0.687 3.092 4.030 -0.173 RESID 19 (G): 14.383 ----- 3.699 -3.190 ----- 0.068 RESID 20 (G): 15.980 ----- -1.742 -3.671 ----- 0.705 RESID 21 (T): 4.265 ----- -3.718 -4.709 -4.077 0.356 RESID 22 (G): 5.962 ----- 9.578 -0.082 ----- -1.637 RESID 23 (K): 1.716 ----- 0.640 -1.000 8.278 -0.952 RESID 24 (T): -0.457 ----- 1.657 -4.968 3.439 -0.039 RESID 25 (T): -8.877 ----- 2.168 -3.038 3.079 0.265 RESID 26 (F): -8.864 ----- -2.574 -8.707 1.571 -0.836 RESID 27 (V): 2.376 ----- 0.160 0.564 -2.234 -1.407 RESID 28 (K): -5.470 ----- -2.039 -1.873 2.101 -0.811 RESID 29 (R): -7.930 ----- -5.020 13.040 7.706 -1.356 RESID 30 (H): 4.628 ----- -4.918 -7.728 1.110 -0.236 RESID 31 (L): -7.561 ----- -0.461 -2.093 0.009 -0.240 RESID 32 (T): 15.559 ----- -4.797 1.856 4.896 0.149 RESID 33 (G): 17.757 ----- -12.070 -1.922 ----- 1.954 RESID 34 (E): 0.621 ----- -0.489 2.277 3.694 0.794 RESID 35 (F): -7.539 ----- -1.014 -7.723 0.800 -1.499 RESID 36 (E): -4.639 ----- -0.545 4.149 17.628 -0.490 RESID 37 (K): -7.455 ----- -4.279 -10.028 4.116 -0.092 RESID 38 (K): -11.852 ----- 0.523 3.663 1.663 -0.285 RESID 39 (Y): -16.005 ----- 0.655 3.184 -2.723 -1.090 RESID 40 (V): -9.796 ----- 0.843 0.694 -3.294 0.597 RESID 42 (T): -2.138 ----- 5.219 -2.045 0.783 -0.260 RESID 43 (L): -8.650 ----- -2.514 2.957 -0.083 0.765 RESID 44 (G): 1.561 ----- 6.185 8.743 ----- -1.636 RESID 45 (V): -12.391 ----- -0.338 2.632 -17.543 0.331 RESID 46 (E): 2.889 ----- 2.358 1.376 0.433 0.838 RESID 47 (V): -0.007 ----- -0.158 2.064 4.793 -0.001 RESID 48 (H): 1.721 ----- -4.017 -3.679 -4.443 1.126 RESID 49 (P): ----- ----- 0.358 -0.183 -2.615 ----- RESID 50 (L): -7.567 ----- 1.877 5.036 -3.088 -1.553 RESID 51 (V): -4.984 ----- -0.722 3.005 3.883 -0.562 RESID 52 (F): -1.958 ----- 0.702 -0.361 -2.454 -0.367 RESID 53 (H): -2.566 ----- -4.968 -0.391 -0.351 -0.936 RESID 54 (T): -3.750 ----- 2.587 3.939 1.133 -0.884 RESID 55 (N): 10.710 ----- -0.269 -4.823 -1.355 1.563 RESID 56 (R): 3.126 ----- -0.958 5.748 2.485 -0.501 RESID 57 (G): 19.817 ----- 3.793 -1.949 ----- 1.647 RESID 58 (P): ----- ----- 1.370 2.122 -3.197 ----- RESID 59 (I): 7.268 ----- 1.888 4.895 -1.934 -0.155 RESID 60 (K): 2.250 ----- 4.121 19.974 -3.858 -0.583 RESID 61 (F): -4.978 ----- 0.136 1.018 0.093 -2.068 RESID 62 (N): 0.561 ----- -1.287 0.431 2.721 -0.877 RESID 63 (V): -19.218 ----- -0.369 -1.675 -1.751 -0.916 RESID 64 (W): -0.337 ----- 1.755 4.747 -0.249 -0.563 RESID 65 (D): -6.589 ----- -1.261 1.980 -1.911 -0.545 RESID 66 (T): 4.357 ----- 4.234 8.240 0.482 -0.067 RESID 67 (A): -17.810 ----- -0.264 -2.648 -5.781 0.701 RESID 68 (G): 5.265 ----- 13.530 -0.985 ----- 1.944 RESID 69 (Q): 2.831 ----- -1.806 0.814 2.656 -0.211 RESID 70 (E): -5.346 ----- 0.602 1.001 -1.528 1.358 RESID 71 (K): -6.008 ----- -0.127 -7.414 4.075 0.415 RESID 72 (F): -5.284 ----- -0.862 -2.239 -2.604 -0.165 RESID 73 (G): 6.068 ----- -6.587 -2.495 ----- -0.252 RESID 74 (G): 12.236 ----- -2.031 -2.409 ----- 0.595 RESID 75 (L): 5.265 ----- 0.919 -3.504 0.359 -0.117 RESID 76 (R): 0.357 ----- -0.129 3.288 1.648 -0.392 RESID 77 (D): 8.959 ----- -0.826 -4.740 1.400 1.407 RESID 78 (G): 19.980 ----- -2.576 -2.490 ----- -0.231 RESID 79 (Y): 1.291 ----- -1.388 -0.199 2.482 1.086 RESID 80 (Y): 3.822 ----- 0.315 3.163 2.603 0.595 RESID 81 (I): -0.809 ----- 1.498 3.968 3.150 0.897 RESID 82 (Q): 0.597 ----- -0.992 3.113 4.574 -0.833 RESID 83 (A): -10.278 ----- -1.198 2.210 -2.567 -1.043 RESID 84 (Q): 0.150 ----- 1.057 3.427 4.669 -0.430 RESID 85 (C): 6.001 ----- 3.914 8.055 7.750 0.598 RESID 86 (A): -8.167 ----- ----- 7.122 -1.166 -2.000 RESID 87 (I): -0.157 ----- -0.704 0.958 -1.084 -0.411 RESID 88 (I): -7.340 ----- -1.222 4.331 -2.267 -3.463 RESID 89 (M): -5.484 ----- 2.749 4.699 0.028 -0.415 RESID 90 (F): 2.052 ----- 2.093 4.703 -3.714 0.487 RESID 91 (D): -1.051 ----- -0.247 7.604 1.414 -1.242 RESID 92 (V): -8.469 ----- -3.268 -0.490 6.244 -0.756 RESID 93 (T): 16.974 ----- 4.821 1.312 5.247 -0.662 RESID 94 (S): 6.606 ----- -11.261 4.597 -2.195 -0.200 RESID 95 (R): -15.062 ----- -1.703 -6.164 1.050 -0.931 RESID 96 (V): 5.365 ----- 0.256 2.170 -7.228 1.095 RESID 97 (T): -4.397 ----- 1.743 -2.472 1.408 0.315 RESID 98 (Y): -8.249 ----- -1.408 ----- ----- -0.231 RESID 99 (K): 5.033 ----- -0.226 -0.739 4.087 0.258 RESID 100 (N): -4.340 ----- -0.795 -1.778 -1.099 -1.947 RESID 101 (V): -2.712 ----- -1.333 -5.645 -2.182 -0.142 RESID 102 (P): ----- ----- -0.293 -2.698 -0.319 ----- RESID 103 (N): 7.837 ----- -1.901 0.109 1.550 0.577 RESID 104 (W): 2.538 ----- -3.494 -1.122 5.245 0.164 RESID 105 (H): 4.024 ----- 3.263 ----- ----- -1.455 RESID 106 (R): 4.030 ----- 0.082 5.227 -2.011 -0.266 RESID 107 (D): -2.683 ----- -1.911 -2.554 0.739 1.189 RESID 108 (L): -6.643 ----- -2.103 1.021 7.360 -1.140 RESID 109 (V): 2.468 ----- -3.229 -2.379 1.740 0.980 RESID 110 (R): -6.928 ----- -2.152 -2.023 0.488 -0.655 RESID 111 (V): -2.321 ----- 0.403 -6.019 0.336 -0.175 RESID 112 (C): -0.840 ----- -4.599 -1.179 7.019 -0.822 RESID 113 (E): -1.446 ----- 0.896 10.878 2.272 -1.008 RESID 114 (N): 7.604 ----- 0.494 -0.540 1.686 0.642 RESID 115 (I): -10.746 ----- 1.855 7.818 -0.352 1.286 RESID 116 (P): ----- ----- 0.341 -0.140 -2.498 ----- RESID 117 (I): -0.793 ----- -0.112 5.962 -3.489 -0.770 RESID 118 (V): -6.724 ----- 3.620 2.096 -2.794 0.019 RESID 119 (L): -7.377 ----- 1.974 -10.860 -4.881 -1.378 RESID 120 (C): -9.106 ----- 3.739 ----- ----- -0.783 RESID 121 (G): 4.130 ----- 4.349 -2.583 ----- -1.379 RESID 122 (N): 0.724 ----- 0.145 -1.126 -1.771 0.613 RESID 123 (K): 6.658 ----- -3.803 0.464 5.684 -0.772 RESID 124 (V): 10.434 ----- -0.976 -0.127 11.084 1.009 RESID 125 (D): -0.598 ----- -0.461 -0.776 -0.438 -0.437 RESID 126 (I): -4.883 ----- 0.096 4.438 1.158 0.048 RESID 127 (K): -5.503 ----- -0.925 -0.862 3.342 -0.485 RESID 128 (D): -2.076 ----- 1.610 0.346 0.876 -0.963 RESID 129 (R): -4.113 ----- 1.332 -10.596 0.279 0.600 RESID 130 (K): -12.961 ----- -0.032 -2.227 2.698 -1.040 RESID 131 (V): -10.184 ----- 3.610 3.694 4.474 1.289 RESID 132 (K): -17.368 ----- -1.140 4.652 1.089 1.496 RESID 133 (A): 7.357 ----- ----- -3.728 -5.438 -2.479 RESID 134 (K): -0.402 ----- -1.470 -3.042 22.262 -1.683 RESID 135 (S): -5.282 ----- -1.343 -3.638 0.890 -0.053 RESID 136 (I): 1.963 ----- -0.955 5.801 5.378 0.692 RESID 137 (V): -8.594 ----- 0.651 2.926 1.167 -0.353 RESID 138 (F): -4.942 ----- -0.939 -4.773 0.167 0.694 RESID 139 (H): 4.207 ----- -1.173 8.350 6.814 -0.778 RESID 140 (R): -0.299 ----- -1.222 -0.985 9.992 1.002 RESID 141 (K): -3.984 ----- -4.434 -0.729 1.268 -0.204 RESID 142 (K): -1.970 ----- -0.038 -4.025 2.524 1.191 RESID 143 (N): -2.616 ----- 0.800 -0.430 3.532 -0.281 RESID 144 (L): 2.275 ----- ----- 0.557 -1.129 -0.196 RESID 145 (Q): 0.483 ----- 3.167 1.307 -0.802 -0.909 RESID 146 (Y): -6.821 ----- 0.665 6.978 0.512 1.292 RESID 147 (Y): -1.854 ----- 3.946 1.898 -2.137 -0.277 RESID 148 (D): -2.064 ----- 1.645 0.164 -0.518 0.527 RESID 149 (I): 0.888 ----- 0.525 1.862 -3.216 0.051 RESID 150 (S): 0.122 ----- 1.327 4.731 -3.271 -0.012 RESID 151 (A): -0.100 ----- -18.591 -1.446 3.344 1.799 RESID 152 (K): 2.946 ----- -3.827 1.459 2.202 0.671 RESID 153 (S): 23.602 ----- 3.171 3.454 2.462 1.104 RESID 154 (N): 3.830 ----- 1.898 -4.689 2.735 -0.602 RESID 155 (Y): -2.948 ----- 1.946 1.130 2.580 0.377 RESID 156 (N): 1.286 ----- 0.514 -1.057 2.218 -0.679 RESID 157 (F): 4.280 ----- -1.553 -3.512 0.067 -0.263 RESID 158 (E): -2.317 ----- -0.904 15.397 -1.473 -0.990 RESID 159 (K): -6.800 ----- 0.672 -7.514 3.695 -0.371 RESID 160 (P): ----- ----- -2.349 -1.373 1.150 ----- RESID 161 (F): 6.349 ----- -0.874 -1.375 2.923 0.937 RESID 162 (L): -8.938 ----- -2.435 -2.195 2.509 -0.499 RESID 163 (W): 2.104 ----- -0.905 -0.593 -0.822 -0.847 RESID 164 (L): 0.773 ----- -3.295 3.151 4.397 1.241 RESID 165 (A): -3.382 ----- -13.859 -3.005 3.619 -0.509 RESID 166 (R): 4.832 ----- -3.124 -9.988 -0.689 0.548 RESID 167 (K): -6.865 ----- -2.989 -0.317 3.050 -0.732 RESID 168 (L): -4.958 ----- -1.293 -0.548 0.170 -0.547 RESID 169 (I): 6.207 ----- 0.279 0.110 3.574 0.367 RESID 170 (G): 6.560 ----- -11.363 -0.862 ----- -1.320 RESID 171 (D): -8.412 ----- 2.722 -0.091 -1.098 -0.732 RESID 172 (P): ----- ----- -0.661 -0.360 -0.497 ----- RESID 173 (N): -5.559 ----- 0.818 1.732 -2.734 -0.330 RESID 174 (L): -13.579 ----- 1.121 0.279 1.118 0.556 RESID 175 (E): -0.043 ----- 2.893 21.967 -4.634 0.925 RESID 176 (F): 12.557 ----- 3.082 1.201 4.399 1.297 RESID 177 (V): -5.188 ----- 3.399 3.716 0.555 -0.231 RESID 178 (A): -1.248 ----- -0.174 -0.535 -3.724 -0.441 RESID 179 (M): 4.527 ----- 3.691 7.585 5.884 -0.014 RESID 180 (P): ----- ----- 2.133 2.530 -3.262 ----- RESID 181 (A): 3.644 ----- -0.736 6.559 2.032 0.282 RESID 182 (L): -1.497 ----- 0.349 1.129 -0.516 0.295 RESID 183 (A): -4.927 ----- 2.596 7.058 5.621 0.052 RESID 184 (P): ----- ----- 1.767 2.360 -1.754 ----- RESID 185 (P): ----- ----- -1.507 0.964 2.744 ----- RESID 186 (E): 1.291 ----- 0.088 0.553 6.241 -0.356 RESID 187 (V): 6.776 ----- 3.682 0.861 3.348 0.762 RESID 188 (V): 6.595 ----- 1.371 6.433 -1.451 0.559 RESID 189 (M): 3.040 ----- 1.634 -1.784 3.498 -1.382 RESID 190 (D): -0.793 ----- 0.487 -3.466 2.859 -1.396 RESID 191 (P): ----- ----- -0.896 -0.774 -0.636 ----- RESID 192 (A): -9.902 ----- ----- 0.526 0.842 -1.048 RESID 193 (L): -0.304 ----- -1.224 0.641 0.817 0.590 RESID 194 (A): 1.775 ----- -11.144 2.300 -2.663 0.356 RESID 195 (A): -1.279 ----- -5.227 3.321 2.314 -0.407 RESID 196 (Q): -12.367 ----- -1.065 -1.394 1.215 -0.027 RESID 197 (Y): -0.862 ----- 0.710 -4.694 5.265 -0.283 RESID 198 (E): -8.268 ----- -2.444 -5.915 1.335 -0.420 RESID 199 (H): -0.337 ----- 1.722 -0.558 5.180 0.667 RESID 200 (D): 4.652 ----- -2.090 1.453 -0.663 -0.055 RESID 201 (L): -3.571 ----- 0.031 3.664 -0.455 -0.085 RESID 202 (E): -1.525 ----- -2.552 -2.607 1.189 1.208 RESID 203 (V): 9.421 ----- 0.857 -2.115 -3.633 1.667 RESID 204 (A): -12.505 ----- -2.487 -0.276 -0.028 0.710 RESID 205 (Q): 6.987 ----- -0.742 -0.966 4.771 0.233 RESID 206 (T): 6.533 ----- 0.840 2.856 1.320 -0.154 RESID 207 (T): -6.724 ----- 2.518 1.117 3.195 -0.084 RESID 208 (A): -12.934 ----- -8.301 3.124 2.859 -0.849 RESID 209 (L): -7.017 ----- 0.709 6.215 3.700 -0.462 RESID 210 (P): ----- ----- 0.795 1.009 -1.605 ----- RESID 211 (D): 3.041 ----- 0.214 1.922 0.476 0.030 RESID 212 (E): 6.099 ----- -0.027 -2.225 -0.924 -0.054 RESID 213 (D): 6.607 ----- 0.034 8.720 8.738 -0.230 RESID 214 (D): -9.285 ----- 1.692 -2.209 -1.006 -0.557 RESID 215 (D): 8.383 ----- -0.181 -1.314 -0.276 -0.002 DATA CS_STAT_INFO N RMS: 7.527 ppm Count: 201 Average Difference: 0.476 +/- 7.531 ppm DATA CS_STAT_INFO HA RMS: 0.493 ppm Count: 28 Average Difference: -0.362 +/- 0.341 ppm DATA CS_STAT_INFO C RMS: 3.497 ppm Count: 209 Average Difference: 0.145 +/- 3.502 ppm DATA CS_STAT_INFO CA RMS: 4.606 ppm Count: 210 Average Difference: -0.665 +/- 4.568 ppm DATA CS_STAT_INFO CB RMS: 4.061 ppm Count: 194 Average Difference: -1.004 +/- 3.945 ppm DATA CS_STAT_INFO HN RMS: 0.946 ppm Count: 201 Average Difference: 0.101 +/- 0.943 ppm ############################################################################ For conformer 7: Atom Original Corrected SPARTA Difference RESID 2 (A): N 131.228 131.228 123.841 7.387 RESID 2 (A): C 187.031 187.031 179.103 7.928 RESID 2 (A): CA 53.407 53.407 55.350 -1.943 RESID 2 (A): CB 20.027 20.027 18.379 1.648 RESID 2 (A): H 10.644 10.644 8.657 1.987 RESID 3 (A): N 124.521 124.521 120.476 4.045 RESID 3 (A): C 176.566 176.566 179.196 -2.630 RESID 3 (A): CA 49.894 49.894 54.437 -4.543 RESID 3 (A): CB 18.270 18.270 17.785 0.485 RESID 3 (A): H 8.669 8.669 8.196 0.473 RESID 4 (Q): N 118.080 118.080 116.767 1.313 RESID 4 (Q): C 176.273 176.273 177.126 -0.853 RESID 4 (Q): CA 54.579 54.579 56.555 -1.976 RESID 4 (Q): CB 27.054 27.054 29.190 -2.136 RESID 4 (Q): H 8.919 8.919 8.240 0.679 RESID 5 (G): N 121.002 121.002 106.315 14.687 RESID 5 (G): C 181.877 181.877 173.678 8.199 RESID 5 (G): CA 45.794 45.794 44.748 1.046 RESID 5 (G): H 8.082 8.082 7.901 0.181 RESID 6 (E): N 129.435 129.435 122.196 7.239 RESID 6 (E): C 176.566 176.566 174.855 1.711 RESID 6 (E): CA 56.336 56.336 53.169 3.167 RESID 6 (E): CB 28.811 28.811 30.410 -1.599 RESID 6 (E): H 9.267 9.267 7.875 1.392 RESID 7 (P): C 176.566 176.566 177.215 -0.649 RESID 7 (P): CA 63.672 63.672 64.732 -1.060 RESID 7 (P): CB 31.146 31.146 32.249 -1.103 RESID 8 (Q): N 112.502 112.502 113.246 -0.744 RESID 8 (Q): C 177.445 177.445 175.324 2.121 RESID 8 (Q): CA 50.479 50.479 56.195 -5.716 RESID 8 (Q): CB 28.811 28.811 31.796 -2.985 RESID 8 (Q): H 6.220 6.220 8.177 -1.957 RESID 9 (V): N 117.416 117.416 117.989 -0.573 RESID 9 (V): C 178.324 178.324 173.608 4.716 RESID 9 (V): CA 63.363 63.363 60.774 2.589 RESID 9 (V): CB 34.668 34.668 35.330 -0.662 RESID 9 (V): H 6.561 6.561 7.754 -1.193 RESID 10 (Q): N 113.896 113.896 123.110 -9.214 RESID 10 (Q): C 176.273 176.273 174.562 1.711 RESID 10 (Q): CA 55.164 55.164 53.879 1.285 RESID 10 (Q): CB 28.226 28.226 32.194 -3.968 RESID 10 (Q): H 7.847 7.847 8.002 -0.155 RESID 11 (F): N 118.744 118.744 124.703 -5.959 RESID 11 (F): C 176.566 176.566 174.816 1.750 RESID 11 (F): CA 59.849 59.849 56.337 3.512 RESID 11 (F): CB 41.109 41.109 42.058 -0.949 RESID 11 (F): H 8.262 8.262 8.968 -0.706 RESID 12 (K): N 129.437 129.437 125.817 3.620 RESID 12 (K): C 178.609 178.609 175.017 3.592 RESID 12 (K): CA 57.808 57.808 55.997 1.811 RESID 12 (K): H 10.015 10.015 8.829 1.186 RESID 13 (L): N 112.103 112.103 130.294 -18.191 RESID 13 (L): C 177.738 177.738 174.663 3.075 RESID 13 (L): CA 54.579 54.579 53.561 1.018 RESID 13 (L): CB 42.866 42.866 45.366 -2.500 RESID 13 (L): H 6.905 6.905 9.159 -2.254 RESID 14 (V): N 127.310 127.310 128.119 -0.809 RESID 14 (V): C 175.393 175.393 174.192 1.201 RESID 14 (V): CA 70.976 70.976 61.806 9.170 RESID 14 (V): CB 28.811 28.811 33.354 -4.543 RESID 14 (V): H 8.305 8.305 8.958 -0.653 RESID 15 (L): N 128.640 128.640 131.052 -2.412 RESID 15 (L): C 177.730 177.730 175.094 2.636 RESID 15 (L): CA 55.758 55.758 53.199 2.559 RESID 15 (L): H 7.718 7.718 9.042 -1.324 RESID 16 (V): N 121.267 121.267 121.635 -0.368 RESID 16 (V): C 178.324 178.324 174.394 3.930 RESID 16 (V): CA 63.363 63.363 58.528 4.835 RESID 16 (V): CB 35.839 35.839 35.145 0.694 RESID 16 (V): H 8.935 8.935 8.831 0.104 RESID 17 (G): N 127.908 127.908 106.929 20.979 RESID 17 (G): C 174.514 174.514 173.034 1.480 RESID 17 (G): CA 42.281 42.281 44.728 -2.447 RESID 17 (G): H 9.682 9.682 6.914 2.768 RESID 18 (D): N 125.054 125.054 121.287 3.767 RESID 18 (D): C 176.851 176.851 177.492 -0.641 RESID 18 (D): CA 57.515 57.515 54.311 3.204 RESID 18 (D): CB 46.090 46.090 42.105 3.985 RESID 18 (D): H 8.282 8.282 8.400 -0.118 RESID 19 (G): N 120.670 120.670 106.557 14.113 RESID 19 (G): C 178.324 178.324 174.808 3.516 RESID 19 (G): CA 42.281 42.281 45.716 -3.435 RESID 19 (G): H 8.825 8.825 8.605 0.220 RESID 20 (G): N 129.369 129.369 112.177 17.192 RESID 20 (G): C 174.221 174.221 175.826 -1.605 RESID 20 (G): CA 41.695 41.695 45.534 -3.839 RESID 20 (G): H 8.477 8.477 8.110 0.367 RESID 21 (T): N 122.199 122.199 116.548 5.651 RESID 21 (T): C 171.291 171.291 174.947 -3.656 RESID 21 (T): CA 61.914 61.914 66.064 -4.149 RESID 21 (T): CB 65.137 65.137 69.311 -4.174 RESID 21 (T): H 8.059 8.059 7.451 0.608 RESID 22 (G): N 112.369 112.369 105.868 6.501 RESID 22 (G): C 184.807 184.807 175.197 9.610 RESID 22 (G): CA 45.209 45.209 45.116 0.093 RESID 22 (G): H 6.772 6.772 8.270 -1.498 RESID 23 (K): N 122.066 122.066 120.539 1.527 RESID 23 (K): C 178.589 178.589 177.946 0.643 RESID 23 (K): CA 58.101 58.101 59.819 -1.718 RESID 23 (K): CB 40.230 40.230 32.341 7.889 RESID 23 (K): H 7.441 7.441 8.472 -1.031 RESID 24 (T): N 114.627 114.627 114.436 0.191 RESID 24 (T): C 178.324 178.324 176.833 1.491 RESID 24 (T): CA 62.192 62.192 67.346 -5.154 RESID 24 (T): CB 71.562 71.562 68.212 3.350 RESID 24 (T): H 8.469 8.469 8.529 -0.060 RESID 25 (T): N 110.377 110.377 119.489 -9.112 RESID 25 (T): C 178.324 178.324 176.195 2.129 RESID 25 (T): CA 64.534 64.534 67.434 -2.900 RESID 25 (T): CB 71.562 71.562 68.543 3.019 RESID 25 (T): H 8.415 8.415 8.227 0.188 RESID 26 (F): N 114.295 114.295 122.588 -8.293 RESID 26 (F): C 174.514 174.514 177.069 -2.555 RESID 26 (F): CA 53.407 53.407 61.995 -8.588 RESID 26 (F): CB 40.524 40.524 39.065 1.459 RESID 26 (F): H 7.707 7.707 8.450 -0.743 RESID 27 (V): N 123.525 123.525 120.358 3.167 RESID 27 (V): C 178.031 178.031 177.859 0.172 RESID 27 (V): CA 67.462 67.462 67.019 0.443 RESID 27 (V): CB 29.397 29.397 31.471 -2.075 RESID 27 (V): H 6.967 6.967 8.259 -1.292 RESID 28 (K): N 114.228 114.228 119.647 -5.419 RESID 28 (K): C 176.566 176.566 178.636 -2.070 RESID 28 (K): CA 58.092 58.092 59.909 -1.817 RESID 28 (K): CB 34.082 34.082 31.956 2.126 RESID 28 (K): H 7.429 7.429 8.190 -0.761 RESID 29 (R): N 112.037 112.037 120.011 -7.974 RESID 29 (R): C 174.221 174.221 178.902 -4.681 RESID 29 (R): CA 72.147 72.147 59.256 12.891 RESID 29 (R): CB 37.596 37.596 30.034 7.562 RESID 29 (R): H 6.803 6.803 8.161 -1.358 RESID 30 (H): N 122.396 122.396 117.679 4.717 RESID 30 (H): C 172.170 172.170 177.450 -5.280 RESID 30 (H): CA 51.651 51.651 59.466 -7.815 RESID 30 (H): CB 30.568 30.568 29.438 1.130 RESID 30 (H): H 7.644 7.644 7.828 -0.184 RESID 31 (L): N 110.377 110.377 119.602 -9.225 RESID 31 (L): C 178.031 178.031 178.773 -0.742 RESID 31 (L): CA 55.164 55.164 57.699 -2.535 RESID 31 (L): CB 42.281 42.281 42.160 0.121 RESID 31 (L): H 7.894 7.894 8.290 -0.396 RESID 32 (T): N 121.468 121.468 106.108 15.360 RESID 32 (T): C 170.705 170.705 175.548 -4.843 RESID 32 (T): CA 63.668 63.668 61.887 1.781 RESID 32 (T): CB 75.679 75.679 70.756 4.923 RESID 32 (T): H 8.372 8.372 8.315 0.057 RESID 33 (G): N 127.841 127.841 110.125 17.716 RESID 33 (G): C 161.914 161.914 174.073 -12.159 RESID 33 (G): CA 42.866 42.866 44.878 -2.012 RESID 33 (G): H 9.662 9.662 7.698 1.964 RESID 34 (E): N 120.871 120.871 120.256 0.615 RESID 34 (E): C 174.508 174.508 175.052 -0.544 RESID 34 (E): CA 58.101 58.101 55.932 2.168 RESID 34 (E): CB 34.371 34.371 30.738 3.633 RESID 34 (E): H 8.211 8.211 7.523 0.688 RESID 35 (F): N 111.838 111.838 119.168 -7.330 RESID 35 (F): C 174.221 174.221 175.247 -1.026 RESID 35 (F): CA 49.308 49.308 57.047 -7.739 RESID 35 (F): CB 41.695 41.695 40.865 0.830 RESID 35 (F): H 6.772 6.772 8.311 -1.539 RESID 36 (E): N 120.672 120.672 125.276 -4.604 RESID 36 (E): C 175.686 175.686 175.987 -0.301 RESID 36 (E): CA 58.980 58.980 54.995 3.985 RESID 36 (E): CB 48.140 48.140 31.072 17.068 RESID 36 (E): H 8.293 8.293 8.755 -0.462 RESID 37 (K): N 118.810 118.810 124.986 -6.176 RESID 37 (K): C 172.756 172.756 176.464 -3.708 RESID 37 (K): CA 48.137 48.137 57.197 -9.060 RESID 37 (K): CB 37.010 37.010 33.316 3.694 RESID 37 (K): H 8.509 8.509 8.600 -0.091 RESID 38 (K): N 108.052 108.052 120.515 -12.463 RESID 38 (K): C 176.273 176.273 175.450 0.823 RESID 38 (K): CA 59.849 59.849 56.174 3.675 RESID 38 (K): CB 34.668 34.668 32.933 1.735 RESID 38 (K): H 7.715 7.715 7.731 -0.016 RESID 39 (Y): N 108.650 108.650 126.182 -17.532 RESID 39 (Y): C 175.686 175.686 174.657 1.029 RESID 39 (Y): CA 61.020 61.020 58.208 2.812 RESID 39 (Y): CB 36.424 36.424 39.292 -2.868 RESID 39 (Y): H 7.362 7.362 8.594 -1.232 RESID 40 (V): N 117.947 117.947 127.941 -9.994 RESID 40 (V): C 175.393 175.393 174.055 1.338 RESID 40 (V): CA 61.020 61.020 59.977 1.044 RESID 40 (V): CB 31.154 31.154 35.056 -3.902 RESID 40 (V): H 8.442 8.442 7.814 0.628 RESID 42 (T): N 117.150 117.150 119.606 -2.456 RESID 42 (T): C 178.910 178.910 174.045 4.865 RESID 42 (T): CA 60.435 60.435 62.646 -2.211 RESID 42 (T): CB 70.390 70.390 69.886 0.504 RESID 42 (T): H 8.192 8.192 8.448 -0.256 RESID 43 (L): N 119.209 119.209 128.598 -9.389 RESID 43 (L): C 174.807 174.807 177.787 -2.980 RESID 43 (L): CA 57.507 57.507 54.085 3.422 RESID 43 (L): CB 42.866 42.866 42.931 -0.065 RESID 43 (L): H 9.260 9.260 8.471 0.789 RESID 44 (G): N 114.361 114.361 114.022 0.339 RESID 44 (G): C 178.910 178.910 172.812 6.098 RESID 44 (G): CA 54.579 54.579 45.825 8.754 RESID 44 (G): H 6.979 6.979 8.618 -1.639 RESID 45 (V): N 110.244 110.244 122.879 -12.635 RESID 45 (V): C 174.807 174.807 174.673 0.134 RESID 45 (V): CA 63.363 63.363 60.645 2.718 RESID 45 (V): CB 17.099 17.099 34.688 -17.589 RESID 45 (V): H 8.309 8.309 8.064 0.245 RESID 46 (E): N 130.365 130.365 126.784 3.581 RESID 46 (E): C 176.859 176.859 174.249 2.610 RESID 46 (E): CA 55.164 55.164 54.548 0.616 RESID 46 (E): CB 32.325 32.325 32.210 0.115 RESID 46 (E): H 9.741 9.741 8.711 1.030 RESID 47 (V): N 125.254 125.254 124.245 1.009 RESID 47 (V): C 175.661 175.661 175.032 0.629 RESID 47 (V): CA 63.375 63.375 60.973 2.402 RESID 47 (V): CB 37.300 37.300 31.945 5.355 RESID 47 (V): H 8.250 8.250 6.991 1.259 RESID 48 (H): N 129.236 129.236 126.879 2.357 RESID 48 (H): C 169.240 169.240 172.811 -3.571 RESID 48 (H): CA 49.894 49.894 53.168 -3.274 RESID 48 (H): CB 27.640 27.640 31.971 -4.331 RESID 48 (H): H 10.390 10.390 8.838 1.552 RESID 49 (P): C 176.273 176.273 175.779 0.494 RESID 49 (P): CA 62.500 62.500 62.813 -0.313 RESID 49 (P): CB 29.974 29.974 32.182 -2.208 RESID 50 (L): N 119.408 119.408 127.520 -8.112 RESID 50 (L): C 177.445 177.445 175.086 2.359 RESID 50 (L): CA 59.264 59.264 53.934 5.330 RESID 50 (L): CB 42.281 42.281 45.028 -2.747 RESID 50 (L): H 7.492 7.492 8.901 -1.409 RESID 51 (V): N 117.947 117.947 122.852 -4.905 RESID 51 (V): C 174.514 174.514 174.946 -0.432 RESID 51 (V): CA 64.534 64.534 61.358 3.176 RESID 51 (V): CB 37.010 37.010 32.908 4.102 RESID 51 (V): H 7.715 7.715 8.095 -0.380 RESID 52 (F): N 124.853 124.853 126.647 -1.794 RESID 52 (F): C 175.100 175.100 174.484 0.616 RESID 52 (F): CA 56.336 56.336 56.397 -0.061 RESID 52 (F): CB 39.938 39.938 41.932 -1.994 RESID 52 (F): H 8.935 8.935 9.117 -0.182 RESID 53 (H): N 120.603 120.603 122.708 -2.105 RESID 53 (H): C 170.119 170.119 174.936 -4.817 RESID 53 (H): CA 55.164 55.164 56.048 -0.884 RESID 53 (H): CB 30.568 30.568 31.376 -0.808 RESID 53 (H): H 8.356 8.356 9.215 -0.859 RESID 54 (T): N 112.634 112.634 116.247 -3.613 RESID 54 (T): C 178.910 178.910 176.327 2.583 RESID 54 (T): CA 63.363 63.363 59.490 3.873 RESID 54 (T): CB 72.733 72.733 71.687 1.046 RESID 54 (T): H 7.574 7.574 8.491 -0.917 RESID 55 (N): N 131.095 131.095 120.436 10.659 RESID 55 (N): C 176.273 176.273 176.581 -0.308 RESID 55 (N): CA 51.065 51.065 55.906 -4.841 RESID 55 (N): CB 37.010 37.010 38.371 -1.361 RESID 55 (N): H 10.187 10.187 8.656 1.531 RESID 56 (R): N 122.064 122.064 117.998 4.066 RESID 56 (R): C 175.100 175.100 176.145 -1.045 RESID 56 (R): CA 61.606 61.606 55.983 5.623 RESID 56 (R): CB 32.911 32.911 30.631 2.280 RESID 56 (R): H 7.433 7.433 8.004 -0.571 RESID 57 (G): N 127.709 127.709 107.658 20.051 RESID 57 (G): C 175.979 175.979 172.158 3.821 RESID 57 (G): CA 42.281 42.281 44.248 -1.967 RESID 57 (G): H 9.373 9.373 7.720 1.653 RESID 58 (P): C 177.152 177.152 175.797 1.355 RESID 58 (P): CA 65.137 65.137 63.046 2.091 RESID 58 (P): CB 29.095 29.095 32.231 -3.136 RESID 59 (I): N 128.638 128.638 121.781 6.857 RESID 59 (I): C 175.979 175.979 174.322 1.657 RESID 59 (I): CA 65.120 65.120 60.181 4.939 RESID 59 (I): CB 40.524 40.524 42.640 -2.116 RESID 59 (I): H 8.794 8.794 8.972 -0.178 RESID 60 (K): N 127.711 127.711 125.322 2.389 RESID 60 (K): C 178.902 178.902 174.909 3.993 RESID 60 (K): CA 74.293 74.293 54.389 19.904 RESID 60 (K): CB 32.027 32.027 35.829 -3.802 RESID 60 (K): H 8.024 8.024 8.654 -0.630 RESID 61 (F): N 120.670 120.670 125.765 -5.095 RESID 61 (F): C 175.393 175.393 174.913 0.480 RESID 61 (F): CA 57.507 57.507 56.678 0.829 RESID 61 (F): CB 41.109 41.109 40.872 0.237 RESID 61 (F): H 7.515 7.515 9.464 -1.949 RESID 62 (N): N 124.789 124.789 123.976 0.813 RESID 62 (N): C 173.336 173.336 173.956 -0.620 RESID 62 (N): CA 53.121 53.121 52.373 0.748 RESID 62 (N): CB 41.695 41.695 39.632 2.063 RESID 62 (N): H 8.325 8.325 9.088 -0.763 RESID 63 (V): N 106.127 106.127 127.245 -21.118 RESID 63 (V): C 175.100 175.100 174.964 0.136 RESID 63 (V): CA 61.020 61.020 62.333 -1.313 RESID 63 (V): CB 31.154 31.154 32.605 -1.451 RESID 63 (V): H 8.113 8.113 8.767 -0.654 RESID 64 (W): N 129.302 129.302 129.502 -0.200 RESID 64 (W): C 177.152 177.152 175.091 2.061 RESID 64 (W): CA 59.264 59.264 55.738 3.526 RESID 64 (W): CB 29.397 29.397 30.053 -0.656 RESID 64 (W): H 8.970 8.970 9.501 -0.531 RESID 65 (D): N 119.607 119.607 125.732 -6.125 RESID 65 (D): C 174.514 174.514 175.770 -1.256 RESID 65 (D): CA 55.164 55.164 53.103 2.061 RESID 65 (D): CB 41.109 41.109 43.090 -1.981 RESID 65 (D): H 8.638 8.638 9.032 -0.394 RESID 66 (T): N 122.463 122.463 117.975 4.488 RESID 66 (T): C 178.617 178.617 174.235 4.382 RESID 66 (T): CA 68.048 68.048 59.723 8.325 RESID 66 (T): CB 71.562 71.562 71.190 0.372 RESID 66 (T): H 8.293 8.293 8.424 -0.131 RESID 67 (A): N 104.865 104.865 122.895 -18.030 RESID 67 (A): C 177.738 177.738 178.286 -0.548 RESID 67 (A): CA 48.722 48.722 51.714 -2.992 RESID 67 (A): CB 14.171 14.171 19.884 -5.713 RESID 67 (A): H 8.657 8.657 8.020 0.637 RESID 68 (G): N 115.357 115.357 110.068 5.289 RESID 68 (G): C 189.533 189.533 175.966 13.567 RESID 68 (G): CA 45.209 45.209 46.158 -0.949 RESID 68 (G): H 10.969 10.969 8.984 1.985 RESID 69 (Q): N 122.730 122.730 119.881 2.849 RESID 69 (Q): C 174.508 174.508 176.211 -1.703 RESID 69 (Q): CA 58.394 58.394 57.577 0.817 RESID 69 (Q): CB 31.441 31.441 28.775 2.666 RESID 69 (Q): H 8.336 8.336 8.546 -0.210 RESID 70 (E): N 114.826 114.826 120.202 -5.376 RESID 70 (E): C 176.273 176.273 175.643 0.630 RESID 70 (E): CA 57.507 57.507 56.470 1.037 RESID 70 (E): CB 28.811 28.811 30.343 -1.532 RESID 70 (E): H 9.651 9.651 8.288 1.363 RESID 71 (K): N 116.685 116.685 122.904 -6.219 RESID 71 (K): C 175.979 175.979 176.143 -0.164 RESID 71 (K): CA 48.722 48.722 56.264 -7.542 RESID 71 (K): CB 37.010 37.010 32.923 4.087 RESID 71 (K): H 8.712 8.712 8.312 0.400 RESID 72 (F): N 114.959 114.959 120.598 -5.639 RESID 72 (F): C 175.686 175.686 176.361 -0.675 RESID 72 (F): CA 56.336 56.336 58.888 -2.552 RESID 72 (F): CB 36.424 36.424 39.026 -2.602 RESID 72 (F): H 7.965 7.965 8.120 -0.155 RESID 73 (G): N 117.084 117.084 111.154 5.930 RESID 73 (G): C 168.068 168.068 174.641 -6.573 RESID 73 (G): CA 42.281 42.281 44.803 -2.522 RESID 73 (G): H 7.609 7.609 7.973 -0.364 RESID 74 (G): N 120.537 120.537 108.209 12.328 RESID 74 (G): C 174.514 174.514 176.331 -1.817 RESID 74 (G): CA 44.037 44.037 46.751 -2.714 RESID 74 (G): H 9.326 9.326 8.691 0.635 RESID 75 (L): N 127.177 127.177 121.633 5.544 RESID 75 (L): C 178.617 178.617 177.746 0.871 RESID 75 (L): CA 53.407 53.407 56.776 -3.369 RESID 75 (L): CB 42.281 42.281 42.035 0.246 RESID 75 (L): H 7.628 7.628 7.805 -0.177 RESID 76 (R): N 116.486 116.486 116.139 0.347 RESID 76 (R): C 176.859 176.859 177.109 -0.250 RESID 76 (R): CA 59.264 59.264 55.496 3.768 RESID 76 (R): CB 31.154 31.154 29.334 1.821 RESID 76 (R): H 7.143 7.143 7.527 -0.384 RESID 77 (D): N 129.236 129.236 120.395 8.841 RESID 77 (D): C 177.152 177.152 177.867 -0.715 RESID 77 (D): CA 52.822 52.822 58.226 -5.404 RESID 77 (D): CB 41.695 41.695 40.335 1.360 RESID 77 (D): H 8.947 8.947 7.498 1.449 RESID 78 (G): N 127.244 127.244 107.053 20.191 RESID 78 (G): C 173.928 173.928 176.286 -2.358 RESID 78 (G): CA 44.623 44.623 47.026 -2.403 RESID 78 (G): H 8.219 8.219 8.335 -0.116 RESID 79 (Y): N 120.537 120.537 118.735 1.802 RESID 79 (Y): C 176.273 176.273 177.283 -1.010 RESID 79 (Y): CA 58.678 58.678 58.770 -0.092 RESID 79 (Y): CB 40.524 40.524 37.862 2.662 RESID 79 (Y): H 8.563 8.563 7.360 1.203 RESID 80 (Y): N 122.132 122.132 117.457 4.675 RESID 80 (Y): C 175.979 175.979 175.755 0.224 RESID 80 (Y): CA 62.203 62.203 59.070 3.133 RESID 80 (Y): CB 41.988 41.988 39.513 2.475 RESID 80 (Y): H 8.254 8.254 7.546 0.708 RESID 81 (I): N 120.072 120.072 121.158 -1.086 RESID 81 (I): C 177.445 177.445 175.993 1.452 RESID 81 (I): CA 67.462 67.462 63.404 4.058 RESID 81 (I): CB 41.109 41.109 37.983 3.126 RESID 81 (I): H 8.837 8.837 7.918 0.919 RESID 82 (Q): N 121.601 121.601 123.332 -1.731 RESID 82 (Q): C 173.342 173.342 174.202 -0.860 RESID 82 (Q): CA 59.859 59.859 56.573 3.286 RESID 82 (Q): CB 30.855 30.855 26.967 3.888 RESID 82 (Q): H 8.184 8.184 8.985 -0.801 RESID 83 (A): N 109.713 109.713 119.644 -9.931 RESID 83 (A): C 175.979 175.979 177.226 -1.247 RESID 83 (A): CA 54.579 54.579 52.501 2.078 RESID 83 (A): CB 16.513 16.513 19.165 -2.652 RESID 83 (A): H 6.306 6.306 7.460 -1.154 RESID 84 (Q): N 121.203 121.203 121.888 -0.685 RESID 84 (Q): C 177.144 177.144 176.070 1.074 RESID 84 (Q): CA 60.152 60.152 56.526 3.626 RESID 84 (Q): CB 34.957 34.957 31.174 3.783 RESID 84 (Q): H 8.180 8.180 8.569 -0.389 RESID 85 (C): N 120.605 120.605 111.927 8.678 RESID 85 (C): C 176.566 176.566 172.764 3.802 RESID 85 (C): CA 65.430 65.430 56.077 9.353 RESID 85 (C): CB 39.644 39.644 31.841 7.803 RESID 85 (C): H 8.364 8.364 7.881 0.483 RESID 86 (A): N 114.295 114.295 122.148 -7.853 RESID 86 (A): CA 57.507 57.507 50.738 6.769 RESID 86 (A): CB 21.784 21.784 22.954 -1.170 RESID 86 (A): H 6.897 6.897 8.714 -1.817 RESID 87 (I): N 120.670 120.670 121.224 -0.554 RESID 87 (I): C 173.928 173.928 174.642 -0.714 RESID 87 (I): CA 61.020 61.020 60.049 0.971 RESID 87 (I): CB 39.938 39.938 41.449 -1.511 RESID 87 (I): H 8.282 8.282 8.660 -0.378 RESID 88 (I): N 120.205 120.205 127.463 -7.258 RESID 88 (I): C 173.635 173.635 174.896 -1.261 RESID 88 (I): CA 64.534 64.534 60.242 4.292 RESID 88 (I): CB 37.596 37.596 39.852 -2.256 RESID 88 (I): H 5.528 5.528 9.009 -3.481 RESID 89 (M): N 120.472 120.472 125.932 -5.460 RESID 89 (M): C 178.617 178.617 175.814 2.803 RESID 89 (M): CA 58.980 58.980 54.231 4.749 RESID 89 (M): CB 34.957 34.957 34.853 0.104 RESID 89 (M): H 8.176 8.176 8.697 -0.521 RESID 90 (F): N 121.134 121.134 118.722 2.412 RESID 90 (F): C 175.393 175.393 173.305 2.088 RESID 90 (F): CA 60.435 60.435 55.688 4.747 RESID 90 (F): CB 38.767 38.767 42.467 -3.700 RESID 90 (F): H 9.334 9.334 8.800 0.534 RESID 91 (D): N 120.273 120.273 121.483 -1.210 RESID 91 (D): C 177.730 177.730 178.124 -0.394 RESID 91 (D): CA 59.859 59.859 51.826 8.033 RESID 91 (D): CB 44.039 44.039 42.744 1.295 RESID 91 (D): H 7.597 7.597 8.843 -1.246 RESID 92 (V): N 115.158 115.158 123.640 -8.482 RESID 92 (V): C 173.342 173.342 176.606 -3.264 RESID 92 (V): CA 64.534 64.534 65.011 -0.477 RESID 92 (V): CB 37.596 37.596 31.354 6.242 RESID 92 (V): H 7.738 7.738 8.531 -0.793 RESID 93 (T): N 127.179 127.179 110.255 16.924 RESID 93 (T): C 178.902 178.902 174.497 4.405 RESID 93 (T): CA 64.254 64.254 63.032 1.222 RESID 93 (T): CB 74.215 74.215 69.063 5.152 RESID 93 (T): H 7.636 7.636 8.242 -0.606 RESID 94 (S): N 122.263 122.263 115.983 6.280 RESID 94 (S): C 163.965 163.965 175.099 -11.134 RESID 94 (S): CA 59.849 59.849 55.340 4.509 RESID 94 (S): CB 62.192 62.192 64.367 -2.175 RESID 94 (S): H 7.628 7.628 7.829 -0.201 RESID 95 (R): N 113.099 113.099 128.641 -15.542 RESID 95 (R): C 176.273 176.273 177.902 -1.629 RESID 95 (R): CA 53.407 53.407 59.611 -6.204 RESID 95 (R): CB 31.154 31.154 30.024 1.130 RESID 95 (R): H 8.102 8.102 9.077 -0.975 RESID 96 (V): N 124.787 124.787 119.139 5.648 RESID 96 (V): C 178.031 178.031 177.705 0.326 RESID 96 (V): CA 68.634 68.634 66.466 2.168 RESID 96 (V): CB 24.126 24.126 31.371 -7.245 RESID 96 (V): H 9.146 9.146 8.056 1.090 RESID 97 (T): N 111.970 111.970 116.338 -4.368 RESID 97 (T): C 178.031 178.031 176.185 1.846 RESID 97 (T): CA 63.949 63.949 66.458 -2.509 RESID 97 (T): CB 70.390 70.390 68.968 1.422 RESID 97 (T): H 7.984 7.984 7.658 0.326 RESID 98 (Y): N 113.232 113.232 121.294 -8.062 RESID 98 (Y): C 176.273 176.273 177.644 -1.371 RESID 98 (Y): H 7.605 7.605 7.797 -0.192 RESID 99 (K): N 123.726 123.726 118.871 4.855 RESID 99 (K): C 178.316 178.316 178.459 -0.143 RESID 99 (K): CA 58.691 58.691 59.414 -0.723 RESID 99 (K): CB 36.127 36.127 32.063 4.064 RESID 99 (K): H 8.360 8.360 8.068 0.292 RESID 100 (N): N 111.970 111.970 116.271 -4.301 RESID 100 (N): C 175.979 175.979 176.780 -0.801 RESID 100 (N): CA 53.407 53.407 54.714 -1.307 RESID 100 (N): CB 37.596 37.596 38.382 -0.786 RESID 100 (N): H 5.778 5.778 7.883 -2.105 RESID 101 (V): N 118.877 118.877 121.697 -2.820 RESID 101 (V): C 173.635 173.635 175.029 -1.394 RESID 101 (V): CA 62.777 62.777 68.445 -5.668 RESID 101 (V): CB 27.054 27.054 29.290 -2.236 RESID 101 (V): H 7.370 7.370 7.542 -0.172 RESID 102 (P): C 176.566 176.566 177.189 -0.623 RESID 102 (P): CA 62.500 62.500 65.533 -3.033 RESID 102 (P): CB 30.853 30.853 31.028 -0.175 RESID 103 (N): N 122.728 122.728 115.208 7.520 RESID 103 (N): C 175.100 175.100 177.223 -2.123 RESID 103 (N): CA 54.579 54.579 55.056 -0.477 RESID 103 (N): CB 38.767 38.767 37.191 1.576 RESID 103 (N): H 7.879 7.879 7.272 0.607 RESID 104 (W): N 122.730 122.730 120.268 2.462 RESID 104 (W): C 174.215 174.215 177.669 -3.454 RESID 104 (W): CA 59.273 59.273 60.488 -1.215 RESID 104 (W): CB 35.250 35.250 30.040 5.210 RESID 104 (W): H 7.902 7.902 7.755 0.147 RESID 105 (H): N 120.869 120.869 116.896 3.973 RESID 105 (H): C 177.738 177.738 174.459 3.279 RESID 105 (H): H 6.971 6.971 8.446 -1.475 RESID 106 (R): N 126.314 126.314 122.549 3.765 RESID 106 (R): C 176.566 176.566 176.455 0.111 RESID 106 (R): CA 62.777 62.777 57.532 5.245 RESID 106 (R): CB 29.397 29.397 31.407 -2.010 RESID 106 (R): H 7.507 7.507 7.847 -0.340 RESID 107 (D): N 119.076 119.076 121.814 -2.738 RESID 107 (D): C 176.566 176.566 178.463 -1.897 RESID 107 (D): CA 55.164 55.164 57.865 -2.701 RESID 107 (D): CB 41.695 41.695 40.999 0.696 RESID 107 (D): H 9.076 9.076 7.913 1.163 RESID 108 (L): N 113.299 113.299 119.821 -6.522 RESID 108 (L): C 176.273 176.273 178.375 -2.102 RESID 108 (L): CA 59.264 59.264 58.290 0.974 RESID 108 (L): CB 48.722 48.722 41.445 7.277 RESID 108 (L): H 6.725 6.725 7.906 -1.181 RESID 109 (V): N 121.267 121.267 118.568 2.699 RESID 109 (V): C 175.393 175.393 178.399 -3.006 RESID 109 (V): CA 63.949 63.949 66.351 -2.402 RESID 109 (V): CB 32.911 32.911 31.123 1.788 RESID 109 (V): H 8.763 8.763 7.658 1.105 RESID 110 (R): N 112.900 112.900 120.531 -7.631 RESID 110 (R): C 176.273 176.273 177.964 -1.691 RESID 110 (R): CA 57.507 57.507 59.128 -1.621 RESID 110 (R): CB 30.568 30.568 30.167 0.401 RESID 110 (R): H 7.241 7.241 7.850 -0.609 RESID 111 (V): N 115.556 115.556 116.924 -1.368 RESID 111 (V): C 177.445 177.445 177.022 0.423 RESID 111 (V): CA 59.849 59.849 66.155 -6.306 RESID 111 (V): CB 32.911 32.911 32.735 0.176 RESID 111 (V): H 7.566 7.566 7.700 -0.134 RESID 112 (C): N 114.295 114.295 115.469 -1.174 RESID 112 (C): C 169.826 169.826 174.451 -4.625 RESID 112 (C): CA 57.507 57.507 58.705 -1.198 RESID 112 (C): CB 35.839 35.839 29.108 6.731 RESID 112 (C): H 7.425 7.425 8.283 -0.858 RESID 113 (E): N 116.486 116.486 118.453 -1.967 RESID 113 (E): C 176.566 176.566 175.903 0.663 RESID 113 (E): CA 69.219 69.219 58.609 10.610 RESID 113 (E): CB 30.568 30.568 28.011 2.557 RESID 113 (E): H 7.241 7.241 8.409 -1.168 RESID 114 (N): N 129.302 129.302 121.977 7.325 RESID 114 (N): C 175.100 175.100 175.023 0.077 RESID 114 (N): CA 52.236 52.236 53.107 -0.871 RESID 114 (N): CB 39.938 39.938 38.290 1.648 RESID 114 (N): H 8.919 8.919 8.411 0.508 RESID 115 (I): N 110.443 110.443 120.063 -9.620 RESID 115 (I): C 175.100 175.100 173.364 1.736 RESID 115 (I): CA 65.705 65.705 57.911 7.794 RESID 115 (I): CB 39.353 39.353 40.108 -0.755 RESID 115 (I): H 9.287 9.287 7.955 1.332 RESID 116 (P): C 175.979 175.979 175.756 0.223 RESID 116 (P): CA 63.086 63.086 63.163 -0.077 RESID 116 (P): CB 29.681 29.681 32.480 -2.799 RESID 117 (I): N 123.591 123.591 123.855 -0.264 RESID 117 (I): C 174.807 174.807 175.151 -0.344 RESID 117 (I): CA 66.291 66.291 60.318 5.973 RESID 117 (I): CB 38.767 38.767 42.292 -3.525 RESID 117 (I): H 7.781 7.781 8.585 -0.804 RESID 118 (V): N 119.009 119.009 125.725 -6.716 RESID 118 (V): C 178.324 178.324 174.812 3.512 RESID 118 (V): CA 62.777 62.777 60.711 2.066 RESID 118 (V): CB 31.154 31.154 34.000 -2.846 RESID 118 (V): H 8.767 8.767 8.848 -0.081 RESID 119 (L): N 119.408 119.408 127.029 -7.621 RESID 119 (L): C 178.031 178.031 176.049 1.982 RESID 119 (L): CA 42.866 42.866 53.843 -10.977 RESID 119 (L): CB 38.767 38.767 43.729 -4.962 RESID 119 (L): H 7.734 7.734 9.145 -1.411 RESID 120 (C): N 113.232 113.232 122.406 -9.174 RESID 120 (C): C 178.031 178.031 174.260 3.771 RESID 120 (C): H 8.317 8.317 9.105 -0.788 RESID 121 (G): N 117.349 117.349 113.442 3.907 RESID 121 (G): C 176.851 176.851 172.842 4.009 RESID 121 (G): CA 41.109 41.109 43.729 -2.620 RESID 121 (G): H 7.515 7.515 8.907 -1.392 RESID 122 (N): N 125.318 125.318 123.852 1.466 RESID 122 (N): C 175.686 175.686 175.771 -0.085 RESID 122 (N): CA 50.479 50.479 49.980 0.499 RESID 122 (N): CB 39.353 39.353 40.830 -1.477 RESID 122 (N): H 9.162 9.162 8.606 0.556 RESID 123 (K): N 122.132 122.132 114.178 7.954 RESID 123 (K): C 173.043 173.043 177.102 -4.059 RESID 123 (K): CA 58.101 58.101 57.552 0.549 RESID 123 (K): CB 35.543 35.543 29.744 5.799 RESID 123 (K): H 7.953 7.953 8.608 -0.655 RESID 124 (V): N 123.726 123.726 113.125 10.601 RESID 124 (V): C 175.679 175.679 176.596 -0.917 RESID 124 (V): CA 64.840 64.840 64.602 0.238 RESID 124 (V): CB 42.574 42.574 31.378 11.196 RESID 124 (V): H 8.555 8.555 7.551 1.004 RESID 125 (D): N 119.607 119.607 120.011 -0.404 RESID 125 (D): C 176.566 176.566 176.887 -0.321 RESID 125 (D): CA 55.750 55.750 56.261 -0.512 RESID 125 (D): CB 40.524 40.524 41.118 -0.594 RESID 125 (D): H 7.875 7.875 8.148 -0.273 RESID 126 (I): N 116.088 116.088 120.519 -4.431 RESID 126 (I): C 177.152 177.152 176.544 0.608 RESID 126 (I): CA 66.291 66.291 61.851 4.440 RESID 126 (I): CB 39.353 39.353 38.322 1.031 RESID 126 (I): H 7.511 7.511 7.437 0.074 RESID 127 (K): N 121.203 121.203 125.382 -4.179 RESID 127 (K): C 175.979 175.979 177.098 -1.119 RESID 127 (K): CA 58.101 58.101 58.535 -0.434 RESID 127 (K): CB 35.834 35.834 32.559 3.276 RESID 127 (K): H 8.113 8.113 8.438 -0.325 RESID 128 (D): N 118.279 118.279 120.175 -1.896 RESID 128 (D): C 176.566 176.566 175.083 1.483 RESID 128 (D): CA 53.407 53.407 53.084 0.323 RESID 128 (D): CB 40.524 40.524 39.702 0.822 RESID 128 (D): H 7.241 7.241 8.185 -0.944 RESID 129 (R): N 118.943 118.943 123.679 -4.736 RESID 129 (R): C 177.738 177.738 176.258 1.480 RESID 129 (R): CA 45.794 45.794 56.436 -10.642 RESID 129 (R): CB 31.154 31.154 30.968 0.186 RESID 129 (R): H 8.423 8.423 7.791 0.632 RESID 130 (K): N 109.381 109.381 122.469 -13.088 RESID 130 (K): C 176.566 176.566 176.761 -0.195 RESID 130 (K): CA 55.164 55.164 56.636 -1.472 RESID 130 (K): CB 36.424 36.424 33.650 2.774 RESID 130 (K): H 7.296 7.296 8.406 -1.110 RESID 131 (V): N 110.377 110.377 120.877 -10.500 RESID 131 (V): C 178.617 178.617 174.674 3.943 RESID 131 (V): CA 65.705 65.705 61.462 4.243 RESID 131 (V): CB 35.839 35.839 31.642 4.197 RESID 131 (V): H 9.283 9.283 8.243 1.040 RESID 132 (K): N 110.310 110.310 127.446 -17.136 RESID 132 (K): C 176.273 176.273 177.491 -1.218 RESID 132 (K): CA 59.849 59.849 55.747 4.102 RESID 132 (K): CB 35.253 35.253 34.302 0.951 RESID 132 (K): H 9.709 9.709 8.381 1.328 RESID 133 (A): N 134.349 134.349 126.910 7.439 RESID 133 (A): CA 51.065 51.065 54.820 -3.755 RESID 133 (A): CB 12.999 12.999 18.545 -5.546 RESID 133 (A): H 6.322 6.322 8.691 -2.369 RESID 134 (K): N 117.615 117.615 118.170 -0.555 RESID 134 (K): C 176.859 176.859 178.193 -1.334 RESID 134 (K): CA 55.750 55.750 58.426 -2.676 RESID 134 (K): CB 54.579 54.579 32.479 22.100 RESID 134 (K): H 6.549 6.549 8.097 -1.548 RESID 135 (S): N 109.314 109.314 114.174 -4.860 RESID 135 (S): C 173.635 173.635 174.984 -1.349 RESID 135 (S): CA 56.336 56.336 59.743 -3.407 RESID 135 (S): CB 63.949 63.949 63.087 0.862 RESID 135 (S): H 7.840 7.840 7.715 0.125 RESID 136 (I): N 124.123 124.123 122.060 2.063 RESID 136 (I): C 175.100 175.100 176.088 -0.988 RESID 136 (I): CA 68.634 68.634 62.849 5.785 RESID 136 (I): CB 43.452 43.452 38.003 5.449 RESID 136 (I): H 8.098 8.098 7.377 0.721 RESID 137 (V): N 113.232 113.232 121.911 -8.679 RESID 137 (V): C 176.859 176.859 176.067 0.792 RESID 137 (V): CA 64.534 64.534 61.432 3.102 RESID 137 (V): CB 34.082 34.082 33.074 1.008 RESID 137 (V): H 7.711 7.711 8.048 -0.337 RESID 138 (F): N 118.279 118.279 123.344 -5.065 RESID 138 (F): C 175.393 175.393 176.276 -0.883 RESID 138 (F): CA 58.092 58.092 62.689 -4.597 RESID 138 (F): CB 39.353 39.353 39.222 0.131 RESID 138 (F): H 8.317 8.317 7.661 0.656 RESID 139 (H): N 120.605 120.605 116.092 4.513 RESID 139 (H): C 175.979 175.979 177.636 -1.657 RESID 139 (H): CA 67.775 67.775 59.438 8.337 RESID 139 (H): CB 35.836 35.836 28.696 7.140 RESID 139 (H): H 8.094 8.094 8.987 -0.893 RESID 140 (R): N 120.140 120.140 120.272 -0.132 RESID 140 (R): C 178.023 178.023 179.231 -1.208 RESID 140 (R): CA 58.394 58.394 59.280 -0.886 RESID 140 (R): CB 39.644 39.644 29.688 9.956 RESID 140 (R): H 8.149 8.149 7.001 1.148 RESID 141 (K): N 115.623 115.623 119.661 -4.038 RESID 141 (K): C 173.635 173.635 178.035 -4.400 RESID 141 (K): CA 58.092 58.092 58.812 -0.721 RESID 141 (K): CB 33.496 33.496 32.234 1.262 RESID 141 (K): H 7.449 7.449 7.529 -0.080 RESID 142 (K): N 114.162 114.162 116.126 -1.964 RESID 142 (K): C 175.979 175.979 175.938 0.041 RESID 142 (K): CA 51.065 51.065 55.063 -3.998 RESID 142 (K): CB 34.668 34.668 32.234 2.434 RESID 142 (K): H 8.982 8.982 7.800 1.182 RESID 143 (N): N 112.103 112.103 114.916 -2.813 RESID 143 (N): C 175.100 175.100 174.178 0.922 RESID 143 (N): CA 53.407 53.407 53.947 -0.540 RESID 143 (N): CB 39.938 39.938 36.454 3.484 RESID 143 (N): H 7.402 7.402 7.698 -0.296 RESID 144 (L): N 118.810 118.810 116.894 1.916 RESID 144 (L): CA 53.993 53.993 53.177 0.816 RESID 144 (L): CB 42.866 42.866 44.684 -1.818 RESID 144 (L): H 7.793 7.793 8.001 -0.208 RESID 145 (Q): N 119.607 119.607 118.141 1.466 RESID 145 (Q): C 176.859 176.859 174.087 2.772 RESID 145 (Q): CA 55.164 55.164 54.339 0.825 RESID 145 (Q): CB 29.983 29.983 31.260 -1.277 RESID 145 (Q): H 7.014 7.014 7.960 -0.946 RESID 146 (Y): N 119.275 119.275 124.749 -5.474 RESID 146 (Y): C 174.807 174.807 174.373 0.434 RESID 146 (Y): CA 62.777 62.777 56.156 6.621 RESID 146 (Y): CB 41.109 41.109 40.175 0.934 RESID 146 (Y): H 9.350 9.350 8.261 1.089 RESID 147 (Y): N 123.658 123.658 125.855 -2.197 RESID 147 (Y): C 177.738 177.738 173.846 3.892 RESID 147 (Y): CA 58.092 58.092 56.190 1.902 RESID 147 (Y): CB 39.938 39.938 41.847 -1.909 RESID 147 (Y): H 8.340 8.340 8.683 -0.343 RESID 148 (D): N 121.267 121.267 123.742 -2.475 RESID 148 (D): C 176.859 176.859 175.260 1.599 RESID 148 (D): CA 54.579 54.579 54.514 0.065 RESID 148 (D): CB 41.109 41.109 41.633 -0.524 RESID 148 (D): H 8.911 8.911 8.320 0.591 RESID 149 (I): N 119.607 119.607 118.753 0.854 RESID 149 (I): C 174.807 174.807 174.350 0.457 RESID 149 (I): CA 61.020 61.020 59.097 1.923 RESID 149 (I): CB 39.353 39.353 42.563 -3.210 RESID 149 (I): H 8.712 8.712 8.649 0.063 RESID 150 (S): N 117.349 117.349 117.046 0.303 RESID 150 (S): C 175.686 175.686 174.523 1.163 RESID 150 (S): CA 60.435 60.435 55.384 5.051 RESID 150 (S): CB 62.192 62.192 65.394 -3.202 RESID 150 (S): H 8.454 8.454 8.513 -0.059 RESID 151 (A): N 131.162 131.162 131.008 0.154 RESID 151 (A): C 160.742 160.742 179.480 -18.738 RESID 151 (A): CA 53.993 53.993 55.283 -1.290 RESID 151 (A): CB 22.369 22.369 18.876 3.493 RESID 151 (A): H 10.640 10.640 9.023 1.617 RESID 152 (K): N 121.400 121.400 118.859 2.541 RESID 152 (K): C 174.221 174.221 178.055 -3.834 RESID 152 (K): CA 59.849 59.849 58.552 1.297 RESID 152 (K): CB 34.668 34.668 32.489 2.179 RESID 152 (K): H 9.099 9.099 8.481 0.618 RESID 153 (S): N 135.212 135.212 111.389 23.823 RESID 153 (S): C 177.152 177.152 174.014 3.138 RESID 153 (S): CA 62.192 62.192 58.706 3.486 RESID 153 (S): CB 66.291 66.291 63.924 2.367 RESID 153 (S): H 8.935 8.935 7.823 1.112 RESID 154 (N): N 119.341 119.341 115.606 3.735 RESID 154 (N): C 175.979 175.979 174.109 1.870 RESID 154 (N): CA 49.894 49.894 54.703 -4.809 RESID 154 (N): CB 39.353 39.353 36.735 2.618 RESID 154 (N): H 7.488 7.488 8.217 -0.729 RESID 155 (Y): N 120.074 120.074 123.057 -2.983 RESID 155 (Y): C 177.144 177.144 175.165 1.979 RESID 155 (Y): CA 60.738 60.738 59.700 1.038 RESID 155 (Y): CB 41.402 41.402 38.879 2.523 RESID 155 (Y): H 7.945 7.945 7.590 0.355 RESID 156 (N): N 124.058 124.058 122.915 1.143 RESID 156 (N): C 175.679 175.679 174.356 1.323 RESID 156 (N): CA 53.121 53.121 54.148 -1.027 RESID 156 (N): CB 38.179 38.179 35.883 2.296 RESID 156 (N): H 8.192 8.192 8.635 -0.443 RESID 157 (F): N 123.459 123.459 118.237 5.222 RESID 157 (F): C 174.221 174.221 176.099 -1.878 RESID 157 (F): CA 57.507 57.507 60.975 -3.468 RESID 157 (F): CB 39.353 39.353 39.476 -0.123 RESID 157 (F): H 7.429 7.429 7.562 -0.133 RESID 158 (E): N 112.568 112.568 116.663 -4.095 RESID 158 (E): C 176.566 176.566 177.339 -0.773 RESID 158 (E): CA 72.147 72.147 58.192 13.955 RESID 158 (E): CB 27.640 27.640 29.075 -1.435 RESID 158 (E): H 7.495 7.495 8.761 -1.266 RESID 159 (K): N 113.232 113.232 119.685 -6.453 RESID 159 (K): C 176.566 176.566 175.487 1.079 RESID 159 (K): CA 53.993 53.993 60.946 -6.953 RESID 159 (K): CB 33.496 33.496 30.069 3.427 RESID 159 (K): H 6.862 6.862 8.108 -1.246 RESID 160 (P): C 176.273 176.273 178.462 -2.189 RESID 160 (P): CA 64.258 64.258 66.059 -1.801 RESID 160 (P): CB 32.318 32.318 30.954 1.364 RESID 161 (F): N 123.726 123.726 115.785 7.941 RESID 161 (F): C 176.851 176.851 176.607 0.244 RESID 161 (F): CA 60.445 60.445 59.892 0.553 RESID 161 (F): CB 40.816 40.816 36.741 4.075 RESID 161 (F): H 8.215 8.215 7.113 1.102 RESID 162 (L): N 110.177 110.177 120.193 -10.016 RESID 162 (L): C 176.273 176.273 178.864 -2.591 RESID 162 (L): CA 55.750 55.750 57.642 -1.892 RESID 162 (L): CB 44.037 44.037 41.107 2.930 RESID 162 (L): H 7.527 7.527 7.174 0.353 RESID 163 (W): N 123.525 123.525 121.399 2.126 RESID 163 (W): C 177.152 177.152 177.965 -0.813 RESID 163 (W): CA 61.606 61.606 62.156 -0.549 RESID 163 (W): CB 28.811 28.811 29.450 -0.639 RESID 163 (W): H 7.476 7.476 8.185 -0.709 RESID 164 (L): N 119.740 119.740 119.120 0.620 RESID 164 (L): C 175.686 175.686 178.932 -3.246 RESID 164 (L): CA 61.020 61.020 57.873 3.147 RESID 164 (L): CB 45.794 45.794 41.492 4.302 RESID 164 (L): H 9.412 9.412 8.057 1.355 RESID 165 (A): N 118.013 118.013 121.414 -3.401 RESID 165 (A): C 165.723 165.723 179.617 -13.894 RESID 165 (A): CA 52.236 52.236 55.295 -3.059 RESID 165 (A): CB 21.784 21.784 18.279 3.505 RESID 165 (A): H 7.707 7.707 8.408 -0.701 RESID 166 (R): N 122.994 122.994 118.417 4.577 RESID 166 (R): C 175.979 175.979 178.861 -2.882 RESID 166 (R): CA 49.308 49.308 59.154 -9.846 RESID 166 (R): CB 29.397 29.397 30.185 -0.788 RESID 166 (R): H 8.692 8.692 8.197 0.495 RESID 167 (K): N 112.568 112.568 120.229 -7.661 RESID 167 (K): C 176.273 176.273 179.180 -2.907 RESID 167 (K): CA 58.092 58.092 58.437 -0.345 RESID 167 (K): CB 34.668 34.668 31.425 3.243 RESID 167 (K): H 6.819 6.819 7.488 -0.669 RESID 168 (L): N 114.959 114.959 119.445 -4.486 RESID 168 (L): C 177.738 177.738 179.009 -1.271 RESID 168 (L): CA 56.921 56.921 57.531 -0.610 RESID 168 (L): CB 41.695 41.695 41.599 0.096 RESID 168 (L): H 7.269 7.269 7.739 -0.470 RESID 169 (I): N 122.199 122.199 117.283 4.916 RESID 169 (I): C 177.445 177.445 177.133 0.312 RESID 169 (I): CA 63.375 63.375 63.234 0.141 RESID 169 (I): CB 42.281 42.281 38.635 3.646 RESID 169 (I): H 8.360 8.360 8.080 0.280 RESID 170 (G): N 113.099 113.099 106.779 6.320 RESID 170 (G): C 162.496 162.496 174.006 -11.510 RESID 170 (G): CA 44.037 44.037 44.887 -0.850 RESID 170 (G): H 6.686 6.686 8.016 -1.330 RESID 171 (D): N 113.232 113.232 121.900 -8.668 RESID 171 (D): C 178.910 178.910 175.782 3.128 RESID 171 (D): CA 50.479 50.479 50.429 0.050 RESID 171 (D): CB 41.109 41.109 41.690 -0.581 RESID 171 (D): H 6.815 6.815 7.719 -0.904 RESID 172 (P): C 176.566 176.566 177.219 -0.653 RESID 172 (P): CA 63.965 63.965 64.344 -0.379 RESID 172 (P): CB 31.732 31.732 32.254 -0.522 RESID 173 (N): N 109.779 109.779 116.020 -6.241 RESID 173 (N): C 175.979 175.979 174.829 1.150 RESID 173 (N): CA 54.579 54.579 53.110 1.469 RESID 173 (N): CB 36.424 36.424 38.843 -2.420 RESID 173 (N): H 8.016 8.016 8.380 -0.364 RESID 174 (L): N 109.248 109.248 123.176 -13.928 RESID 174 (L): C 176.566 176.566 175.610 0.956 RESID 174 (L): CA 56.336 56.336 56.075 0.261 RESID 174 (L): CB 44.037 44.037 42.709 1.328 RESID 174 (L): H 7.871 7.871 7.285 0.586 RESID 175 (E): N 125.185 125.185 123.569 1.616 RESID 175 (E): C 177.445 177.445 174.824 2.621 RESID 175 (E): CA 76.247 76.247 54.117 22.130 RESID 175 (E): CB 28.811 28.811 34.069 -5.258 RESID 175 (E): H 9.127 9.127 8.032 1.095 RESID 176 (F): N 136.873 136.873 123.248 13.625 RESID 176 (F): C 178.617 178.617 175.707 2.910 RESID 176 (F): CA 59.264 59.264 58.550 0.714 RESID 176 (F): CB 44.623 44.623 40.344 4.279 RESID 176 (F): H 10.058 10.058 8.765 1.293 RESID 177 (V): N 118.877 118.877 124.088 -5.211 RESID 177 (V): C 177.445 177.445 174.175 3.270 RESID 177 (V): CA 62.777 62.777 59.058 3.719 RESID 177 (V): CB 34.668 34.668 34.145 0.523 RESID 177 (V): H 7.789 7.789 8.085 -0.296 RESID 178 (A): N 123.859 123.859 124.719 -0.860 RESID 178 (A): C 177.144 177.144 177.341 -0.197 RESID 178 (A): CA 54.000 54.000 54.523 -0.523 RESID 178 (A): CB 15.035 15.035 18.799 -3.764 RESID 178 (A): H 7.683 7.683 8.136 -0.453 RESID 179 (M): N 121.668 121.668 117.123 4.545 RESID 179 (M): C 177.144 177.144 173.461 3.683 RESID 179 (M): CA 60.445 60.445 52.935 7.510 RESID 179 (M): CB 39.351 39.351 33.355 5.997 RESID 179 (M): H 7.648 7.648 7.708 -0.060 RESID 180 (P): C 177.445 177.445 175.284 2.161 RESID 180 (P): CA 64.844 64.844 62.339 2.505 RESID 180 (P): CB 29.974 29.974 33.181 -3.207 RESID 181 (A): N 128.439 128.439 123.858 4.581 RESID 181 (A): C 176.273 176.273 177.155 -0.882 RESID 181 (A): CA 58.092 58.092 51.943 6.149 RESID 181 (A): CB 21.198 21.198 19.492 1.706 RESID 181 (A): H 8.673 8.673 8.212 0.461 RESID 182 (L): N 122.130 122.130 121.341 0.789 RESID 182 (L): C 177.445 177.445 176.847 0.598 RESID 182 (L): CA 55.164 55.164 54.294 0.870 RESID 182 (L): CB 42.866 42.866 43.761 -0.895 RESID 182 (L): H 8.821 8.821 8.452 0.369 RESID 183 (A): N 121.004 121.004 128.079 -7.075 RESID 183 (A): C 178.617 178.617 175.775 2.842 RESID 183 (A): CA 57.808 57.808 50.217 7.591 RESID 183 (A): CB 24.117 24.117 18.626 5.491 RESID 183 (A): H 8.356 8.356 8.318 0.038 RESID 184 (P): C 177.152 177.152 175.411 1.741 RESID 184 (P): CA 64.258 64.258 61.961 2.297 RESID 184 (P): CB 29.681 29.681 31.485 -1.804 RESID 185 (P): C 175.686 175.686 177.189 -1.503 RESID 185 (P): CA 63.379 63.379 62.273 1.106 RESID 185 (P): CB 35.248 35.248 32.629 2.619 RESID 186 (E): N 120.539 120.539 119.660 0.879 RESID 186 (E): C 176.273 176.273 175.927 0.346 RESID 186 (E): CA 58.101 58.101 57.723 0.378 RESID 186 (E): CB 35.836 35.836 29.835 6.001 RESID 186 (E): H 8.086 8.086 8.495 -0.409 RESID 187 (V): N 124.455 124.455 117.592 6.863 RESID 187 (V): C 178.910 178.910 174.720 4.190 RESID 187 (V): CA 63.363 63.363 62.890 0.473 RESID 187 (V): CB 34.082 34.082 31.115 2.967 RESID 187 (V): H 8.622 8.622 8.067 0.555 RESID 188 (V): N 128.572 128.572 123.586 4.986 RESID 188 (V): C 178.324 178.324 176.165 2.159 RESID 188 (V): CA 68.634 68.634 60.291 8.344 RESID 188 (V): CB 31.154 31.154 34.738 -3.584 RESID 188 (V): H 8.497 8.497 7.583 0.914 RESID 189 (M): N 122.795 122.795 117.931 4.864 RESID 189 (M): C 177.445 177.445 175.415 2.030 RESID 189 (M): CA 55.164 55.164 57.232 -2.068 RESID 189 (M): CB 35.253 35.253 31.753 3.500 RESID 189 (M): H 6.991 6.991 8.627 -1.636 RESID 190 (D): N 114.959 114.959 115.856 -0.897 RESID 190 (D): C 175.686 175.686 176.019 -0.333 RESID 190 (D): CA 51.065 51.065 54.570 -3.505 RESID 190 (D): CB 41.695 41.695 38.927 2.768 RESID 190 (D): H 7.210 7.210 8.646 -1.436 RESID 191 (P): C 176.566 176.566 177.330 -0.764 RESID 191 (P): CA 63.965 63.965 64.876 -0.911 RESID 191 (P): CB 31.146 31.146 31.850 -0.704 RESID 192 (A): N 109.513 109.513 120.878 -11.365 RESID 192 (A): CA 53.993 53.993 54.188 -0.195 RESID 192 (A): CB 19.441 19.441 18.778 0.663 RESID 192 (A): H 7.394 7.394 8.039 -0.644 RESID 193 (L): N 119.009 119.009 117.999 1.010 RESID 193 (L): C 175.979 175.979 177.032 -1.053 RESID 193 (L): CA 56.336 56.336 55.892 0.444 RESID 193 (L): CB 42.866 42.866 42.025 0.841 RESID 193 (L): H 8.340 8.340 7.894 0.446 RESID 194 (A): N 121.666 121.666 118.290 3.376 RESID 194 (A): C 166.896 166.896 178.142 -11.246 RESID 194 (A): CA 55.164 55.164 51.905 3.259 RESID 194 (A): CB 16.513 16.513 19.481 -2.968 RESID 194 (A): H 8.176 8.176 7.478 0.698 RESID 195 (A): N 119.541 119.541 120.867 -1.326 RESID 195 (A): C 173.928 173.928 178.971 -5.043 RESID 195 (A): CA 57.507 57.507 54.526 2.981 RESID 195 (A): CB 19.441 19.441 17.211 2.230 RESID 195 (A): H 8.364 8.364 8.965 -0.601 RESID 196 (Q): N 107.322 107.322 118.776 -11.454 RESID 196 (Q): C 176.273 176.273 178.041 -1.768 RESID 196 (Q): CA 56.921 56.921 58.938 -2.017 RESID 196 (Q): CB 29.983 29.983 28.723 1.260 RESID 196 (Q): H 7.910 7.910 7.807 0.103 RESID 197 (Y): N 119.277 119.277 117.996 1.281 RESID 197 (Y): C 178.316 178.316 178.502 -0.186 RESID 197 (Y): CA 56.343 56.343 61.802 -5.459 RESID 197 (Y): CB 43.453 43.453 37.873 5.580 RESID 197 (Y): H 8.180 8.180 8.323 -0.143 RESID 198 (E): N 110.244 110.244 118.841 -8.597 RESID 198 (E): C 176.273 176.273 178.789 -2.516 RESID 198 (E): CA 53.407 53.407 59.728 -6.321 RESID 198 (E): CB 30.568 30.568 29.120 1.448 RESID 198 (E): H 7.523 7.523 8.266 -0.743 RESID 199 (H): N 119.211 119.211 119.969 -0.758 RESID 199 (H): C 178.902 178.902 177.100 1.802 RESID 199 (H): CA 58.687 58.687 59.714 -1.027 RESID 199 (H): CB 34.957 34.957 30.091 4.866 RESID 199 (H): H 8.258 8.258 8.250 0.008 RESID 200 (D): N 124.722 124.722 120.400 4.322 RESID 200 (D): C 176.705 176.705 178.878 -2.173 RESID 200 (D): CA 58.687 58.687 57.378 1.309 RESID 200 (D): CB 39.644 39.644 40.359 -0.715 RESID 200 (D): H 8.086 8.086 8.138 -0.052 RESID 201 (L): N 116.353 116.353 120.231 -3.878 RESID 201 (L): C 178.910 178.910 179.034 -0.124 RESID 201 (L): CA 61.606 61.606 58.205 3.401 RESID 201 (L): CB 41.109 41.109 41.821 -0.712 RESID 201 (L): H 7.722 7.722 8.004 -0.282 RESID 202 (E): N 118.080 118.080 119.975 -1.895 RESID 202 (E): C 176.566 176.566 179.450 -2.884 RESID 202 (E): CA 56.921 56.921 59.372 -2.451 RESID 202 (E): CB 30.568 30.568 29.609 0.959 RESID 202 (E): H 8.857 8.857 8.032 0.825 RESID 203 (V): N 129.369 129.369 119.911 9.458 RESID 203 (V): C 178.617 178.617 177.707 0.910 RESID 203 (V): CA 64.534 64.534 66.457 -1.923 RESID 203 (V): CB 27.640 27.640 31.117 -3.477 RESID 203 (V): H 9.283 9.283 7.882 1.401 RESID 204 (A): N 109.580 109.580 121.867 -12.287 RESID 204 (A): C 176.859 176.859 179.462 -2.603 RESID 204 (A): CA 54.579 54.579 55.022 -0.443 RESID 204 (A): CB 18.270 18.270 18.240 0.030 RESID 204 (A): H 8.528 8.528 7.934 0.594 RESID 205 (Q): N 123.328 123.328 116.313 7.015 RESID 205 (Q): C 177.418 177.418 178.183 -0.765 RESID 205 (Q): CA 57.515 57.515 58.362 -0.848 RESID 205 (Q): CB 33.785 33.785 29.063 4.722 RESID 205 (Q): H 8.160 8.160 8.041 0.119 RESID 206 (T): N 120.271 120.271 113.942 6.329 RESID 206 (T): C 176.273 176.273 175.445 0.828 RESID 206 (T): CA 67.462 67.462 64.711 2.751 RESID 206 (T): CB 70.390 70.390 69.096 1.294 RESID 206 (T): H 7.585 7.585 7.851 -0.266 RESID 207 (T): N 111.970 111.970 118.753 -6.783 RESID 207 (T): C 176.566 176.566 173.944 2.622 RESID 207 (T): CA 64.534 64.534 63.392 1.143 RESID 207 (T): CB 72.733 72.733 69.630 3.103 RESID 207 (T): H 7.468 7.468 7.583 -0.115 RESID 208 (A): N 115.623 115.623 128.064 -12.441 RESID 208 (A): C 168.947 168.947 176.797 -7.850 RESID 208 (A): CA 55.164 55.164 52.533 2.631 RESID 208 (A): CB 22.369 22.369 19.177 3.192 RESID 208 (A): H 7.390 7.390 8.440 -1.050 RESID 209 (L): N 117.814 117.814 125.113 -7.299 RESID 209 (L): C 176.273 176.273 175.339 0.934 RESID 209 (L): CA 58.678 58.678 52.190 6.489 RESID 209 (L): CB 46.380 46.380 43.078 3.302 RESID 209 (L): H 7.652 7.652 8.161 -0.509 RESID 210 (P): C 176.566 176.566 175.766 0.800 RESID 210 (P): CA 63.086 63.086 62.238 0.848 RESID 210 (P): CB 31.146 31.146 32.409 -1.263 RESID 211 (D): N 122.863 122.863 119.480 3.383 RESID 211 (D): C 175.686 175.686 175.874 -0.188 RESID 211 (D): CA 56.343 56.343 55.193 1.151 RESID 211 (D): CB 41.402 41.402 41.236 0.166 RESID 211 (D): H 8.360 8.360 8.279 0.081 RESID 212 (E): N 131.162 131.162 124.866 6.296 RESID 212 (E): C 176.273 176.273 176.125 0.148 RESID 212 (E): CA 55.164 55.164 57.497 -2.333 RESID 212 (E): CB 30.568 30.568 31.433 -0.865 RESID 212 (E): H 8.399 8.399 8.784 -0.385 RESID 213 (D): N 122.797 122.797 115.496 7.301 RESID 213 (D): C 177.152 177.152 177.243 -0.091 RESID 213 (D): CA 61.914 61.914 53.604 8.310 RESID 213 (D): CB 49.607 49.607 41.068 8.539 RESID 213 (D): H 8.168 8.168 8.356 -0.188 RESID 214 (D): N 112.369 112.369 121.662 -9.293 RESID 214 (D): C 178.910 178.910 177.257 1.653 RESID 214 (D): CA 54.579 54.579 56.950 -2.371 RESID 214 (D): CB 39.353 39.353 40.434 -1.081 RESID 214 (D): H 7.464 7.464 8.153 -0.689 RESID 215 (D): N 127.244 127.244 118.933 8.311 RESID 215 (D): C 176.859 176.859 177.012 -0.153 RESID 215 (D): CA 54.579 54.579 56.080 -1.501 RESID 215 (D): CB 40.524 40.524 41.279 -0.755 RESID 215 (D): H 8.301 8.301 8.089 0.212 N HA C CA CB H RESID 3 (A): 4.045 ----- -2.630 -4.543 0.485 0.473 RESID 4 (Q): 1.313 ----- -0.853 -1.976 -2.136 0.679 RESID 5 (G): 14.687 ----- 8.199 1.046 ----- 0.181 RESID 6 (E): 7.239 ----- 1.711 3.167 -1.599 1.392 RESID 7 (P): ----- ----- -0.649 -1.060 -1.103 ----- RESID 8 (Q): -0.744 ----- 2.121 -5.716 -2.985 -1.957 RESID 9 (V): -0.573 ----- 4.716 2.589 -0.662 -1.193 RESID 10 (Q): -9.214 ----- 1.711 1.285 -3.968 -0.155 RESID 11 (F): -5.959 ----- 1.750 3.512 -0.949 -0.706 RESID 12 (K): 3.620 ----- 3.592 1.811 ----- 1.186 RESID 13 (L): -18.191 ----- 3.075 1.018 -2.500 -2.254 RESID 14 (V): -0.809 ----- 1.201 9.170 -4.543 -0.653 RESID 15 (L): -2.412 ----- 2.636 2.559 ----- -1.324 RESID 16 (V): -0.368 ----- 3.930 4.835 0.694 0.104 RESID 17 (G): 20.979 ----- 1.480 -2.447 ----- 2.768 RESID 18 (D): 3.767 ----- -0.641 3.204 3.985 -0.118 RESID 19 (G): 14.113 ----- 3.516 -3.435 ----- 0.220 RESID 20 (G): 17.192 ----- -1.605 -3.839 ----- 0.367 RESID 21 (T): 5.651 ----- -3.656 -4.149 -4.174 0.608 RESID 22 (G): 6.501 ----- 9.610 0.093 ----- -1.498 RESID 23 (K): 1.527 ----- 0.643 -1.718 7.889 -1.031 RESID 24 (T): 0.191 ----- 1.491 -5.154 3.350 -0.060 RESID 25 (T): -9.112 ----- 2.129 -2.900 3.019 0.188 RESID 26 (F): -8.293 ----- -2.555 -8.588 1.459 -0.743 RESID 27 (V): 3.167 ----- 0.172 0.443 -2.075 -1.292 RESID 28 (K): -5.419 ----- -2.070 -1.817 2.126 -0.761 RESID 29 (R): -7.974 ----- -4.681 12.891 7.562 -1.358 RESID 30 (H): 4.717 ----- -5.280 -7.815 1.130 -0.184 RESID 31 (L): -9.225 ----- -0.742 -2.535 0.121 -0.396 RESID 32 (T): 15.360 ----- -4.843 1.781 4.923 0.057 RESID 33 (G): 17.716 ----- -12.159 -2.012 ----- 1.964 RESID 34 (E): 0.615 ----- -0.544 2.168 3.633 0.688 RESID 35 (F): -7.330 ----- -1.026 -7.739 0.830 -1.539 RESID 36 (E): -4.604 ----- -0.301 3.985 17.068 -0.462 RESID 37 (K): -6.176 ----- -3.708 -9.060 3.694 -0.091 RESID 38 (K): -12.463 ----- 0.823 3.675 1.735 -0.016 RESID 39 (Y): -17.532 ----- 1.029 2.812 -2.868 -1.232 RESID 40 (V): -9.994 ----- 1.338 1.044 -3.902 0.628 RESID 42 (T): -2.456 ----- 4.865 -2.211 0.504 -0.256 RESID 43 (L): -9.389 ----- -2.980 3.422 -0.065 0.789 RESID 44 (G): 0.339 ----- 6.098 8.754 ----- -1.639 RESID 45 (V): -12.635 ----- 0.134 2.718 -17.589 0.245 RESID 46 (E): 3.581 ----- 2.610 0.616 0.115 1.030 RESID 47 (V): 1.009 ----- 0.629 2.402 5.355 1.259 RESID 48 (H): 2.357 ----- -3.571 -3.274 -4.331 1.552 RESID 49 (P): ----- ----- 0.494 -0.313 -2.208 ----- RESID 50 (L): -8.112 ----- 2.359 5.330 -2.747 -1.409 RESID 51 (V): -4.905 ----- -0.432 3.176 4.102 -0.380 RESID 52 (F): -1.794 ----- 0.616 -0.061 -1.994 -0.182 RESID 53 (H): -2.105 ----- -4.817 -0.884 -0.808 -0.859 RESID 54 (T): -3.613 ----- 2.583 3.873 1.046 -0.917 RESID 55 (N): 10.659 ----- -0.308 -4.841 -1.361 1.531 RESID 56 (R): 4.066 ----- -1.045 5.623 2.280 -0.571 RESID 57 (G): 20.051 ----- 3.821 -1.967 ----- 1.653 RESID 58 (P): ----- ----- 1.355 2.091 -3.136 ----- RESID 59 (I): 6.857 ----- 1.657 4.939 -2.116 -0.178 RESID 60 (K): 2.389 ----- 3.993 19.904 -3.802 -0.630 RESID 61 (F): -5.095 ----- 0.480 0.829 0.237 -1.949 RESID 62 (N): 0.813 ----- -0.620 0.748 2.063 -0.763 RESID 63 (V): -21.118 ----- 0.136 -1.313 -1.451 -0.654 RESID 64 (W): -0.200 ----- 2.061 3.526 -0.656 -0.531 RESID 65 (D): -6.125 ----- -1.256 2.061 -1.981 -0.394 RESID 66 (T): 4.488 ----- 4.382 8.325 0.372 -0.131 RESID 67 (A): -18.030 ----- -0.548 -2.992 -5.713 0.637 RESID 68 (G): 5.289 ----- 13.567 -0.949 ----- 1.985 RESID 69 (Q): 2.849 ----- -1.703 0.817 2.666 -0.210 RESID 70 (E): -5.376 ----- 0.630 1.037 -1.532 1.363 RESID 71 (K): -6.219 ----- -0.164 -7.542 4.087 0.400 RESID 72 (F): -5.639 ----- -0.675 -2.552 -2.602 -0.155 RESID 73 (G): 5.930 ----- -6.573 -2.522 ----- -0.364 RESID 74 (G): 12.328 ----- -1.817 -2.714 ----- 0.635 RESID 75 (L): 5.544 ----- 0.871 -3.369 0.246 -0.177 RESID 76 (R): 0.347 ----- -0.250 3.768 1.821 -0.384 RESID 77 (D): 8.841 ----- -0.715 -5.404 1.360 1.449 RESID 78 (G): 20.191 ----- -2.358 -2.403 ----- -0.116 RESID 79 (Y): 1.802 ----- -1.010 -0.092 2.662 1.203 RESID 80 (Y): 4.675 ----- 0.224 3.133 2.475 0.708 RESID 81 (I): -1.086 ----- 1.452 4.058 3.126 0.919 RESID 82 (Q): -1.731 ----- -0.860 3.286 3.888 -0.801 RESID 83 (A): -9.931 ----- -1.247 2.078 -2.652 -1.154 RESID 84 (Q): -0.685 ----- 1.074 3.626 3.783 -0.389 RESID 85 (C): 8.678 ----- 3.802 9.353 7.803 0.483 RESID 86 (A): -7.853 ----- ----- 6.769 -1.170 -1.817 RESID 87 (I): -0.554 ----- -0.714 0.971 -1.511 -0.378 RESID 88 (I): -7.258 ----- -1.261 4.292 -2.256 -3.481 RESID 89 (M): -5.460 ----- 2.803 4.749 0.104 -0.521 RESID 90 (F): 2.412 ----- 2.088 4.747 -3.700 0.534 RESID 91 (D): -1.210 ----- -0.394 8.033 1.295 -1.246 RESID 92 (V): -8.482 ----- -3.264 -0.477 6.242 -0.793 RESID 93 (T): 16.924 ----- 4.405 1.222 5.152 -0.606 RESID 94 (S): 6.280 ----- -11.134 4.509 -2.175 -0.201 RESID 95 (R): -15.542 ----- -1.629 -6.204 1.130 -0.975 RESID 96 (V): 5.648 ----- 0.326 2.168 -7.245 1.090 RESID 97 (T): -4.368 ----- 1.846 -2.509 1.422 0.326 RESID 98 (Y): -8.062 ----- -1.371 ----- ----- -0.192 RESID 99 (K): 4.855 ----- -0.143 -0.723 4.064 0.292 RESID 100 (N): -4.301 ----- -0.801 -1.307 -0.786 -2.105 RESID 101 (V): -2.820 ----- -1.394 -5.668 -2.236 -0.172 RESID 102 (P): ----- ----- -0.623 -3.033 -0.175 ----- RESID 103 (N): 7.520 ----- -2.123 -0.477 1.576 0.607 RESID 104 (W): 2.462 ----- -3.454 -1.215 5.210 0.147 RESID 105 (H): 3.973 ----- 3.279 ----- ----- -1.475 RESID 106 (R): 3.765 ----- 0.111 5.245 -2.010 -0.340 RESID 107 (D): -2.738 ----- -1.897 -2.701 0.696 1.163 RESID 108 (L): -6.522 ----- -2.102 0.974 7.277 -1.181 RESID 109 (V): 2.699 ----- -3.006 -2.402 1.788 1.105 RESID 110 (R): -7.631 ----- -1.691 -1.621 0.401 -0.609 RESID 111 (V): -1.368 ----- 0.423 -6.306 0.176 -0.134 RESID 112 (C): -1.174 ----- -4.625 -1.198 6.731 -0.858 RESID 113 (E): -1.967 ----- 0.663 10.610 2.557 -1.168 RESID 114 (N): 7.325 ----- 0.077 -0.871 1.648 0.508 RESID 115 (I): -9.620 ----- 1.736 7.794 -0.755 1.332 RESID 116 (P): ----- ----- 0.223 -0.077 -2.799 ----- RESID 117 (I): -0.264 ----- -0.344 5.973 -3.525 -0.804 RESID 118 (V): -6.716 ----- 3.512 2.066 -2.846 -0.081 RESID 119 (L): -7.621 ----- 1.982 -10.977 -4.962 -1.411 RESID 120 (C): -9.174 ----- 3.771 ----- ----- -0.788 RESID 121 (G): 3.907 ----- 4.009 -2.620 ----- -1.392 RESID 122 (N): 1.466 ----- -0.085 0.499 -1.477 0.556 RESID 123 (K): 7.954 ----- -4.059 0.549 5.799 -0.655 RESID 124 (V): 10.601 ----- -0.917 0.238 11.196 1.004 RESID 125 (D): -0.404 ----- -0.321 -0.512 -0.594 -0.273 RESID 126 (I): -4.431 ----- 0.608 4.440 1.031 0.074 RESID 127 (K): -4.179 ----- -1.119 -0.434 3.276 -0.325 RESID 128 (D): -1.896 ----- 1.483 0.323 0.822 -0.944 RESID 129 (R): -4.736 ----- 1.480 -10.642 0.186 0.632 RESID 130 (K): -13.088 ----- -0.195 -1.472 2.774 -1.110 RESID 131 (V): -10.500 ----- 3.943 4.243 4.197 1.040 RESID 132 (K): -17.136 ----- -1.218 4.102 0.951 1.328 RESID 133 (A): 7.439 ----- ----- -3.755 -5.546 -2.369 RESID 134 (K): -0.555 ----- -1.334 -2.676 22.100 -1.548 RESID 135 (S): -4.860 ----- -1.349 -3.407 0.862 0.125 RESID 136 (I): 2.063 ----- -0.988 5.785 5.449 0.721 RESID 137 (V): -8.679 ----- 0.792 3.102 1.008 -0.337 RESID 138 (F): -5.065 ----- -0.883 -4.597 0.131 0.656 RESID 139 (H): 4.513 ----- -1.657 8.337 7.140 -0.893 RESID 140 (R): -0.132 ----- -1.208 -0.886 9.956 1.148 RESID 141 (K): -4.038 ----- -4.400 -0.721 1.262 -0.080 RESID 142 (K): -1.964 ----- 0.041 -3.998 2.434 1.182 RESID 143 (N): -2.813 ----- 0.922 -0.540 3.484 -0.296 RESID 144 (L): 1.916 ----- ----- 0.816 -1.818 -0.208 RESID 145 (Q): 1.466 ----- 2.772 0.825 -1.277 -0.946 RESID 146 (Y): -5.474 ----- 0.434 6.621 0.934 1.089 RESID 147 (Y): -2.197 ----- 3.892 1.902 -1.909 -0.343 RESID 148 (D): -2.475 ----- 1.599 0.065 -0.524 0.591 RESID 149 (I): 0.854 ----- 0.457 1.923 -3.210 0.063 RESID 150 (S): 0.303 ----- 1.163 5.051 -3.202 -0.059 RESID 151 (A): 0.154 ----- -18.738 -1.290 3.493 1.617 RESID 152 (K): 2.541 ----- -3.834 1.297 2.179 0.618 RESID 153 (S): 23.823 ----- 3.138 3.486 2.367 1.112 RESID 154 (N): 3.735 ----- 1.870 -4.809 2.618 -0.729 RESID 155 (Y): -2.983 ----- 1.979 1.038 2.523 0.355 RESID 156 (N): 1.143 ----- 1.323 -1.027 2.296 -0.443 RESID 157 (F): 5.222 ----- -1.878 -3.468 -0.123 -0.133 RESID 158 (E): -4.095 ----- -0.773 13.955 -1.435 -1.266 RESID 159 (K): -6.453 ----- 1.079 -6.953 3.427 -1.246 RESID 160 (P): ----- ----- -2.189 -1.801 1.364 ----- RESID 161 (F): 7.941 ----- 0.244 0.553 4.075 1.102 RESID 162 (L): -10.016 ----- -2.591 -1.892 2.930 0.353 RESID 163 (W): 2.126 ----- -0.813 -0.549 -0.639 -0.709 RESID 164 (L): 0.620 ----- -3.246 3.147 4.302 1.355 RESID 165 (A): -3.401 ----- -13.894 -3.059 3.505 -0.701 RESID 166 (R): 4.577 ----- -2.882 -9.846 -0.788 0.495 RESID 167 (K): -7.661 ----- -2.907 -0.345 3.243 -0.669 RESID 168 (L): -4.486 ----- -1.271 -0.610 0.096 -0.470 RESID 169 (I): 4.916 ----- 0.312 0.141 3.646 0.280 RESID 170 (G): 6.320 ----- -11.510 -0.850 ----- -1.330 RESID 171 (D): -8.668 ----- 3.128 0.050 -0.581 -0.904 RESID 172 (P): ----- ----- -0.653 -0.379 -0.522 ----- RESID 173 (N): -6.241 ----- 1.150 1.469 -2.420 -0.364 RESID 174 (L): -13.928 ----- 0.956 0.261 1.328 0.586 RESID 175 (E): 1.616 ----- 2.621 22.130 -5.258 1.095 RESID 176 (F): 13.625 ----- 2.910 0.714 4.279 1.293 RESID 177 (V): -5.211 ----- 3.270 3.719 0.523 -0.296 RESID 178 (A): -0.860 ----- -0.197 -0.523 -3.764 -0.453 RESID 179 (M): 4.545 ----- 3.683 7.510 5.997 -0.060 RESID 180 (P): ----- ----- 2.161 2.505 -3.207 ----- RESID 181 (A): 4.581 ----- -0.882 6.149 1.706 0.461 RESID 182 (L): 0.789 ----- 0.598 0.870 -0.895 0.369 RESID 183 (A): -7.075 ----- 2.842 7.591 5.491 0.038 RESID 184 (P): ----- ----- 1.741 2.297 -1.804 ----- RESID 185 (P): ----- ----- -1.503 1.106 2.619 ----- RESID 186 (E): 0.879 ----- 0.346 0.378 6.001 -0.409 RESID 187 (V): 6.863 ----- 4.190 0.473 2.967 0.555 RESID 188 (V): 4.986 ----- 2.159 8.344 -3.584 0.914 RESID 189 (M): 4.864 ----- 2.030 -2.068 3.500 -1.636 RESID 190 (D): -0.897 ----- -0.333 -3.505 2.768 -1.436 RESID 191 (P): ----- ----- -0.764 -0.911 -0.704 ----- RESID 192 (A): -11.365 ----- ----- -0.195 0.663 -0.644 RESID 193 (L): 1.010 ----- -1.053 0.444 0.841 0.446 RESID 194 (A): 3.376 ----- -11.246 3.259 -2.968 0.698 RESID 195 (A): -1.326 ----- -5.043 2.981 2.230 -0.601 RESID 196 (Q): -11.454 ----- -1.768 -2.017 1.260 0.103 RESID 197 (Y): 1.281 ----- -0.186 -5.459 5.580 -0.143 RESID 198 (E): -8.597 ----- -2.516 -6.321 1.448 -0.743 RESID 199 (H): -0.758 ----- 1.802 -1.027 4.866 0.008 RESID 200 (D): 4.322 ----- -2.173 1.309 -0.715 -0.052 RESID 201 (L): -3.878 ----- -0.124 3.401 -0.712 -0.282 RESID 202 (E): -1.895 ----- -2.884 -2.451 0.959 0.825 RESID 203 (V): 9.458 ----- 0.910 -1.923 -3.477 1.401 RESID 204 (A): -12.287 ----- -2.603 -0.443 0.030 0.594 RESID 205 (Q): 7.015 ----- -0.765 -0.848 4.722 0.119 RESID 206 (T): 6.329 ----- 0.828 2.751 1.294 -0.266 RESID 207 (T): -6.783 ----- 2.622 1.143 3.103 -0.115 RESID 208 (A): -12.441 ----- -7.850 2.631 3.192 -1.050 RESID 209 (L): -7.299 ----- 0.934 6.489 3.302 -0.509 RESID 210 (P): ----- ----- 0.800 0.848 -1.263 ----- RESID 211 (D): 3.383 ----- -0.188 1.151 0.166 0.081 RESID 212 (E): 6.296 ----- 0.148 -2.333 -0.865 -0.385 RESID 213 (D): 7.301 ----- -0.091 8.310 8.539 -0.188 RESID 214 (D): -9.293 ----- 1.653 -2.371 -1.081 -0.689 RESID 215 (D): 8.311 ----- -0.153 -1.501 -0.755 0.212 DATA CS_STAT_INFO N RMS: 7.689 ppm Count: 201 Average Difference: 0.468 +/- 7.694 ppm DATA CS_STAT_INFO HA RMS: 0.451 ppm Count: 28 Average Difference: -0.341 +/- 0.300 ppm DATA CS_STAT_INFO C RMS: 3.503 ppm Count: 209 Average Difference: 0.111 +/- 3.509 ppm DATA CS_STAT_INFO CA RMS: 4.599 ppm Count: 210 Average Difference: -0.651 +/- 4.564 ppm DATA CS_STAT_INFO CB RMS: 4.039 ppm Count: 194 Average Difference: -0.947 +/- 3.937 ppm DATA CS_STAT_INFO HN RMS: 0.951 ppm Count: 201 Average Difference: 0.102 +/- 0.948 ppm ############################################################################ For conformer 8: Atom Original Corrected SPARTA Difference RESID 2 (A): N 131.228 131.228 124.706 6.522 RESID 2 (A): C 187.031 187.031 178.994 8.037 RESID 2 (A): CA 53.407 53.407 55.006 -1.599 RESID 2 (A): CB 20.027 20.027 18.306 1.721 RESID 2 (A): H 10.644 10.644 8.365 2.279 RESID 3 (A): N 124.521 124.521 120.367 4.154 RESID 3 (A): C 176.566 176.566 179.038 -2.472 RESID 3 (A): CA 49.894 49.894 54.428 -4.534 RESID 3 (A): CB 18.270 18.270 18.347 -0.077 RESID 3 (A): H 8.669 8.669 7.826 0.843 RESID 4 (Q): N 118.080 118.080 115.700 2.380 RESID 4 (Q): C 176.273 176.273 176.856 -0.583 RESID 4 (Q): CA 54.579 54.579 56.995 -2.416 RESID 4 (Q): CB 27.054 27.054 29.554 -2.500 RESID 4 (Q): H 8.919 8.919 8.167 0.752 RESID 5 (G): N 121.002 121.002 105.188 15.814 RESID 5 (G): C 181.877 181.877 173.360 8.517 RESID 5 (G): CA 45.794 45.794 44.677 1.117 RESID 5 (G): H 8.082 8.082 7.827 0.255 RESID 6 (E): N 129.435 129.435 121.270 8.165 RESID 6 (E): C 176.566 176.566 175.005 1.561 RESID 6 (E): CA 56.336 56.336 52.946 3.390 RESID 6 (E): CB 28.811 28.811 30.107 -1.296 RESID 6 (E): H 9.267 9.267 7.787 1.480 RESID 7 (P): C 176.566 176.566 177.111 -0.545 RESID 7 (P): CA 63.672 63.672 65.158 -1.486 RESID 7 (P): CB 31.146 31.146 32.665 -1.519 RESID 8 (Q): N 112.502 112.502 114.839 -2.337 RESID 8 (Q): C 177.445 177.445 175.345 2.100 RESID 8 (Q): CA 50.479 50.479 56.232 -5.753 RESID 8 (Q): CB 28.811 28.811 31.408 -2.597 RESID 8 (Q): H 6.220 6.220 7.957 -1.737 RESID 9 (V): N 117.416 117.416 118.356 -0.940 RESID 9 (V): C 178.324 178.324 173.547 4.777 RESID 9 (V): CA 63.363 63.363 61.135 2.228 RESID 9 (V): CB 34.668 34.668 34.995 -0.327 RESID 9 (V): H 6.561 6.561 7.658 -1.097 RESID 10 (Q): N 113.896 113.896 123.280 -9.384 RESID 10 (Q): C 176.273 176.273 174.558 1.715 RESID 10 (Q): CA 55.164 55.164 54.009 1.155 RESID 10 (Q): CB 28.226 28.226 32.396 -4.170 RESID 10 (Q): H 7.847 7.847 8.088 -0.241 RESID 11 (F): N 118.744 118.744 124.114 -5.370 RESID 11 (F): C 176.566 176.566 174.750 1.816 RESID 11 (F): CA 59.849 59.849 56.101 3.748 RESID 11 (F): CB 41.109 41.109 41.947 -0.838 RESID 11 (F): H 8.262 8.262 8.838 -0.576 RESID 12 (K): N 129.437 129.437 125.789 3.648 RESID 12 (K): C 178.609 178.609 174.779 3.830 RESID 12 (K): CA 57.808 57.808 55.637 2.171 RESID 12 (K): H 10.015 10.015 8.774 1.241 RESID 13 (L): N 112.103 112.103 129.582 -17.479 RESID 13 (L): C 177.738 177.738 174.613 3.125 RESID 13 (L): CA 54.579 54.579 53.443 1.136 RESID 13 (L): CB 42.866 42.866 45.955 -3.089 RESID 13 (L): H 6.905 6.905 8.963 -2.058 RESID 14 (V): N 127.310 127.310 126.728 0.582 RESID 14 (V): C 175.393 175.393 174.119 1.274 RESID 14 (V): CA 70.976 70.976 61.699 9.277 RESID 14 (V): CB 28.811 28.811 33.461 -4.650 RESID 14 (V): H 8.305 8.305 8.722 -0.417 RESID 15 (L): N 128.640 128.640 130.987 -2.347 RESID 15 (L): C 177.730 177.730 175.087 2.643 RESID 15 (L): CA 55.758 55.758 53.219 2.539 RESID 15 (L): H 7.718 7.718 9.042 -1.324 RESID 16 (V): N 121.267 121.267 121.749 -0.482 RESID 16 (V): C 178.324 178.324 174.413 3.911 RESID 16 (V): CA 63.363 63.363 58.533 4.830 RESID 16 (V): CB 35.839 35.839 35.127 0.712 RESID 16 (V): H 8.935 8.935 8.832 0.103 RESID 17 (G): N 127.908 127.908 107.076 20.832 RESID 17 (G): C 174.514 174.514 173.273 1.241 RESID 17 (G): CA 42.281 42.281 44.621 -2.340 RESID 17 (G): H 9.682 9.682 6.855 2.827 RESID 18 (D): N 125.054 125.054 121.362 3.692 RESID 18 (D): C 176.851 176.851 177.552 -0.701 RESID 18 (D): CA 57.515 57.515 54.455 3.060 RESID 18 (D): CB 46.090 46.090 42.042 4.048 RESID 18 (D): H 8.282 8.282 8.435 -0.153 RESID 19 (G): N 120.670 120.670 106.619 14.051 RESID 19 (G): C 178.324 178.324 174.928 3.396 RESID 19 (G): CA 42.281 42.281 45.784 -3.503 RESID 19 (G): H 8.825 8.825 8.608 0.217 RESID 20 (G): N 129.369 129.369 112.217 17.152 RESID 20 (G): C 174.221 174.221 175.671 -1.450 RESID 20 (G): CA 41.695 41.695 45.559 -3.864 RESID 20 (G): H 8.477 8.477 8.507 -0.030 RESID 21 (T): N 122.199 122.199 116.500 5.699 RESID 21 (T): C 171.291 171.291 174.919 -3.628 RESID 21 (T): CA 61.914 61.914 66.052 -4.138 RESID 21 (T): CB 65.137 65.137 69.340 -4.203 RESID 21 (T): H 8.059 8.059 7.487 0.573 RESID 22 (G): N 112.369 112.369 106.331 6.038 RESID 22 (G): C 184.807 184.807 175.257 9.550 RESID 22 (G): CA 45.209 45.209 45.338 -0.129 RESID 22 (G): H 6.772 6.772 8.316 -1.544 RESID 23 (K): N 122.066 122.066 120.387 1.679 RESID 23 (K): C 178.589 178.589 177.922 0.667 RESID 23 (K): CA 58.101 58.101 59.158 -1.057 RESID 23 (K): CB 40.230 40.230 31.934 8.296 RESID 23 (K): H 7.441 7.441 8.355 -0.914 RESID 24 (T): N 114.627 114.627 115.107 -0.480 RESID 24 (T): C 178.324 178.324 176.694 1.630 RESID 24 (T): CA 62.192 62.192 67.184 -4.992 RESID 24 (T): CB 71.562 71.562 68.160 3.402 RESID 24 (T): H 8.469 8.469 8.504 -0.035 RESID 25 (T): N 110.377 110.377 119.784 -9.407 RESID 25 (T): C 178.324 178.324 176.331 1.993 RESID 25 (T): CA 64.534 64.534 67.313 -2.779 RESID 25 (T): CB 71.562 71.562 68.580 2.982 RESID 25 (T): H 8.415 8.415 8.288 0.127 RESID 26 (F): N 114.295 114.295 122.700 -8.405 RESID 26 (F): C 174.514 174.514 177.337 -2.823 RESID 26 (F): CA 53.407 53.407 62.043 -8.636 RESID 26 (F): CB 40.524 40.524 39.183 1.341 RESID 26 (F): H 7.707 7.707 8.578 -0.871 RESID 27 (V): N 123.525 123.525 120.875 2.650 RESID 27 (V): C 178.031 178.031 177.793 0.238 RESID 27 (V): CA 67.462 67.462 67.165 0.297 RESID 27 (V): CB 29.397 29.397 31.542 -2.145 RESID 27 (V): H 6.967 6.967 8.442 -1.475 RESID 28 (K): N 114.228 114.228 119.881 -5.653 RESID 28 (K): C 176.566 176.566 178.253 -1.687 RESID 28 (K): CA 58.092 58.092 59.010 -0.918 RESID 28 (K): CB 34.082 34.082 32.051 2.031 RESID 28 (K): H 7.429 7.429 8.253 -0.824 RESID 29 (R): N 112.037 112.037 119.093 -7.056 RESID 29 (R): C 174.221 174.221 179.283 -5.062 RESID 29 (R): CA 72.147 72.147 59.257 12.890 RESID 29 (R): CB 37.596 37.596 29.817 7.779 RESID 29 (R): H 6.803 6.803 8.146 -1.343 RESID 30 (H): N 122.396 122.396 118.456 3.940 RESID 30 (H): C 172.170 172.170 177.220 -5.050 RESID 30 (H): CA 51.651 51.651 59.509 -7.858 RESID 30 (H): CB 30.568 30.568 29.478 1.090 RESID 30 (H): H 7.644 7.644 7.998 -0.354 RESID 31 (L): N 110.377 110.377 119.588 -9.211 RESID 31 (L): C 178.031 178.031 178.718 -0.687 RESID 31 (L): CA 55.164 55.164 57.679 -2.515 RESID 31 (L): CB 42.281 42.281 42.179 0.102 RESID 31 (L): H 7.894 7.894 8.259 -0.365 RESID 32 (T): N 121.468 121.468 106.031 15.437 RESID 32 (T): C 170.705 170.705 175.502 -4.797 RESID 32 (T): CA 63.668 63.668 61.835 1.833 RESID 32 (T): CB 75.679 75.679 70.768 4.911 RESID 32 (T): H 8.372 8.372 8.239 0.133 RESID 33 (G): N 127.841 127.841 110.167 17.674 RESID 33 (G): C 161.914 161.914 173.893 -11.979 RESID 33 (G): CA 42.866 42.866 44.779 -1.913 RESID 33 (G): H 9.662 9.662 7.707 1.955 RESID 34 (E): N 120.871 120.871 120.272 0.599 RESID 34 (E): C 174.508 174.508 174.880 -0.372 RESID 34 (E): CA 58.101 58.101 55.890 2.211 RESID 34 (E): CB 34.371 34.371 30.640 3.731 RESID 34 (E): H 8.211 8.211 7.366 0.845 RESID 35 (F): N 111.838 111.838 120.147 -8.309 RESID 35 (F): C 174.221 174.221 175.313 -1.092 RESID 35 (F): CA 49.308 49.308 56.990 -7.682 RESID 35 (F): CB 41.695 41.695 41.131 0.564 RESID 35 (F): H 6.772 6.772 8.354 -1.582 RESID 36 (E): N 120.672 120.672 124.433 -3.761 RESID 36 (E): C 175.686 175.686 175.998 -0.312 RESID 36 (E): CA 58.980 58.980 55.334 3.646 RESID 36 (E): CB 48.140 48.140 30.347 17.793 RESID 36 (E): H 8.293 8.293 8.691 -0.398 RESID 37 (K): N 118.810 118.810 125.062 -6.252 RESID 37 (K): C 172.756 172.756 177.218 -4.462 RESID 37 (K): CA 48.137 48.137 58.225 -10.088 RESID 37 (K): CB 37.010 37.010 32.983 4.027 RESID 37 (K): H 8.509 8.509 8.484 0.025 RESID 38 (K): N 108.052 108.052 119.877 -11.825 RESID 38 (K): C 176.273 176.273 175.664 0.609 RESID 38 (K): CA 59.849 59.849 56.099 3.750 RESID 38 (K): CB 34.668 34.668 33.006 1.662 RESID 38 (K): H 7.715 7.715 7.972 -0.257 RESID 39 (Y): N 108.650 108.650 123.820 -15.170 RESID 39 (Y): C 175.686 175.686 175.822 -0.136 RESID 39 (Y): CA 61.020 61.020 58.155 2.865 RESID 39 (Y): CB 36.424 36.424 39.457 -3.033 RESID 39 (Y): H 7.362 7.362 8.555 -1.193 RESID 40 (V): N 117.947 117.947 124.450 -6.503 RESID 40 (V): C 175.393 175.393 175.634 -0.241 RESID 40 (V): CA 61.020 61.020 61.573 -0.553 RESID 40 (V): CB 31.154 31.154 33.592 -2.438 RESID 40 (V): H 8.442 8.442 8.577 -0.135 RESID 42 (T): N 117.150 117.150 117.290 -0.140 RESID 42 (T): C 178.910 178.910 174.035 4.875 RESID 42 (T): CA 60.435 60.435 62.848 -2.413 RESID 42 (T): CB 70.390 70.390 69.573 0.817 RESID 42 (T): H 8.192 8.192 8.337 -0.145 RESID 43 (L): N 119.209 119.209 128.001 -8.792 RESID 43 (L): C 174.807 174.807 177.772 -2.965 RESID 43 (L): CA 57.507 57.507 54.267 3.240 RESID 43 (L): CB 42.866 42.866 42.896 -0.030 RESID 43 (L): H 9.260 9.260 8.495 0.765 RESID 44 (G): N 114.361 114.361 113.051 1.310 RESID 44 (G): C 178.910 178.910 172.797 6.113 RESID 44 (G): CA 54.579 54.579 45.839 8.740 RESID 44 (G): H 6.979 6.979 8.637 -1.658 RESID 45 (V): N 110.244 110.244 122.870 -12.626 RESID 45 (V): C 174.807 174.807 175.089 -0.282 RESID 45 (V): CA 63.363 63.363 60.806 2.557 RESID 45 (V): CB 17.099 17.099 34.549 -17.450 RESID 45 (V): H 8.309 8.309 7.987 0.322 RESID 46 (E): N 130.365 130.365 127.176 3.189 RESID 46 (E): C 176.859 176.859 174.751 2.108 RESID 46 (E): CA 55.164 55.164 54.948 0.216 RESID 46 (E): CB 32.325 32.325 32.255 0.070 RESID 46 (E): H 9.741 9.741 8.939 0.802 RESID 47 (V): N 125.254 125.254 125.202 0.052 RESID 47 (V): C 175.661 175.661 174.837 0.824 RESID 47 (V): CA 63.375 63.375 61.623 1.752 RESID 47 (V): CB 37.300 37.300 31.921 5.379 RESID 47 (V): H 8.250 8.250 7.917 0.333 RESID 48 (H): N 129.236 129.236 126.861 2.375 RESID 48 (H): C 169.240 169.240 172.995 -3.755 RESID 48 (H): CA 49.894 49.894 53.492 -3.598 RESID 48 (H): CB 27.640 27.640 32.854 -5.214 RESID 48 (H): H 10.390 10.390 9.286 1.104 RESID 49 (P): C 176.273 176.273 175.906 0.367 RESID 49 (P): CA 62.500 62.500 62.682 -0.182 RESID 49 (P): CB 29.974 29.974 32.752 -2.778 RESID 50 (L): N 119.408 119.408 124.393 -4.985 RESID 50 (L): C 177.445 177.445 175.769 1.676 RESID 50 (L): CA 59.264 59.264 53.949 5.315 RESID 50 (L): CB 42.281 42.281 45.828 -3.547 RESID 50 (L): H 7.492 7.492 8.797 -1.305 RESID 51 (V): N 117.947 117.947 122.317 -4.370 RESID 51 (V): C 174.514 174.514 175.264 -0.750 RESID 51 (V): CA 64.534 64.534 61.891 2.643 RESID 51 (V): CB 37.010 37.010 32.792 4.218 RESID 51 (V): H 7.715 7.715 8.289 -0.574 RESID 52 (F): N 124.853 124.853 126.841 -1.988 RESID 52 (F): C 175.100 175.100 174.401 0.699 RESID 52 (F): CA 56.336 56.336 56.813 -0.477 RESID 52 (F): CB 39.938 39.938 42.472 -2.534 RESID 52 (F): H 8.935 8.935 9.258 -0.323 RESID 53 (H): N 120.603 120.603 122.899 -2.296 RESID 53 (H): C 170.119 170.119 175.027 -4.908 RESID 53 (H): CA 55.164 55.164 55.968 -0.804 RESID 53 (H): CB 30.568 30.568 31.408 -0.840 RESID 53 (H): H 8.356 8.356 9.211 -0.855 RESID 54 (T): N 112.634 112.634 116.526 -3.892 RESID 54 (T): C 178.910 178.910 176.296 2.614 RESID 54 (T): CA 63.363 63.363 59.409 3.954 RESID 54 (T): CB 72.733 72.733 71.550 1.183 RESID 54 (T): H 7.574 7.574 8.455 -0.881 RESID 55 (N): N 131.095 131.095 120.252 10.843 RESID 55 (N): C 176.273 176.273 176.453 -0.180 RESID 55 (N): CA 51.065 51.065 55.798 -4.734 RESID 55 (N): CB 37.010 37.010 38.205 -1.195 RESID 55 (N): H 10.187 10.187 8.594 1.593 RESID 56 (R): N 122.064 122.064 118.041 4.023 RESID 56 (R): C 175.100 175.100 176.414 -1.314 RESID 56 (R): CA 61.606 61.606 55.453 6.153 RESID 56 (R): CB 32.911 32.911 30.050 2.861 RESID 56 (R): H 7.433 7.433 7.862 -0.429 RESID 57 (G): N 127.709 127.709 107.967 19.742 RESID 57 (G): C 175.979 175.979 171.770 4.209 RESID 57 (G): CA 42.281 42.281 44.338 -2.057 RESID 57 (G): H 9.373 9.373 7.684 1.689 RESID 58 (P): C 177.152 177.152 175.807 1.345 RESID 58 (P): CA 65.137 65.137 63.264 1.873 RESID 58 (P): CB 29.095 29.095 31.901 -2.806 RESID 59 (I): N 128.638 128.638 122.615 6.023 RESID 59 (I): C 175.979 175.979 174.600 1.379 RESID 59 (I): CA 65.120 65.120 60.016 5.104 RESID 59 (I): CB 40.524 40.524 42.817 -2.293 RESID 59 (I): H 8.794 8.794 8.834 -0.040 RESID 60 (K): N 127.711 127.711 123.307 4.404 RESID 60 (K): C 178.902 178.902 175.565 3.337 RESID 60 (K): CA 74.293 74.293 54.498 19.795 RESID 60 (K): CB 32.027 32.027 35.355 -3.328 RESID 60 (K): H 8.024 8.024 8.562 -0.538 RESID 61 (F): N 120.670 120.670 123.434 -2.764 RESID 61 (F): C 175.393 175.393 175.343 0.050 RESID 61 (F): CA 57.507 57.507 57.220 0.287 RESID 61 (F): CB 41.109 41.109 40.718 0.391 RESID 61 (F): H 7.515 7.515 9.573 -2.058 RESID 62 (N): N 124.789 124.789 124.191 0.598 RESID 62 (N): C 173.336 173.336 174.377 -1.041 RESID 62 (N): CA 53.121 53.121 52.224 0.897 RESID 62 (N): CB 41.695 41.695 39.141 2.554 RESID 62 (N): H 8.325 8.325 9.191 -0.866 RESID 63 (V): N 106.127 106.127 127.721 -21.594 RESID 63 (V): C 175.100 175.100 175.392 -0.292 RESID 63 (V): CA 61.020 61.020 62.853 -1.833 RESID 63 (V): CB 31.154 31.154 32.944 -1.790 RESID 63 (V): H 8.113 8.113 9.009 -0.896 RESID 64 (W): N 129.302 129.302 129.532 -0.230 RESID 64 (W): C 177.152 177.152 175.444 1.708 RESID 64 (W): CA 59.264 59.264 53.974 5.290 RESID 64 (W): CB 29.397 29.397 29.648 -0.251 RESID 64 (W): H 8.970 8.970 9.512 -0.542 RESID 65 (D): N 119.607 119.607 126.062 -6.455 RESID 65 (D): C 174.514 174.514 175.754 -1.240 RESID 65 (D): CA 55.164 55.164 53.239 1.925 RESID 65 (D): CB 41.109 41.109 42.999 -1.890 RESID 65 (D): H 8.638 8.638 9.191 -0.553 RESID 66 (T): N 122.463 122.463 117.968 4.495 RESID 66 (T): C 178.617 178.617 174.362 4.255 RESID 66 (T): CA 68.048 68.048 59.742 8.306 RESID 66 (T): CB 71.562 71.562 71.171 0.390 RESID 66 (T): H 8.293 8.293 8.328 -0.035 RESID 67 (A): N 104.865 104.865 122.874 -18.009 RESID 67 (A): C 177.738 177.738 177.980 -0.242 RESID 67 (A): CA 48.722 48.722 51.415 -2.693 RESID 67 (A): CB 14.171 14.171 19.972 -5.801 RESID 67 (A): H 8.657 8.657 8.001 0.656 RESID 68 (G): N 115.357 115.357 110.537 4.820 RESID 68 (G): C 189.533 189.533 176.163 13.370 RESID 68 (G): CA 45.209 45.209 46.225 -1.016 RESID 68 (G): H 10.969 10.969 9.061 1.908 RESID 69 (Q): N 122.730 122.730 119.804 2.926 RESID 69 (Q): C 174.508 174.508 176.005 -1.497 RESID 69 (Q): CA 58.394 58.394 57.818 0.576 RESID 69 (Q): CB 31.441 31.441 28.710 2.731 RESID 69 (Q): H 8.336 8.336 8.439 -0.103 RESID 70 (E): N 114.826 114.826 119.312 -4.486 RESID 70 (E): C 176.273 176.273 176.066 0.207 RESID 70 (E): CA 57.507 57.507 56.313 1.194 RESID 70 (E): CB 28.811 28.811 30.322 -1.511 RESID 70 (E): H 9.651 9.651 8.236 1.415 RESID 71 (K): N 116.685 116.685 122.427 -5.742 RESID 71 (K): C 175.979 175.979 176.720 -0.741 RESID 71 (K): CA 48.722 48.722 55.277 -6.555 RESID 71 (K): CB 37.010 37.010 32.797 4.213 RESID 71 (K): H 8.712 8.712 8.329 0.383 RESID 72 (F): N 114.959 114.959 119.774 -4.815 RESID 72 (F): C 175.686 175.686 176.495 -0.809 RESID 72 (F): CA 56.336 56.336 58.972 -2.636 RESID 72 (F): CB 36.424 36.424 38.873 -2.449 RESID 72 (F): H 7.965 7.965 7.973 -0.008 RESID 73 (G): N 117.084 117.084 111.255 5.829 RESID 73 (G): C 168.068 168.068 174.856 -6.788 RESID 73 (G): CA 42.281 42.281 44.748 -2.467 RESID 73 (G): H 7.609 7.609 7.796 -0.187 RESID 74 (G): N 120.537 120.537 108.087 12.450 RESID 74 (G): C 174.514 174.514 176.299 -1.785 RESID 74 (G): CA 44.037 44.037 46.701 -2.664 RESID 74 (G): H 9.326 9.326 8.701 0.625 RESID 75 (L): N 127.177 127.177 121.904 5.273 RESID 75 (L): C 178.617 178.617 177.738 0.879 RESID 75 (L): CA 53.407 53.407 56.617 -3.210 RESID 75 (L): CB 42.281 42.281 42.033 0.248 RESID 75 (L): H 7.628 7.628 7.806 -0.178 RESID 76 (R): N 116.486 116.486 116.936 -0.450 RESID 76 (R): C 176.859 176.859 177.259 -0.400 RESID 76 (R): CA 59.264 59.264 56.527 2.737 RESID 76 (R): CB 31.154 31.154 29.676 1.478 RESID 76 (R): H 7.143 7.143 7.410 -0.267 RESID 77 (D): N 129.236 129.236 120.887 8.349 RESID 77 (D): C 177.152 177.152 178.050 -0.898 RESID 77 (D): CA 52.822 52.822 58.578 -5.756 RESID 77 (D): CB 41.695 41.695 40.492 1.202 RESID 77 (D): H 8.947 8.947 7.569 1.378 RESID 78 (G): N 127.244 127.244 107.167 20.077 RESID 78 (G): C 173.928 173.928 176.051 -2.123 RESID 78 (G): CA 44.623 44.623 47.136 -2.513 RESID 78 (G): H 8.219 8.219 8.414 -0.195 RESID 79 (Y): N 120.537 120.537 118.143 2.394 RESID 79 (Y): C 176.273 176.273 177.420 -1.147 RESID 79 (Y): CA 58.678 58.678 58.903 -0.225 RESID 79 (Y): CB 40.524 40.524 38.070 2.454 RESID 79 (Y): H 8.563 8.563 7.580 0.983 RESID 80 (Y): N 122.132 122.132 117.128 5.004 RESID 80 (Y): C 175.979 175.979 175.757 0.222 RESID 80 (Y): CA 62.203 62.203 58.889 3.314 RESID 80 (Y): CB 41.988 41.988 39.425 2.563 RESID 80 (Y): H 8.254 8.254 7.703 0.551 RESID 81 (I): N 120.072 120.072 120.386 -0.314 RESID 81 (I): C 177.445 177.445 175.651 1.794 RESID 81 (I): CA 67.462 67.462 63.390 4.072 RESID 81 (I): CB 41.109 41.109 37.986 3.123 RESID 81 (I): H 8.837 8.837 7.772 1.065 RESID 82 (Q): N 121.601 121.601 119.828 1.773 RESID 82 (Q): C 173.342 173.342 174.323 -0.981 RESID 82 (Q): CA 59.859 59.859 56.246 3.612 RESID 82 (Q): CB 30.855 30.855 25.907 4.948 RESID 82 (Q): H 8.184 8.184 8.894 -0.710 RESID 83 (A): N 109.713 109.713 120.326 -10.613 RESID 83 (A): C 175.979 175.979 177.011 -1.032 RESID 83 (A): CA 54.579 54.579 52.319 2.260 RESID 83 (A): CB 16.513 16.513 19.232 -2.719 RESID 83 (A): H 6.306 6.306 7.307 -1.001 RESID 84 (Q): N 121.203 121.203 120.373 0.830 RESID 84 (Q): C 177.144 177.144 176.017 1.127 RESID 84 (Q): CA 60.152 60.152 56.233 3.919 RESID 84 (Q): CB 34.957 34.957 30.825 4.132 RESID 84 (Q): H 8.180 8.180 8.668 -0.488 RESID 85 (C): N 120.605 120.605 111.683 8.922 RESID 85 (C): C 176.566 176.566 172.646 3.920 RESID 85 (C): CA 65.430 65.430 56.149 9.281 RESID 85 (C): CB 39.644 39.644 31.578 8.066 RESID 85 (C): H 8.364 8.364 7.721 0.643 RESID 86 (A): N 114.295 114.295 121.924 -7.629 RESID 86 (A): CA 57.507 57.507 50.572 6.935 RESID 86 (A): CB 21.784 21.784 22.953 -1.169 RESID 86 (A): H 6.897 6.897 8.742 -1.845 RESID 87 (I): N 120.670 120.670 120.763 -0.093 RESID 87 (I): C 173.928 173.928 174.654 -0.726 RESID 87 (I): CA 61.020 61.020 59.971 1.049 RESID 87 (I): CB 39.938 39.938 41.231 -1.293 RESID 87 (I): H 8.282 8.282 8.600 -0.318 RESID 88 (I): N 120.205 120.205 127.058 -6.853 RESID 88 (I): C 173.635 173.635 174.355 -0.720 RESID 88 (I): CA 64.534 64.534 60.120 4.414 RESID 88 (I): CB 37.596 37.596 40.193 -2.597 RESID 88 (I): H 5.528 5.528 9.006 -3.478 RESID 89 (M): N 120.472 120.472 127.200 -6.728 RESID 89 (M): C 178.617 178.617 174.789 3.828 RESID 89 (M): CA 58.980 58.980 53.847 5.133 RESID 89 (M): CB 34.957 34.957 35.912 -0.955 RESID 89 (M): H 8.176 8.176 8.582 -0.406 RESID 90 (F): N 121.134 121.134 121.049 0.085 RESID 90 (F): C 175.393 175.393 173.103 2.290 RESID 90 (F): CA 60.435 60.435 55.654 4.781 RESID 90 (F): CB 38.767 38.767 42.349 -3.582 RESID 90 (F): H 9.334 9.334 8.862 0.472 RESID 91 (D): N 120.273 120.273 121.378 -1.105 RESID 91 (D): C 177.730 177.730 178.157 -0.427 RESID 91 (D): CA 59.859 59.859 51.896 7.963 RESID 91 (D): CB 44.039 44.039 42.534 1.505 RESID 91 (D): H 7.597 7.597 8.863 -1.266 RESID 92 (V): N 115.158 115.158 123.714 -8.556 RESID 92 (V): C 173.342 173.342 176.537 -3.195 RESID 92 (V): CA 64.534 64.534 65.004 -0.471 RESID 92 (V): CB 37.596 37.596 31.385 6.211 RESID 92 (V): H 7.738 7.738 8.535 -0.797 RESID 93 (T): N 127.179 127.179 110.012 17.167 RESID 93 (T): C 178.902 178.902 174.098 4.804 RESID 93 (T): CA 64.254 64.254 63.003 1.251 RESID 93 (T): CB 74.215 74.215 69.018 5.197 RESID 93 (T): H 7.636 7.636 8.215 -0.579 RESID 94 (S): N 122.263 122.263 115.695 6.568 RESID 94 (S): C 163.965 163.965 175.215 -11.250 RESID 94 (S): CA 59.849 59.849 55.262 4.587 RESID 94 (S): CB 62.192 62.192 64.401 -2.209 RESID 94 (S): H 7.628 7.628 7.785 -0.158 RESID 95 (R): N 113.099 113.099 128.202 -15.103 RESID 95 (R): C 176.273 176.273 178.003 -1.730 RESID 95 (R): CA 53.407 53.407 59.641 -6.234 RESID 95 (R): CB 31.154 31.154 30.119 1.035 RESID 95 (R): H 8.102 8.102 9.041 -0.939 RESID 96 (V): N 124.787 124.787 119.248 5.539 RESID 96 (V): C 178.031 178.031 177.756 0.275 RESID 96 (V): CA 68.634 68.634 66.504 2.130 RESID 96 (V): CB 24.126 24.126 31.375 -7.248 RESID 96 (V): H 9.146 9.146 8.032 1.114 RESID 97 (T): N 111.970 111.970 116.430 -4.460 RESID 97 (T): C 178.031 178.031 176.310 1.721 RESID 97 (T): CA 63.949 63.949 66.469 -2.520 RESID 97 (T): CB 70.390 70.390 68.982 1.408 RESID 97 (T): H 7.984 7.984 7.618 0.366 RESID 98 (Y): N 113.232 113.232 121.439 -8.207 RESID 98 (Y): C 176.273 176.273 177.687 -1.414 RESID 98 (Y): H 7.605 7.605 7.834 -0.229 RESID 99 (K): N 123.726 123.726 118.824 4.902 RESID 99 (K): C 178.316 178.316 178.533 -0.217 RESID 99 (K): CA 58.691 58.691 59.455 -0.764 RESID 99 (K): CB 36.127 36.127 32.060 4.067 RESID 99 (K): H 8.360 8.360 8.040 0.320 RESID 100 (N): N 111.970 111.970 116.236 -4.266 RESID 100 (N): C 175.979 175.979 176.778 -0.799 RESID 100 (N): CA 53.407 53.407 55.180 -1.773 RESID 100 (N): CB 37.596 37.596 38.742 -1.146 RESID 100 (N): H 5.778 5.778 7.853 -2.075 RESID 101 (V): N 118.877 118.877 121.615 -2.738 RESID 101 (V): C 173.635 173.635 174.976 -1.341 RESID 101 (V): CA 62.777 62.777 68.415 -5.638 RESID 101 (V): CB 27.054 27.054 29.222 -2.168 RESID 101 (V): H 7.370 7.370 7.512 -0.142 RESID 102 (P): C 176.566 176.566 177.236 -0.670 RESID 102 (P): CA 62.500 62.500 65.443 -2.943 RESID 102 (P): CB 30.853 30.853 31.152 -0.299 RESID 103 (N): N 122.728 122.728 114.838 7.890 RESID 103 (N): C 175.100 175.100 176.925 -1.825 RESID 103 (N): CA 54.579 54.579 54.434 0.145 RESID 103 (N): CB 38.767 38.767 37.357 1.410 RESID 103 (N): H 7.879 7.879 7.312 0.567 RESID 104 (W): N 122.730 122.730 120.176 2.554 RESID 104 (W): C 174.215 174.215 177.644 -3.429 RESID 104 (W): CA 59.273 59.273 60.478 -1.205 RESID 104 (W): CB 35.250 35.250 29.997 5.253 RESID 104 (W): H 7.902 7.902 7.685 0.217 RESID 105 (H): N 120.869 120.869 116.942 3.927 RESID 105 (H): C 177.738 177.738 174.435 3.303 RESID 105 (H): H 6.971 6.971 8.400 -1.429 RESID 106 (R): N 126.314 126.314 122.683 3.631 RESID 106 (R): C 176.566 176.566 176.377 0.189 RESID 106 (R): CA 62.777 62.777 57.550 5.228 RESID 106 (R): CB 29.397 29.397 31.294 -1.897 RESID 106 (R): H 7.507 7.507 7.811 -0.304 RESID 107 (D): N 119.076 119.076 121.795 -2.719 RESID 107 (D): C 176.566 176.566 178.444 -1.878 RESID 107 (D): CA 55.164 55.164 57.808 -2.644 RESID 107 (D): CB 41.695 41.695 40.991 0.704 RESID 107 (D): H 9.076 9.076 7.970 1.106 RESID 108 (L): N 113.299 113.299 119.851 -6.552 RESID 108 (L): C 176.273 176.273 178.347 -2.074 RESID 108 (L): CA 59.264 59.264 58.223 1.041 RESID 108 (L): CB 48.722 48.722 41.379 7.343 RESID 108 (L): H 6.725 6.725 7.851 -1.126 RESID 109 (V): N 121.267 121.267 118.598 2.669 RESID 109 (V): C 175.393 175.393 178.383 -2.990 RESID 109 (V): CA 63.949 63.949 66.384 -2.435 RESID 109 (V): CB 32.911 32.911 31.105 1.806 RESID 109 (V): H 8.763 8.763 7.670 1.093 RESID 110 (R): N 112.900 112.900 120.693 -7.793 RESID 110 (R): C 176.273 176.273 178.015 -1.742 RESID 110 (R): CA 57.507 57.507 59.557 -2.050 RESID 110 (R): CB 30.568 30.568 30.204 0.364 RESID 110 (R): H 7.241 7.241 7.850 -0.609 RESID 111 (V): N 115.556 115.556 116.977 -1.421 RESID 111 (V): C 177.445 177.445 177.075 0.370 RESID 111 (V): CA 59.849 59.849 66.098 -6.249 RESID 111 (V): CB 32.911 32.911 32.777 0.134 RESID 111 (V): H 7.566 7.566 7.707 -0.141 RESID 112 (C): N 114.295 114.295 115.428 -1.133 RESID 112 (C): C 169.826 169.826 174.475 -4.649 RESID 112 (C): CA 57.507 57.507 58.743 -1.236 RESID 112 (C): CB 35.839 35.839 28.783 7.056 RESID 112 (C): H 7.425 7.425 8.288 -0.863 RESID 113 (E): N 116.486 116.486 118.256 -1.770 RESID 113 (E): C 176.566 176.566 175.603 0.963 RESID 113 (E): CA 69.219 69.219 58.527 10.692 RESID 113 (E): CB 30.568 30.568 28.214 2.354 RESID 113 (E): H 7.241 7.241 8.288 -1.047 RESID 114 (N): N 129.302 129.302 121.049 8.253 RESID 114 (N): C 175.100 175.100 174.881 0.219 RESID 114 (N): CA 52.236 52.236 53.100 -0.864 RESID 114 (N): CB 39.938 39.938 38.187 1.751 RESID 114 (N): H 8.919 8.919 8.321 0.598 RESID 115 (I): N 110.443 110.443 119.945 -9.502 RESID 115 (I): C 175.100 175.100 173.371 1.729 RESID 115 (I): CA 65.705 65.705 57.890 7.815 RESID 115 (I): CB 39.353 39.353 40.086 -0.733 RESID 115 (I): H 9.287 9.287 7.936 1.351 RESID 116 (P): C 175.979 175.979 175.724 0.255 RESID 116 (P): CA 63.086 63.086 63.171 -0.085 RESID 116 (P): CB 29.681 29.681 32.472 -2.792 RESID 117 (I): N 123.591 123.591 124.106 -0.515 RESID 117 (I): C 174.807 174.807 175.062 -0.255 RESID 117 (I): CA 66.291 66.291 60.330 5.961 RESID 117 (I): CB 38.767 38.767 42.232 -3.465 RESID 117 (I): H 7.781 7.781 8.584 -0.803 RESID 118 (V): N 119.009 119.009 125.842 -6.833 RESID 118 (V): C 178.324 178.324 174.715 3.609 RESID 118 (V): CA 62.777 62.777 60.706 2.071 RESID 118 (V): CB 31.154 31.154 34.110 -2.956 RESID 118 (V): H 8.767 8.767 8.807 -0.040 RESID 119 (L): N 119.408 119.408 126.743 -7.335 RESID 119 (L): C 178.031 178.031 176.014 2.017 RESID 119 (L): CA 42.866 42.866 53.799 -10.933 RESID 119 (L): CB 38.767 38.767 43.919 -5.152 RESID 119 (L): H 7.734 7.734 9.195 -1.461 RESID 120 (C): N 113.232 113.232 122.300 -9.068 RESID 120 (C): C 178.031 178.031 174.248 3.783 RESID 120 (C): H 8.317 8.317 9.171 -0.854 RESID 121 (G): N 117.349 117.349 113.449 3.900 RESID 121 (G): C 176.851 176.851 172.817 4.034 RESID 121 (G): CA 41.109 41.109 43.648 -2.539 RESID 121 (G): H 7.515 7.515 8.977 -1.462 RESID 122 (N): N 125.318 125.318 123.995 1.323 RESID 122 (N): C 175.686 175.686 175.747 -0.061 RESID 122 (N): CA 50.479 50.479 49.944 0.535 RESID 122 (N): CB 39.353 39.353 40.957 -1.604 RESID 122 (N): H 9.162 9.162 8.648 0.514 RESID 123 (K): N 122.132 122.132 114.081 8.051 RESID 123 (K): C 173.043 173.043 177.062 -4.019 RESID 123 (K): CA 58.101 58.101 57.606 0.495 RESID 123 (K): CB 35.543 35.543 29.834 5.710 RESID 123 (K): H 7.953 7.953 8.668 -0.715 RESID 124 (V): N 123.726 123.726 113.144 10.582 RESID 124 (V): C 175.679 175.679 176.438 -0.759 RESID 124 (V): CA 64.840 64.840 64.564 0.275 RESID 124 (V): CB 42.574 42.574 31.454 11.120 RESID 124 (V): H 8.555 8.555 7.515 1.040 RESID 125 (D): N 119.607 119.607 119.850 -0.243 RESID 125 (D): C 176.566 176.566 176.745 -0.179 RESID 125 (D): CA 55.750 55.750 56.501 -0.751 RESID 125 (D): CB 40.524 40.524 41.025 -0.501 RESID 125 (D): H 7.875 7.875 8.183 -0.308 RESID 126 (I): N 116.088 116.088 120.558 -4.470 RESID 126 (I): C 177.152 177.152 176.441 0.711 RESID 126 (I): CA 66.291 66.291 61.935 4.356 RESID 126 (I): CB 39.353 39.353 38.302 1.051 RESID 126 (I): H 7.511 7.511 7.384 0.127 RESID 127 (K): N 121.203 121.203 125.466 -4.263 RESID 127 (K): C 175.979 175.979 176.958 -0.979 RESID 127 (K): CA 58.101 58.101 58.592 -0.491 RESID 127 (K): CB 35.834 35.834 32.571 3.263 RESID 127 (K): H 8.113 8.113 8.434 -0.321 RESID 128 (D): N 118.279 118.279 120.352 -2.073 RESID 128 (D): C 176.566 176.566 175.051 1.515 RESID 128 (D): CA 53.407 53.407 53.192 0.215 RESID 128 (D): CB 40.524 40.524 39.743 0.780 RESID 128 (D): H 7.241 7.241 8.172 -0.931 RESID 129 (R): N 118.943 118.943 122.632 -3.689 RESID 129 (R): C 177.738 177.738 176.355 1.383 RESID 129 (R): CA 45.794 45.794 56.260 -10.466 RESID 129 (R): CB 31.154 31.154 31.411 -0.257 RESID 129 (R): H 8.423 8.423 7.853 0.570 RESID 130 (K): N 109.381 109.381 122.034 -12.653 RESID 130 (K): C 176.566 176.566 176.849 -0.283 RESID 130 (K): CA 55.164 55.164 57.772 -2.608 RESID 130 (K): CB 36.424 36.424 33.856 2.568 RESID 130 (K): H 7.296 7.296 8.529 -1.233 RESID 131 (V): N 110.377 110.377 121.034 -10.657 RESID 131 (V): C 178.617 178.617 174.904 3.713 RESID 131 (V): CA 65.705 65.705 61.791 3.914 RESID 131 (V): CB 35.839 35.839 31.446 4.393 RESID 131 (V): H 9.283 9.283 8.003 1.280 RESID 132 (K): N 110.310 110.310 127.859 -17.549 RESID 132 (K): C 176.273 176.273 177.337 -1.064 RESID 132 (K): CA 59.849 59.849 55.431 4.418 RESID 132 (K): CB 35.253 35.253 33.981 1.272 RESID 132 (K): H 9.709 9.709 8.324 1.385 RESID 133 (A): N 134.349 134.349 127.799 6.550 RESID 133 (A): CA 51.065 51.065 54.985 -3.920 RESID 133 (A): CB 12.999 12.999 18.523 -5.524 RESID 133 (A): H 6.322 6.322 8.853 -2.531 RESID 134 (K): N 117.615 117.615 118.128 -0.513 RESID 134 (K): C 176.859 176.859 178.073 -1.214 RESID 134 (K): CA 55.750 55.750 58.642 -2.892 RESID 134 (K): CB 54.579 54.579 32.256 22.323 RESID 134 (K): H 6.549 6.549 8.319 -1.770 RESID 135 (S): N 109.314 109.314 114.241 -4.927 RESID 135 (S): C 173.635 173.635 174.917 -1.282 RESID 135 (S): CA 56.336 56.336 59.673 -3.337 RESID 135 (S): CB 63.949 63.949 63.118 0.831 RESID 135 (S): H 7.840 7.840 7.832 0.008 RESID 136 (I): N 124.123 124.123 122.068 2.055 RESID 136 (I): C 175.100 175.100 175.876 -0.776 RESID 136 (I): CA 68.634 68.634 62.582 6.052 RESID 136 (I): CB 43.452 43.452 38.312 5.141 RESID 136 (I): H 8.098 8.098 7.261 0.837 RESID 137 (V): N 113.232 113.232 122.062 -8.830 RESID 137 (V): C 176.859 176.859 176.035 0.824 RESID 137 (V): CA 64.534 64.534 61.272 3.262 RESID 137 (V): CB 34.082 34.082 32.607 1.475 RESID 137 (V): H 7.711 7.711 7.912 -0.201 RESID 138 (F): N 118.279 118.279 123.354 -5.075 RESID 138 (F): C 175.393 175.393 176.271 -0.878 RESID 138 (F): CA 58.092 58.092 62.724 -4.633 RESID 138 (F): CB 39.353 39.353 39.206 0.147 RESID 138 (F): H 8.317 8.317 7.634 0.683 RESID 139 (H): N 120.605 120.605 116.039 4.566 RESID 139 (H): C 175.979 175.979 177.088 -1.109 RESID 139 (H): CA 67.775 67.775 59.330 8.445 RESID 139 (H): CB 35.836 35.836 28.977 6.859 RESID 139 (H): H 8.094 8.094 8.879 -0.785 RESID 140 (R): N 120.140 120.140 120.367 -0.227 RESID 140 (R): C 178.023 178.023 179.224 -1.201 RESID 140 (R): CA 58.394 58.394 59.329 -0.935 RESID 140 (R): CB 39.644 39.644 29.692 9.952 RESID 140 (R): H 8.149 8.149 6.987 1.162 RESID 141 (K): N 115.623 115.623 119.618 -3.995 RESID 141 (K): C 173.635 173.635 178.026 -4.391 RESID 141 (K): CA 58.092 58.092 58.791 -0.699 RESID 141 (K): CB 33.496 33.496 32.216 1.280 RESID 141 (K): H 7.449 7.449 7.551 -0.102 RESID 142 (K): N 114.162 114.162 116.159 -1.997 RESID 142 (K): C 175.979 175.979 175.916 0.063 RESID 142 (K): CA 51.065 51.065 54.998 -3.933 RESID 142 (K): CB 34.668 34.668 32.188 2.479 RESID 142 (K): H 8.982 8.982 7.781 1.201 RESID 143 (N): N 112.103 112.103 114.700 -2.597 RESID 143 (N): C 175.100 175.100 174.127 0.973 RESID 143 (N): CA 53.407 53.407 53.951 -0.544 RESID 143 (N): CB 39.938 39.938 36.476 3.462 RESID 143 (N): H 7.402 7.402 7.702 -0.300 RESID 144 (L): N 118.810 118.810 116.832 1.978 RESID 144 (L): CA 53.993 53.993 53.271 0.722 RESID 144 (L): CB 42.866 42.866 44.425 -1.559 RESID 144 (L): H 7.793 7.793 8.083 -0.290 RESID 145 (Q): N 119.607 119.607 117.866 1.741 RESID 145 (Q): C 176.859 176.859 174.151 2.708 RESID 145 (Q): CA 55.164 55.164 53.540 1.624 RESID 145 (Q): CB 29.983 29.983 30.931 -0.948 RESID 145 (Q): H 7.014 7.014 7.984 -0.970 RESID 146 (Y): N 119.275 119.275 124.987 -5.712 RESID 146 (Y): C 174.807 174.807 174.243 0.564 RESID 146 (Y): CA 62.777 62.777 56.056 6.721 RESID 146 (Y): CB 41.109 41.109 40.308 0.801 RESID 146 (Y): H 9.350 9.350 8.170 1.180 RESID 147 (Y): N 123.658 123.658 125.861 -2.203 RESID 147 (Y): C 177.738 177.738 173.861 3.877 RESID 147 (Y): CA 58.092 58.092 56.194 1.898 RESID 147 (Y): CB 39.938 39.938 41.865 -1.927 RESID 147 (Y): H 8.340 8.340 8.751 -0.411 RESID 148 (D): N 121.267 121.267 123.681 -2.414 RESID 148 (D): C 176.859 176.859 175.204 1.655 RESID 148 (D): CA 54.579 54.579 54.416 0.163 RESID 148 (D): CB 41.109 41.109 41.667 -0.558 RESID 148 (D): H 8.911 8.911 8.289 0.622 RESID 149 (I): N 119.607 119.607 118.512 1.095 RESID 149 (I): C 174.807 174.807 174.370 0.437 RESID 149 (I): CA 61.020 61.020 59.105 1.915 RESID 149 (I): CB 39.353 39.353 42.674 -3.321 RESID 149 (I): H 8.712 8.712 8.708 0.004 RESID 150 (S): N 117.349 117.349 116.958 0.391 RESID 150 (S): C 175.686 175.686 174.483 1.203 RESID 150 (S): CA 60.435 60.435 55.730 4.705 RESID 150 (S): CB 62.192 62.192 65.389 -3.197 RESID 150 (S): H 8.454 8.454 8.515 -0.061 RESID 151 (A): N 131.162 131.162 130.898 0.264 RESID 151 (A): C 160.742 160.742 179.261 -18.519 RESID 151 (A): CA 53.993 53.993 55.404 -1.411 RESID 151 (A): CB 22.369 22.369 19.102 3.267 RESID 151 (A): H 10.640 10.640 8.958 1.682 RESID 152 (K): N 121.400 121.400 118.824 2.576 RESID 152 (K): C 174.221 174.221 178.097 -3.876 RESID 152 (K): CA 59.849 59.849 58.733 1.116 RESID 152 (K): CB 34.668 34.668 32.466 2.202 RESID 152 (K): H 9.099 9.099 8.501 0.598 RESID 153 (S): N 135.212 135.212 110.805 24.407 RESID 153 (S): C 177.152 177.152 174.829 2.323 RESID 153 (S): CA 62.192 62.192 58.118 4.074 RESID 153 (S): CB 66.291 66.291 64.204 2.087 RESID 153 (S): H 8.935 8.935 7.773 1.162 RESID 154 (N): N 119.341 119.341 116.535 2.806 RESID 154 (N): C 175.979 175.979 174.019 1.960 RESID 154 (N): CA 49.894 49.894 54.728 -4.834 RESID 154 (N): CB 39.353 39.353 36.499 2.854 RESID 154 (N): H 7.488 7.488 8.203 -0.715 RESID 155 (Y): N 120.074 120.074 123.104 -3.030 RESID 155 (Y): C 177.144 177.144 175.294 1.850 RESID 155 (Y): CA 60.738 60.738 59.550 1.188 RESID 155 (Y): CB 41.402 41.402 38.693 2.709 RESID 155 (Y): H 7.945 7.945 7.517 0.428 RESID 156 (N): N 124.058 124.058 122.467 1.591 RESID 156 (N): C 175.679 175.679 175.590 0.089 RESID 156 (N): CA 53.121 53.121 54.256 -1.135 RESID 156 (N): CB 38.179 38.179 35.981 2.198 RESID 156 (N): H 8.192 8.192 8.964 -0.772 RESID 157 (F): N 123.459 123.459 119.943 3.516 RESID 157 (F): C 174.221 174.221 175.791 -1.570 RESID 157 (F): CA 57.507 57.507 61.219 -3.712 RESID 157 (F): CB 39.353 39.353 39.289 0.064 RESID 157 (F): H 7.429 7.429 7.779 -0.350 RESID 158 (E): N 112.568 112.568 114.609 -2.041 RESID 158 (E): C 176.566 176.566 177.467 -0.901 RESID 158 (E): CA 72.147 72.147 56.406 15.741 RESID 158 (E): CB 27.640 27.640 28.953 -1.313 RESID 158 (E): H 7.495 7.495 8.478 -0.983 RESID 159 (K): N 113.232 113.232 120.498 -7.266 RESID 159 (K): C 176.566 176.566 175.661 0.905 RESID 159 (K): CA 53.993 53.993 61.507 -7.514 RESID 159 (K): CB 33.496 33.496 30.169 3.328 RESID 159 (K): H 6.862 6.862 7.317 -0.455 RESID 160 (P): C 176.273 176.273 178.560 -2.287 RESID 160 (P): CA 64.258 64.258 65.654 -1.397 RESID 160 (P): CB 32.318 32.318 31.145 1.173 RESID 161 (F): N 123.726 123.726 116.102 7.624 RESID 161 (F): C 176.851 176.851 177.555 -0.704 RESID 161 (F): CA 60.445 60.445 61.942 -1.497 RESID 161 (F): CB 40.816 40.816 37.695 3.121 RESID 161 (F): H 8.215 8.215 7.271 0.944 RESID 162 (L): N 110.177 110.177 119.210 -9.033 RESID 162 (L): C 176.273 176.273 178.670 -2.397 RESID 162 (L): CA 55.750 55.750 57.977 -2.227 RESID 162 (L): CB 44.037 44.037 41.499 2.538 RESID 162 (L): H 7.527 7.527 7.991 -0.464 RESID 163 (W): N 123.525 123.525 121.340 2.185 RESID 163 (W): C 177.152 177.152 177.977 -0.825 RESID 163 (W): CA 61.606 61.606 62.172 -0.566 RESID 163 (W): CB 28.811 28.811 29.510 -0.699 RESID 163 (W): H 7.476 7.476 8.196 -0.720 RESID 164 (L): N 119.740 119.740 119.093 0.647 RESID 164 (L): C 175.686 175.686 178.874 -3.188 RESID 164 (L): CA 61.020 61.020 57.807 3.213 RESID 164 (L): CB 45.794 45.794 41.397 4.397 RESID 164 (L): H 9.412 9.412 8.004 1.408 RESID 165 (A): N 118.013 118.013 121.434 -3.421 RESID 165 (A): C 165.723 165.723 179.557 -13.834 RESID 165 (A): CA 52.236 52.236 55.255 -3.019 RESID 165 (A): CB 21.784 21.784 18.214 3.570 RESID 165 (A): H 7.707 7.707 8.305 -0.598 RESID 166 (R): N 122.994 122.994 118.352 4.642 RESID 166 (R): C 175.979 175.979 178.799 -2.820 RESID 166 (R): CA 49.308 49.308 59.193 -9.885 RESID 166 (R): CB 29.397 29.397 30.135 -0.738 RESID 166 (R): H 8.692 8.692 8.128 0.564 RESID 167 (K): N 112.568 112.568 120.141 -7.573 RESID 167 (K): C 176.273 176.273 179.128 -2.855 RESID 167 (K): CA 58.092 58.092 58.342 -0.250 RESID 167 (K): CB 34.668 34.668 31.310 3.358 RESID 167 (K): H 6.819 6.819 7.440 -0.621 RESID 168 (L): N 114.959 114.959 119.455 -4.496 RESID 168 (L): C 177.738 177.738 178.961 -1.223 RESID 168 (L): CA 56.921 56.921 57.495 -0.574 RESID 168 (L): CB 41.695 41.695 41.505 0.190 RESID 168 (L): H 7.269 7.269 7.712 -0.443 RESID 169 (I): N 122.199 122.199 117.326 4.873 RESID 169 (I): C 177.445 177.445 177.094 0.351 RESID 169 (I): CA 63.375 63.375 63.249 0.126 RESID 169 (I): CB 42.281 42.281 38.612 3.669 RESID 169 (I): H 8.360 8.360 8.017 0.343 RESID 170 (G): N 113.099 113.099 106.725 6.374 RESID 170 (G): C 162.496 162.496 173.974 -11.478 RESID 170 (G): CA 44.037 44.037 44.828 -0.791 RESID 170 (G): H 6.686 6.686 7.981 -1.295 RESID 171 (D): N 113.232 113.232 121.827 -8.595 RESID 171 (D): C 178.910 178.910 175.729 3.181 RESID 171 (D): CA 50.479 50.479 50.458 0.021 RESID 171 (D): CB 41.109 41.109 41.756 -0.647 RESID 171 (D): H 6.815 6.815 7.676 -0.861 RESID 172 (P): C 176.566 176.566 177.287 -0.721 RESID 172 (P): CA 63.965 63.965 64.373 -0.407 RESID 172 (P): CB 31.732 31.732 32.237 -0.505 RESID 173 (N): N 109.779 109.779 115.636 -5.857 RESID 173 (N): C 175.979 175.979 174.679 1.300 RESID 173 (N): CA 54.579 54.579 52.826 1.753 RESID 173 (N): CB 36.424 36.424 38.826 -2.402 RESID 173 (N): H 8.016 8.016 8.340 -0.324 RESID 174 (L): N 109.248 109.248 122.526 -13.278 RESID 174 (L): C 176.566 176.566 175.080 1.486 RESID 174 (L): CA 56.336 56.336 56.215 0.121 RESID 174 (L): CB 44.037 44.037 42.899 1.138 RESID 174 (L): H 7.871 7.871 7.278 0.593 RESID 175 (E): N 125.185 125.185 124.243 0.942 RESID 175 (E): C 177.445 177.445 174.765 2.680 RESID 175 (E): CA 76.247 76.247 54.317 21.930 RESID 175 (E): CB 28.811 28.811 34.058 -5.247 RESID 175 (E): H 9.127 9.127 8.391 0.736 RESID 176 (F): N 136.873 136.873 122.974 13.899 RESID 176 (F): C 178.617 178.617 175.590 3.027 RESID 176 (F): CA 59.264 59.264 58.470 0.794 RESID 176 (F): CB 44.623 44.623 40.294 4.329 RESID 176 (F): H 10.058 10.058 8.706 1.352 RESID 177 (V): N 118.877 118.877 124.337 -5.460 RESID 177 (V): C 177.445 177.445 174.500 2.945 RESID 177 (V): CA 62.777 62.777 59.293 3.484 RESID 177 (V): CB 34.668 34.668 34.771 -0.103 RESID 177 (V): H 7.789 7.789 7.891 -0.102 RESID 178 (A): N 123.859 123.859 125.994 -2.135 RESID 178 (A): C 177.144 177.144 177.331 -0.187 RESID 178 (A): CA 54.000 54.000 54.838 -0.838 RESID 178 (A): CB 15.035 15.035 18.945 -3.910 RESID 178 (A): H 7.683 7.683 8.221 -0.538 RESID 179 (M): N 121.668 121.668 118.929 2.739 RESID 179 (M): C 177.144 177.144 173.452 3.692 RESID 179 (M): CA 60.445 60.445 53.446 6.999 RESID 179 (M): CB 39.351 39.351 33.212 6.139 RESID 179 (M): H 7.648 7.648 7.871 -0.223 RESID 180 (P): C 177.445 177.445 175.911 1.534 RESID 180 (P): CA 64.844 64.844 62.348 2.496 RESID 180 (P): CB 29.974 29.974 32.120 -2.146 RESID 181 (A): N 128.439 128.439 122.556 5.883 RESID 181 (A): C 176.273 176.273 177.784 -1.511 RESID 181 (A): CA 58.092 58.092 51.961 6.131 RESID 181 (A): CB 21.198 21.198 19.275 1.923 RESID 181 (A): H 8.673 8.673 8.046 0.627 RESID 182 (L): N 122.130 122.130 122.693 -0.563 RESID 182 (L): C 177.445 177.445 177.470 -0.025 RESID 182 (L): CA 55.164 55.164 55.073 0.091 RESID 182 (L): CB 42.866 42.866 42.706 0.160 RESID 182 (L): H 8.821 8.821 8.121 0.700 RESID 183 (A): N 121.004 121.004 126.276 -5.272 RESID 183 (A): C 178.617 178.617 175.425 3.192 RESID 183 (A): CA 57.808 57.808 49.925 7.883 RESID 183 (A): CB 24.117 24.117 18.758 5.359 RESID 183 (A): H 8.356 8.356 8.332 0.024 RESID 184 (P): C 177.152 177.152 175.342 1.810 RESID 184 (P): CA 64.258 64.258 61.756 2.502 RESID 184 (P): CB 29.681 29.681 31.355 -1.674 RESID 185 (P): C 175.686 175.686 177.045 -1.359 RESID 185 (P): CA 63.379 63.379 62.069 1.310 RESID 185 (P): CB 35.248 35.248 32.813 2.434 RESID 186 (E): N 120.539 120.539 121.829 -1.290 RESID 186 (E): C 176.273 176.273 176.104 0.169 RESID 186 (E): CA 58.101 58.101 58.003 0.098 RESID 186 (E): CB 35.836 35.836 29.885 5.951 RESID 186 (E): H 8.086 8.086 8.628 -0.542 RESID 187 (V): N 124.455 124.455 115.998 8.457 RESID 187 (V): C 178.910 178.910 174.870 4.040 RESID 187 (V): CA 63.363 63.363 62.953 0.410 RESID 187 (V): CB 34.082 34.082 31.338 2.744 RESID 187 (V): H 8.622 8.622 7.910 0.712 RESID 188 (V): N 128.572 128.572 120.772 7.800 RESID 188 (V): C 178.324 178.324 175.980 2.344 RESID 188 (V): CA 68.634 68.634 61.140 7.494 RESID 188 (V): CB 31.154 31.154 34.265 -3.111 RESID 188 (V): H 8.497 8.497 7.898 0.599 RESID 189 (M): N 122.795 122.795 118.931 3.864 RESID 189 (M): C 177.445 177.445 175.838 1.607 RESID 189 (M): CA 55.164 55.164 57.712 -2.549 RESID 189 (M): CB 35.253 35.253 31.949 3.304 RESID 189 (M): H 6.991 6.991 8.698 -1.707 RESID 190 (D): N 114.959 114.959 115.555 -0.596 RESID 190 (D): C 175.686 175.686 175.812 -0.126 RESID 190 (D): CA 51.065 51.065 55.051 -3.986 RESID 190 (D): CB 41.695 41.695 39.124 2.571 RESID 190 (D): H 7.210 7.210 8.858 -1.648 RESID 191 (P): C 176.566 176.566 177.500 -0.934 RESID 191 (P): CA 63.965 63.965 64.814 -0.849 RESID 191 (P): CB 31.146 31.146 31.607 -0.461 RESID 192 (A): N 109.513 109.513 120.774 -11.261 RESID 192 (A): CA 53.993 53.993 54.352 -0.359 RESID 192 (A): CB 19.441 19.441 18.347 1.094 RESID 192 (A): H 7.394 7.394 7.997 -0.603 RESID 193 (L): N 119.009 119.009 117.604 1.405 RESID 193 (L): C 175.979 175.979 176.961 -0.982 RESID 193 (L): CA 56.336 56.336 55.870 0.466 RESID 193 (L): CB 42.866 42.866 42.083 0.783 RESID 193 (L): H 8.340 8.340 7.993 0.347 RESID 194 (A): N 121.666 121.666 119.179 2.487 RESID 194 (A): C 166.896 166.896 178.343 -11.447 RESID 194 (A): CA 55.164 55.164 52.267 2.897 RESID 194 (A): CB 16.513 16.513 19.562 -3.049 RESID 194 (A): H 8.176 8.176 7.387 0.789 RESID 195 (A): N 119.541 119.541 121.144 -1.603 RESID 195 (A): C 173.928 173.928 179.160 -5.232 RESID 195 (A): CA 57.507 57.507 54.186 3.321 RESID 195 (A): CB 19.441 19.441 17.229 2.212 RESID 195 (A): H 8.364 8.364 8.816 -0.452 RESID 196 (Q): N 107.322 107.322 119.734 -12.412 RESID 196 (Q): C 176.273 176.273 177.519 -1.246 RESID 196 (Q): CA 56.921 56.921 58.478 -1.557 RESID 196 (Q): CB 29.983 29.983 28.667 1.316 RESID 196 (Q): H 7.910 7.910 7.867 0.043 RESID 197 (Y): N 119.277 119.277 118.488 0.789 RESID 197 (Y): C 178.316 178.316 178.451 -0.135 RESID 197 (Y): CA 56.343 56.343 62.148 -5.805 RESID 197 (Y): CB 43.453 43.453 37.868 5.585 RESID 197 (Y): H 8.180 8.180 8.312 -0.132 RESID 198 (E): N 110.244 110.244 119.328 -9.084 RESID 198 (E): C 176.273 176.273 178.866 -2.593 RESID 198 (E): CA 53.407 53.407 59.675 -6.268 RESID 198 (E): CB 30.568 30.568 29.199 1.369 RESID 198 (E): H 7.523 7.523 8.315 -0.792 RESID 199 (H): N 119.211 119.211 119.836 -0.625 RESID 199 (H): C 178.902 178.902 177.115 1.787 RESID 199 (H): CA 58.687 58.687 59.556 -0.869 RESID 199 (H): CB 34.957 34.957 29.772 5.185 RESID 199 (H): H 8.258 8.258 8.046 0.212 RESID 200 (D): N 124.722 124.722 119.882 4.840 RESID 200 (D): C 176.705 176.705 178.955 -2.250 RESID 200 (D): CA 58.687 58.687 57.249 1.438 RESID 200 (D): CB 39.644 39.644 40.234 -0.590 RESID 200 (D): H 8.086 8.086 8.008 0.078 RESID 201 (L): N 116.353 116.353 120.187 -3.834 RESID 201 (L): C 178.910 178.910 179.214 -0.304 RESID 201 (L): CA 61.606 61.606 58.318 3.288 RESID 201 (L): CB 41.109 41.109 41.898 -0.789 RESID 201 (L): H 7.722 7.722 7.978 -0.256 RESID 202 (E): N 118.080 118.080 119.704 -1.624 RESID 202 (E): C 176.566 176.566 179.362 -2.796 RESID 202 (E): CA 56.921 56.921 59.405 -2.484 RESID 202 (E): CB 30.568 30.568 29.655 0.913 RESID 202 (E): H 8.857 8.857 8.100 0.757 RESID 203 (V): N 129.369 129.369 119.975 9.394 RESID 203 (V): C 178.617 178.617 177.839 0.778 RESID 203 (V): CA 64.534 64.534 66.626 -2.093 RESID 203 (V): CB 27.640 27.640 31.082 -3.442 RESID 203 (V): H 9.283 9.283 7.903 1.380 RESID 204 (A): N 109.580 109.580 121.897 -12.317 RESID 204 (A): C 176.859 176.859 179.708 -2.849 RESID 204 (A): CA 54.579 54.579 55.036 -0.457 RESID 204 (A): CB 18.270 18.270 18.441 -0.171 RESID 204 (A): H 8.528 8.528 7.835 0.693 RESID 205 (Q): N 123.328 123.328 116.787 6.541 RESID 205 (Q): C 177.418 177.418 178.099 -0.681 RESID 205 (Q): CA 57.515 57.515 58.220 -0.705 RESID 205 (Q): CB 33.785 33.785 28.901 4.884 RESID 205 (Q): H 8.160 8.160 7.964 0.196 RESID 206 (T): N 120.271 120.271 113.915 6.356 RESID 206 (T): C 176.273 176.273 175.310 0.963 RESID 206 (T): CA 67.462 67.462 64.738 2.724 RESID 206 (T): CB 70.390 70.390 69.089 1.301 RESID 206 (T): H 7.585 7.585 7.977 -0.392 RESID 207 (T): N 111.970 111.970 119.472 -7.502 RESID 207 (T): C 176.566 176.566 174.073 2.493 RESID 207 (T): CA 64.534 64.534 63.832 0.702 RESID 207 (T): CB 72.733 72.733 69.439 3.295 RESID 207 (T): H 7.468 7.468 7.612 -0.144 RESID 208 (A): N 115.623 115.623 128.717 -13.094 RESID 208 (A): C 168.947 168.947 177.181 -8.234 RESID 208 (A): CA 55.164 55.164 51.934 3.229 RESID 208 (A): CB 22.369 22.369 19.478 2.891 RESID 208 (A): H 7.390 7.390 8.319 -0.929 RESID 209 (L): N 117.814 117.814 124.802 -6.988 RESID 209 (L): C 176.273 176.273 176.128 0.145 RESID 209 (L): CA 58.678 58.678 52.798 5.880 RESID 209 (L): CB 46.380 46.380 41.886 4.494 RESID 209 (L): H 7.652 7.652 8.260 -0.608 RESID 210 (P): C 176.566 176.566 175.895 0.671 RESID 210 (P): CA 63.086 63.086 62.231 0.855 RESID 210 (P): CB 31.146 31.146 32.590 -1.444 RESID 211 (D): N 122.863 122.863 119.889 2.974 RESID 211 (D): C 175.686 175.686 176.124 -0.438 RESID 211 (D): CA 56.343 56.343 54.388 1.955 RESID 211 (D): CB 41.402 41.402 40.816 0.586 RESID 211 (D): H 8.360 8.360 8.320 0.040 RESID 212 (E): N 131.162 131.162 124.949 6.213 RESID 212 (E): C 176.273 176.273 176.738 -0.465 RESID 212 (E): CA 55.164 55.164 57.414 -2.250 RESID 212 (E): CB 30.568 30.568 31.831 -1.263 RESID 212 (E): H 8.399 8.399 8.189 0.210 RESID 213 (D): N 122.797 122.797 117.270 5.527 RESID 213 (D): C 177.152 177.152 177.462 -0.310 RESID 213 (D): CA 61.914 61.914 53.919 7.995 RESID 213 (D): CB 49.607 49.607 40.953 8.654 RESID 213 (D): H 8.168 8.168 8.512 -0.344 RESID 214 (D): N 112.369 112.369 121.426 -9.057 RESID 214 (D): C 178.910 178.910 177.191 1.719 RESID 214 (D): CA 54.579 54.579 56.834 -2.256 RESID 214 (D): CB 39.353 39.353 40.192 -0.839 RESID 214 (D): H 7.464 7.464 8.125 -0.661 RESID 215 (D): N 127.244 127.244 118.806 8.438 RESID 215 (D): C 176.859 176.859 177.216 -0.357 RESID 215 (D): CA 54.579 54.579 55.821 -1.242 RESID 215 (D): CB 40.524 40.524 40.760 -0.236 RESID 215 (D): H 8.301 8.301 8.344 -0.043 N HA C CA CB H RESID 3 (A): 4.154 ----- -2.472 -4.534 -0.077 0.843 RESID 4 (Q): 2.380 ----- -0.583 -2.416 -2.500 0.752 RESID 5 (G): 15.814 ----- 8.517 1.117 ----- 0.255 RESID 6 (E): 8.165 ----- 1.561 3.390 -1.296 1.480 RESID 7 (P): ----- ----- -0.545 -1.486 -1.519 ----- RESID 8 (Q): -2.337 ----- 2.100 -5.753 -2.597 -1.737 RESID 9 (V): -0.940 ----- 4.777 2.228 -0.327 -1.097 RESID 10 (Q): -9.384 ----- 1.715 1.155 -4.170 -0.241 RESID 11 (F): -5.370 ----- 1.816 3.748 -0.838 -0.576 RESID 12 (K): 3.648 ----- 3.830 2.171 ----- 1.241 RESID 13 (L): -17.479 ----- 3.125 1.136 -3.089 -2.058 RESID 14 (V): 0.582 ----- 1.274 9.277 -4.650 -0.417 RESID 15 (L): -2.347 ----- 2.643 2.539 ----- -1.324 RESID 16 (V): -0.482 ----- 3.911 4.830 0.712 0.103 RESID 17 (G): 20.832 ----- 1.241 -2.340 ----- 2.827 RESID 18 (D): 3.692 ----- -0.701 3.060 4.048 -0.153 RESID 19 (G): 14.051 ----- 3.396 -3.503 ----- 0.217 RESID 20 (G): 17.152 ----- -1.450 -3.864 ----- -0.030 RESID 21 (T): 5.699 ----- -3.628 -4.138 -4.203 0.573 RESID 22 (G): 6.038 ----- 9.550 -0.129 ----- -1.544 RESID 23 (K): 1.679 ----- 0.667 -1.057 8.296 -0.914 RESID 24 (T): -0.480 ----- 1.630 -4.992 3.402 -0.035 RESID 25 (T): -9.407 ----- 1.993 -2.779 2.982 0.127 RESID 26 (F): -8.405 ----- -2.823 -8.636 1.341 -0.871 RESID 27 (V): 2.650 ----- 0.238 0.297 -2.145 -1.475 RESID 28 (K): -5.653 ----- -1.687 -0.918 2.031 -0.824 RESID 29 (R): -7.056 ----- -5.062 12.890 7.779 -1.343 RESID 30 (H): 3.940 ----- -5.050 -7.858 1.090 -0.354 RESID 31 (L): -9.211 ----- -0.687 -2.515 0.102 -0.365 RESID 32 (T): 15.437 ----- -4.797 1.833 4.911 0.133 RESID 33 (G): 17.674 ----- -11.979 -1.913 ----- 1.955 RESID 34 (E): 0.599 ----- -0.372 2.211 3.731 0.845 RESID 35 (F): -8.309 ----- -1.092 -7.682 0.564 -1.582 RESID 36 (E): -3.761 ----- -0.312 3.646 17.793 -0.398 RESID 37 (K): -6.252 ----- -4.462 -10.088 4.027 0.025 RESID 38 (K): -11.825 ----- 0.609 3.750 1.662 -0.257 RESID 39 (Y): -15.170 ----- -0.136 2.865 -3.033 -1.193 RESID 40 (V): -6.503 ----- -0.241 -0.553 -2.438 -0.135 RESID 42 (T): -0.140 ----- 4.875 -2.413 0.817 -0.145 RESID 43 (L): -8.792 ----- -2.965 3.240 -0.030 0.765 RESID 44 (G): 1.310 ----- 6.113 8.740 ----- -1.658 RESID 45 (V): -12.626 ----- -0.282 2.557 -17.450 0.322 RESID 46 (E): 3.189 ----- 2.108 0.216 0.070 0.802 RESID 47 (V): 0.052 ----- 0.824 1.752 5.379 0.333 RESID 48 (H): 2.375 ----- -3.755 -3.598 -5.214 1.104 RESID 49 (P): ----- ----- 0.367 -0.182 -2.778 ----- RESID 50 (L): -4.985 ----- 1.676 5.315 -3.547 -1.305 RESID 51 (V): -4.370 ----- -0.750 2.643 4.218 -0.574 RESID 52 (F): -1.988 ----- 0.699 -0.477 -2.534 -0.323 RESID 53 (H): -2.296 ----- -4.908 -0.804 -0.840 -0.855 RESID 54 (T): -3.892 ----- 2.614 3.954 1.183 -0.881 RESID 55 (N): 10.843 ----- -0.180 -4.734 -1.195 1.593 RESID 56 (R): 4.023 ----- -1.314 6.153 2.861 -0.429 RESID 57 (G): 19.742 ----- 4.209 -2.057 ----- 1.689 RESID 58 (P): ----- ----- 1.345 1.873 -2.806 ----- RESID 59 (I): 6.023 ----- 1.379 5.104 -2.293 -0.040 RESID 60 (K): 4.404 ----- 3.337 19.795 -3.328 -0.538 RESID 61 (F): -2.764 ----- 0.050 0.287 0.391 -2.058 RESID 62 (N): 0.598 ----- -1.041 0.897 2.554 -0.866 RESID 63 (V): -21.594 ----- -0.292 -1.833 -1.790 -0.896 RESID 64 (W): -0.230 ----- 1.708 5.290 -0.251 -0.542 RESID 65 (D): -6.455 ----- -1.240 1.925 -1.890 -0.553 RESID 66 (T): 4.495 ----- 4.255 8.306 0.390 -0.035 RESID 67 (A): -18.009 ----- -0.242 -2.693 -5.801 0.656 RESID 68 (G): 4.820 ----- 13.370 -1.016 ----- 1.908 RESID 69 (Q): 2.926 ----- -1.497 0.576 2.731 -0.103 RESID 70 (E): -4.486 ----- 0.207 1.194 -1.511 1.415 RESID 71 (K): -5.742 ----- -0.741 -6.555 4.213 0.383 RESID 72 (F): -4.815 ----- -0.809 -2.636 -2.449 -0.008 RESID 73 (G): 5.829 ----- -6.788 -2.467 ----- -0.187 RESID 74 (G): 12.450 ----- -1.785 -2.664 ----- 0.625 RESID 75 (L): 5.273 ----- 0.879 -3.210 0.248 -0.178 RESID 76 (R): -0.450 ----- -0.400 2.737 1.478 -0.267 RESID 77 (D): 8.349 ----- -0.898 -5.756 1.202 1.378 RESID 78 (G): 20.077 ----- -2.123 -2.513 ----- -0.195 RESID 79 (Y): 2.394 ----- -1.147 -0.225 2.454 0.983 RESID 80 (Y): 5.004 ----- 0.222 3.314 2.563 0.551 RESID 81 (I): -0.314 ----- 1.794 4.072 3.123 1.065 RESID 82 (Q): 1.773 ----- -0.981 3.612 4.948 -0.710 RESID 83 (A): -10.613 ----- -1.032 2.260 -2.719 -1.001 RESID 84 (Q): 0.830 ----- 1.127 3.919 4.132 -0.488 RESID 85 (C): 8.922 ----- 3.920 9.281 8.066 0.643 RESID 86 (A): -7.629 ----- ----- 6.935 -1.169 -1.845 RESID 87 (I): -0.093 ----- -0.726 1.049 -1.293 -0.318 RESID 88 (I): -6.853 ----- -0.720 4.414 -2.597 -3.478 RESID 89 (M): -6.728 ----- 3.828 5.133 -0.955 -0.406 RESID 90 (F): 0.085 ----- 2.290 4.781 -3.582 0.472 RESID 91 (D): -1.105 ----- -0.427 7.963 1.505 -1.266 RESID 92 (V): -8.556 ----- -3.195 -0.471 6.211 -0.797 RESID 93 (T): 17.167 ----- 4.804 1.251 5.197 -0.579 RESID 94 (S): 6.568 ----- -11.250 4.587 -2.209 -0.158 RESID 95 (R): -15.103 ----- -1.730 -6.234 1.035 -0.939 RESID 96 (V): 5.539 ----- 0.275 2.130 -7.248 1.114 RESID 97 (T): -4.460 ----- 1.721 -2.520 1.408 0.366 RESID 98 (Y): -8.207 ----- -1.414 ----- ----- -0.229 RESID 99 (K): 4.902 ----- -0.217 -0.764 4.067 0.320 RESID 100 (N): -4.266 ----- -0.799 -1.773 -1.146 -2.075 RESID 101 (V): -2.738 ----- -1.341 -5.638 -2.168 -0.142 RESID 102 (P): ----- ----- -0.670 -2.943 -0.299 ----- RESID 103 (N): 7.890 ----- -1.825 0.145 1.410 0.567 RESID 104 (W): 2.554 ----- -3.429 -1.205 5.253 0.217 RESID 105 (H): 3.927 ----- 3.303 ----- ----- -1.429 RESID 106 (R): 3.631 ----- 0.189 5.228 -1.897 -0.304 RESID 107 (D): -2.719 ----- -1.878 -2.644 0.704 1.106 RESID 108 (L): -6.552 ----- -2.074 1.041 7.343 -1.126 RESID 109 (V): 2.669 ----- -2.990 -2.435 1.806 1.093 RESID 110 (R): -7.793 ----- -1.742 -2.050 0.364 -0.609 RESID 111 (V): -1.421 ----- 0.370 -6.249 0.134 -0.141 RESID 112 (C): -1.133 ----- -4.649 -1.236 7.056 -0.863 RESID 113 (E): -1.770 ----- 0.963 10.692 2.354 -1.047 RESID 114 (N): 8.253 ----- 0.219 -0.864 1.751 0.598 RESID 115 (I): -9.502 ----- 1.729 7.815 -0.733 1.351 RESID 116 (P): ----- ----- 0.255 -0.085 -2.792 ----- RESID 117 (I): -0.515 ----- -0.255 5.961 -3.465 -0.803 RESID 118 (V): -6.833 ----- 3.609 2.071 -2.956 -0.040 RESID 119 (L): -7.335 ----- 2.017 -10.933 -5.152 -1.461 RESID 120 (C): -9.068 ----- 3.783 ----- ----- -0.854 RESID 121 (G): 3.900 ----- 4.034 -2.539 ----- -1.462 RESID 122 (N): 1.323 ----- -0.061 0.535 -1.604 0.514 RESID 123 (K): 8.051 ----- -4.019 0.495 5.710 -0.715 RESID 124 (V): 10.582 ----- -0.759 0.275 11.120 1.040 RESID 125 (D): -0.243 ----- -0.179 -0.751 -0.501 -0.308 RESID 126 (I): -4.470 ----- 0.711 4.356 1.051 0.127 RESID 127 (K): -4.263 ----- -0.979 -0.491 3.263 -0.321 RESID 128 (D): -2.073 ----- 1.515 0.215 0.780 -0.931 RESID 129 (R): -3.689 ----- 1.383 -10.466 -0.257 0.570 RESID 130 (K): -12.653 ----- -0.283 -2.608 2.568 -1.233 RESID 131 (V): -10.657 ----- 3.713 3.914 4.393 1.280 RESID 132 (K): -17.549 ----- -1.064 4.418 1.272 1.385 RESID 133 (A): 6.550 ----- ----- -3.920 -5.524 -2.531 RESID 134 (K): -0.513 ----- -1.214 -2.892 22.323 -1.770 RESID 135 (S): -4.927 ----- -1.282 -3.337 0.831 0.008 RESID 136 (I): 2.055 ----- -0.776 6.052 5.141 0.837 RESID 137 (V): -8.830 ----- 0.824 3.262 1.475 -0.201 RESID 138 (F): -5.075 ----- -0.878 -4.633 0.147 0.683 RESID 139 (H): 4.566 ----- -1.109 8.445 6.859 -0.785 RESID 140 (R): -0.227 ----- -1.201 -0.935 9.952 1.162 RESID 141 (K): -3.995 ----- -4.391 -0.699 1.280 -0.102 RESID 142 (K): -1.997 ----- 0.063 -3.933 2.479 1.201 RESID 143 (N): -2.597 ----- 0.973 -0.544 3.462 -0.300 RESID 144 (L): 1.978 ----- ----- 0.722 -1.559 -0.290 RESID 145 (Q): 1.741 ----- 2.708 1.624 -0.948 -0.970 RESID 146 (Y): -5.712 ----- 0.564 6.721 0.801 1.180 RESID 147 (Y): -2.203 ----- 3.877 1.898 -1.927 -0.411 RESID 148 (D): -2.414 ----- 1.655 0.163 -0.558 0.622 RESID 149 (I): 1.095 ----- 0.437 1.915 -3.321 0.004 RESID 150 (S): 0.391 ----- 1.203 4.705 -3.197 -0.061 RESID 151 (A): 0.264 ----- -18.519 -1.411 3.267 1.682 RESID 152 (K): 2.576 ----- -3.876 1.116 2.202 0.598 RESID 153 (S): 24.407 ----- 2.323 4.074 2.087 1.162 RESID 154 (N): 2.806 ----- 1.960 -4.834 2.854 -0.715 RESID 155 (Y): -3.030 ----- 1.850 1.188 2.709 0.428 RESID 156 (N): 1.591 ----- 0.089 -1.135 2.198 -0.772 RESID 157 (F): 3.516 ----- -1.570 -3.712 0.064 -0.350 RESID 158 (E): -2.041 ----- -0.901 15.741 -1.313 -0.983 RESID 159 (K): -7.266 ----- 0.905 -7.514 3.328 -0.455 RESID 160 (P): ----- ----- -2.287 -1.397 1.173 ----- RESID 161 (F): 7.624 ----- -0.704 -1.497 3.121 0.944 RESID 162 (L): -9.033 ----- -2.397 -2.227 2.538 -0.464 RESID 163 (W): 2.185 ----- -0.825 -0.566 -0.699 -0.720 RESID 164 (L): 0.647 ----- -3.188 3.213 4.397 1.408 RESID 165 (A): -3.421 ----- -13.834 -3.019 3.570 -0.598 RESID 166 (R): 4.642 ----- -2.820 -9.885 -0.738 0.564 RESID 167 (K): -7.573 ----- -2.855 -0.250 3.358 -0.621 RESID 168 (L): -4.496 ----- -1.223 -0.574 0.190 -0.443 RESID 169 (I): 4.873 ----- 0.351 0.126 3.669 0.343 RESID 170 (G): 6.374 ----- -11.478 -0.791 ----- -1.295 RESID 171 (D): -8.595 ----- 3.181 0.021 -0.647 -0.861 RESID 172 (P): ----- ----- -0.721 -0.407 -0.505 ----- RESID 173 (N): -5.857 ----- 1.300 1.753 -2.402 -0.324 RESID 174 (L): -13.278 ----- 1.486 0.121 1.138 0.593 RESID 175 (E): 0.942 ----- 2.680 21.930 -5.247 0.736 RESID 176 (F): 13.899 ----- 3.027 0.794 4.329 1.352 RESID 177 (V): -5.460 ----- 2.945 3.484 -0.103 -0.102 RESID 178 (A): -2.135 ----- -0.187 -0.838 -3.910 -0.538 RESID 179 (M): 2.739 ----- 3.692 6.999 6.139 -0.223 RESID 180 (P): ----- ----- 1.534 2.496 -2.146 ----- RESID 181 (A): 5.883 ----- -1.511 6.131 1.923 0.627 RESID 182 (L): -0.563 ----- -0.025 0.091 0.160 0.700 RESID 183 (A): -5.272 ----- 3.192 7.883 5.359 0.024 RESID 184 (P): ----- ----- 1.810 2.502 -1.674 ----- RESID 185 (P): ----- ----- -1.359 1.310 2.434 ----- RESID 186 (E): -1.290 ----- 0.169 0.098 5.951 -0.542 RESID 187 (V): 8.457 ----- 4.040 0.410 2.744 0.712 RESID 188 (V): 7.800 ----- 2.344 7.494 -3.111 0.599 RESID 189 (M): 3.864 ----- 1.607 -2.549 3.304 -1.707 RESID 190 (D): -0.596 ----- -0.126 -3.986 2.571 -1.648 RESID 191 (P): ----- ----- -0.934 -0.849 -0.461 ----- RESID 192 (A): -11.261 ----- ----- -0.359 1.094 -0.603 RESID 193 (L): 1.405 ----- -0.982 0.466 0.783 0.347 RESID 194 (A): 2.487 ----- -11.447 2.897 -3.049 0.789 RESID 195 (A): -1.603 ----- -5.232 3.321 2.212 -0.452 RESID 196 (Q): -12.412 ----- -1.246 -1.557 1.316 0.043 RESID 197 (Y): 0.789 ----- -0.135 -5.805 5.585 -0.132 RESID 198 (E): -9.084 ----- -2.593 -6.268 1.369 -0.792 RESID 199 (H): -0.625 ----- 1.787 -0.869 5.185 0.212 RESID 200 (D): 4.840 ----- -2.250 1.438 -0.590 0.078 RESID 201 (L): -3.834 ----- -0.304 3.288 -0.789 -0.256 RESID 202 (E): -1.624 ----- -2.796 -2.484 0.913 0.757 RESID 203 (V): 9.394 ----- 0.778 -2.093 -3.442 1.380 RESID 204 (A): -12.317 ----- -2.849 -0.457 -0.171 0.693 RESID 205 (Q): 6.541 ----- -0.681 -0.705 4.884 0.196 RESID 206 (T): 6.356 ----- 0.963 2.724 1.301 -0.392 RESID 207 (T): -7.502 ----- 2.493 0.702 3.295 -0.144 RESID 208 (A): -13.094 ----- -8.234 3.229 2.891 -0.929 RESID 209 (L): -6.988 ----- 0.145 5.880 4.494 -0.608 RESID 210 (P): ----- ----- 0.671 0.855 -1.444 ----- RESID 211 (D): 2.974 ----- -0.438 1.955 0.586 0.040 RESID 212 (E): 6.213 ----- -0.465 -2.250 -1.263 0.210 RESID 213 (D): 5.527 ----- -0.310 7.995 8.654 -0.344 RESID 214 (D): -9.057 ----- 1.719 -2.256 -0.839 -0.661 RESID 215 (D): 8.438 ----- -0.357 -1.242 -0.236 -0.043 DATA CS_STAT_INFO N RMS: 7.623 ppm Count: 201 Average Difference: 0.382 +/- 7.633 ppm DATA CS_STAT_INFO HA RMS: 0.457 ppm Count: 28 Average Difference: -0.344 +/- 0.307 ppm DATA CS_STAT_INFO C RMS: 3.501 ppm Count: 209 Average Difference: 0.156 +/- 3.506 ppm DATA CS_STAT_INFO CA RMS: 4.639 ppm Count: 210 Average Difference: -0.627 +/- 4.608 ppm DATA CS_STAT_INFO CB RMS: 4.084 ppm Count: 194 Average Difference: -0.969 +/- 3.978 ppm DATA CS_STAT_INFO HN RMS: 0.950 ppm Count: 201 Average Difference: 0.104 +/- 0.946 ppm ############################################################################ For conformer 9: Atom Original Corrected SPARTA Difference RESID 2 (A): N 131.228 131.228 123.956 7.272 RESID 2 (A): C 187.031 187.031 179.718 7.313 RESID 2 (A): CA 53.407 53.407 55.320 -1.913 RESID 2 (A): CB 20.027 20.027 18.193 1.834 RESID 2 (A): H 10.644 10.644 8.693 1.951 RESID 3 (A): N 124.521 124.521 120.739 3.782 RESID 3 (A): C 176.566 176.566 179.222 -2.656 RESID 3 (A): CA 49.894 49.894 54.542 -4.648 RESID 3 (A): CB 18.270 18.270 18.207 0.063 RESID 3 (A): H 8.669 8.669 8.437 0.232 RESID 4 (Q): N 118.080 118.080 116.530 1.550 RESID 4 (Q): C 176.273 176.273 177.256 -0.983 RESID 4 (Q): CA 54.579 54.579 57.191 -2.612 RESID 4 (Q): CB 27.054 27.054 28.883 -1.829 RESID 4 (Q): H 8.919 8.919 8.340 0.579 RESID 5 (G): N 121.002 121.002 106.437 14.565 RESID 5 (G): C 181.877 181.877 173.688 8.189 RESID 5 (G): CA 45.794 45.794 44.929 0.865 RESID 5 (G): H 8.082 8.082 7.931 0.151 RESID 6 (E): N 129.435 129.435 122.493 6.942 RESID 6 (E): C 176.566 176.566 175.497 1.069 RESID 6 (E): CA 56.336 56.336 53.137 3.199 RESID 6 (E): CB 28.811 28.811 30.438 -1.627 RESID 6 (E): H 9.267 9.267 7.943 1.324 RESID 7 (P): C 176.566 176.566 176.986 -0.420 RESID 7 (P): CA 63.672 63.672 64.953 -1.281 RESID 7 (P): CB 31.146 31.146 32.177 -1.031 RESID 8 (Q): N 112.502 112.502 115.221 -2.719 RESID 8 (Q): C 177.445 177.445 174.904 2.541 RESID 8 (Q): CA 50.479 50.479 56.114 -5.635 RESID 8 (Q): CB 28.811 28.811 31.498 -2.687 RESID 8 (Q): H 6.220 6.220 8.107 -1.887 RESID 9 (V): N 117.416 117.416 115.203 2.213 RESID 9 (V): C 178.324 178.324 173.512 4.812 RESID 9 (V): CA 63.363 63.363 59.632 3.731 RESID 9 (V): CB 34.668 34.668 34.758 -0.090 RESID 9 (V): H 6.561 6.561 7.620 -1.059 RESID 10 (Q): N 113.896 113.896 122.976 -9.080 RESID 10 (Q): C 176.273 176.273 174.263 2.010 RESID 10 (Q): CA 55.164 55.164 54.038 1.126 RESID 10 (Q): CB 28.226 28.226 32.196 -3.970 RESID 10 (Q): H 7.847 7.847 7.903 -0.056 RESID 11 (F): N 118.744 118.744 124.030 -5.286 RESID 11 (F): C 176.566 176.566 174.693 1.873 RESID 11 (F): CA 59.849 59.849 56.383 3.466 RESID 11 (F): CB 41.109 41.109 42.409 -1.300 RESID 11 (F): H 8.262 8.262 8.887 -0.625 RESID 12 (K): N 129.437 129.437 125.418 4.019 RESID 12 (K): C 178.609 178.609 174.847 3.762 RESID 12 (K): CA 57.808 57.808 55.715 2.093 RESID 12 (K): H 10.015 10.015 8.779 1.236 RESID 13 (L): N 112.103 112.103 129.616 -17.513 RESID 13 (L): C 177.738 177.738 174.619 3.119 RESID 13 (L): CA 54.579 54.579 53.450 1.129 RESID 13 (L): CB 42.866 42.866 45.941 -3.075 RESID 13 (L): H 6.905 6.905 8.891 -1.986 RESID 14 (V): N 127.310 127.310 126.799 0.511 RESID 14 (V): C 175.393 175.393 174.202 1.191 RESID 14 (V): CA 70.976 70.976 61.684 9.292 RESID 14 (V): CB 28.811 28.811 33.320 -4.509 RESID 14 (V): H 8.305 8.305 8.823 -0.518 RESID 15 (L): N 128.640 128.640 131.166 -2.526 RESID 15 (L): C 177.730 177.730 175.159 2.571 RESID 15 (L): CA 55.758 55.758 53.287 2.471 RESID 15 (L): H 7.718 7.718 9.034 -1.316 RESID 16 (V): N 121.267 121.267 121.636 -0.369 RESID 16 (V): C 178.324 178.324 174.443 3.881 RESID 16 (V): CA 63.363 63.363 58.519 4.844 RESID 16 (V): CB 35.839 35.839 35.254 0.585 RESID 16 (V): H 8.935 8.935 8.908 0.027 RESID 17 (G): N 127.908 127.908 106.862 21.046 RESID 17 (G): C 174.514 174.514 173.161 1.353 RESID 17 (G): CA 42.281 42.281 44.595 -2.314 RESID 17 (G): H 9.682 9.682 6.811 2.871 RESID 18 (D): N 125.054 125.054 121.087 3.967 RESID 18 (D): C 176.851 176.851 177.724 -0.873 RESID 18 (D): CA 57.515 57.515 54.555 2.960 RESID 18 (D): CB 46.090 46.090 41.924 4.166 RESID 18 (D): H 8.282 8.282 8.436 -0.154 RESID 19 (G): N 120.670 120.670 106.423 14.247 RESID 19 (G): C 178.324 178.324 174.782 3.542 RESID 19 (G): CA 42.281 42.281 45.456 -3.175 RESID 19 (G): H 8.825 8.825 8.736 0.089 RESID 20 (G): N 129.369 129.369 113.044 16.325 RESID 20 (G): C 174.221 174.221 175.774 -1.553 RESID 20 (G): CA 41.695 41.695 45.376 -3.681 RESID 20 (G): H 8.477 8.477 7.745 0.732 RESID 21 (T): N 122.199 122.199 116.668 5.531 RESID 21 (T): C 171.291 171.291 174.880 -3.589 RESID 21 (T): CA 61.914 61.914 66.206 -4.292 RESID 21 (T): CB 65.137 65.137 69.334 -4.197 RESID 21 (T): H 8.059 8.059 7.539 0.520 RESID 22 (G): N 112.369 112.369 105.793 6.576 RESID 22 (G): C 184.807 184.807 175.172 9.635 RESID 22 (G): CA 45.209 45.209 45.127 0.082 RESID 22 (G): H 6.772 6.772 8.369 -1.597 RESID 23 (K): N 122.066 122.066 120.896 1.170 RESID 23 (K): C 178.589 178.589 177.931 0.658 RESID 23 (K): CA 58.101 58.101 60.024 -1.923 RESID 23 (K): CB 40.230 40.230 32.226 8.004 RESID 23 (K): H 7.441 7.441 8.602 -1.161 RESID 24 (T): N 114.627 114.627 114.747 -0.120 RESID 24 (T): C 178.324 178.324 176.498 1.826 RESID 24 (T): CA 62.192 62.192 67.437 -5.245 RESID 24 (T): CB 71.562 71.562 67.746 3.816 RESID 24 (T): H 8.469 8.469 8.401 0.068 RESID 25 (T): N 110.377 110.377 119.032 -8.655 RESID 25 (T): C 178.324 178.324 176.012 2.312 RESID 25 (T): CA 64.534 64.534 67.697 -3.163 RESID 25 (T): CB 71.562 71.562 68.456 3.106 RESID 25 (T): H 8.415 8.415 8.220 0.195 RESID 26 (F): N 114.295 114.295 122.482 -8.187 RESID 26 (F): C 174.514 174.514 176.921 -2.407 RESID 26 (F): CA 53.407 53.407 61.842 -8.434 RESID 26 (F): CB 40.524 40.524 39.115 1.409 RESID 26 (F): H 7.707 7.707 8.419 -0.712 RESID 27 (V): N 123.525 123.525 119.961 3.564 RESID 27 (V): C 178.031 178.031 177.871 0.160 RESID 27 (V): CA 67.462 67.462 67.002 0.459 RESID 27 (V): CB 29.397 29.397 31.506 -2.109 RESID 27 (V): H 6.967 6.967 8.258 -1.290 RESID 28 (K): N 114.228 114.228 119.764 -5.536 RESID 28 (K): C 176.566 176.566 178.562 -1.996 RESID 28 (K): CA 58.092 58.092 59.937 -1.845 RESID 28 (K): CB 34.082 34.082 31.921 2.161 RESID 28 (K): H 7.429 7.429 8.223 -0.794 RESID 29 (R): N 112.037 112.037 119.792 -7.755 RESID 29 (R): C 174.221 174.221 178.502 -4.281 RESID 29 (R): CA 72.147 72.147 58.974 13.173 RESID 29 (R): CB 37.596 37.596 29.740 7.856 RESID 29 (R): H 6.803 6.803 7.977 -1.174 RESID 30 (H): N 122.396 122.396 116.817 5.579 RESID 30 (H): C 172.170 172.170 177.265 -5.095 RESID 30 (H): CA 51.651 51.651 59.185 -7.534 RESID 30 (H): CB 30.568 30.568 29.869 0.699 RESID 30 (H): H 7.644 7.644 7.569 0.075 RESID 31 (L): N 110.377 110.377 119.649 -9.272 RESID 31 (L): C 178.031 178.031 178.776 -0.745 RESID 31 (L): CA 55.164 55.164 57.701 -2.537 RESID 31 (L): CB 42.281 42.281 42.180 0.101 RESID 31 (L): H 7.894 7.894 8.264 -0.370 RESID 32 (T): N 121.468 121.468 106.034 15.434 RESID 32 (T): C 170.705 170.705 175.519 -4.814 RESID 32 (T): CA 63.668 63.668 61.820 1.848 RESID 32 (T): CB 75.679 75.679 70.691 4.988 RESID 32 (T): H 8.372 8.372 8.222 0.150 RESID 33 (G): N 127.841 127.841 110.044 17.797 RESID 33 (G): C 161.914 161.914 174.027 -12.113 RESID 33 (G): CA 42.866 42.866 44.803 -1.937 RESID 33 (G): H 9.662 9.662 7.633 2.029 RESID 34 (E): N 120.871 120.871 120.387 0.484 RESID 34 (E): C 174.508 174.508 175.075 -0.567 RESID 34 (E): CA 58.101 58.101 55.998 2.103 RESID 34 (E): CB 34.371 34.371 30.617 3.754 RESID 34 (E): H 8.211 8.211 7.363 0.848 RESID 35 (F): N 111.838 111.838 119.925 -8.087 RESID 35 (F): C 174.221 174.221 175.162 -0.941 RESID 35 (F): CA 49.308 49.308 57.048 -7.740 RESID 35 (F): CB 41.695 41.695 40.686 1.009 RESID 35 (F): H 6.772 6.772 8.349 -1.577 RESID 36 (E): N 120.672 120.672 126.001 -5.329 RESID 36 (E): C 175.686 175.686 176.062 -0.376 RESID 36 (E): CA 58.980 58.980 55.113 3.867 RESID 36 (E): CB 48.140 48.140 30.907 17.233 RESID 36 (E): H 8.293 8.293 8.714 -0.421 RESID 37 (K): N 118.810 118.810 126.882 -8.072 RESID 37 (K): C 172.756 172.756 177.665 -4.909 RESID 37 (K): CA 48.137 48.137 58.023 -9.886 RESID 37 (K): CB 37.010 37.010 32.998 4.011 RESID 37 (K): H 8.509 8.509 9.036 -0.527 RESID 38 (K): N 108.052 108.052 119.783 -11.731 RESID 38 (K): C 176.273 176.273 175.631 0.642 RESID 38 (K): CA 59.849 59.849 56.084 3.765 RESID 38 (K): CB 34.668 34.668 33.185 1.483 RESID 38 (K): H 7.715 7.715 7.937 -0.222 RESID 39 (Y): N 108.650 108.650 122.774 -14.124 RESID 39 (Y): C 175.686 175.686 174.648 1.038 RESID 39 (Y): CA 61.020 61.020 57.820 3.200 RESID 39 (Y): CB 36.424 36.424 39.227 -2.803 RESID 39 (Y): H 7.362 7.362 8.369 -1.007 RESID 40 (V): N 117.947 117.947 128.678 -10.731 RESID 40 (V): C 175.393 175.393 173.940 1.453 RESID 40 (V): CA 61.020 61.020 60.113 0.907 RESID 40 (V): CB 31.154 31.154 35.038 -3.884 RESID 40 (V): H 8.442 8.442 7.936 0.506 RESID 42 (T): N 117.150 117.150 119.547 -2.397 RESID 42 (T): C 178.910 178.910 174.040 4.870 RESID 42 (T): CA 60.435 60.435 62.749 -2.314 RESID 42 (T): CB 70.390 70.390 69.814 0.576 RESID 42 (T): H 8.192 8.192 8.447 -0.255 RESID 43 (L): N 119.209 119.209 127.093 -7.884 RESID 43 (L): C 174.807 174.807 177.322 -2.515 RESID 43 (L): CA 57.507 57.507 54.590 2.917 RESID 43 (L): CB 42.866 42.866 42.839 0.027 RESID 43 (L): H 9.260 9.260 8.543 0.717 RESID 44 (G): N 114.361 114.361 113.590 0.771 RESID 44 (G): C 178.910 178.910 172.826 6.084 RESID 44 (G): CA 54.579 54.579 45.870 8.709 RESID 44 (G): H 6.979 6.979 8.657 -1.678 RESID 45 (V): N 110.244 110.244 122.854 -12.610 RESID 45 (V): C 174.807 174.807 175.065 -0.258 RESID 45 (V): CA 63.363 63.363 60.865 2.498 RESID 45 (V): CB 17.099 17.099 34.566 -17.467 RESID 45 (V): H 8.309 8.309 7.998 0.311 RESID 46 (E): N 130.365 130.365 127.394 2.971 RESID 46 (E): C 176.859 176.859 174.585 2.274 RESID 46 (E): CA 55.164 55.164 54.944 0.220 RESID 46 (E): CB 32.325 32.325 32.226 0.099 RESID 46 (E): H 9.741 9.741 8.896 0.845 RESID 47 (V): N 125.254 125.254 125.061 0.193 RESID 47 (V): C 175.661 175.661 174.611 1.050 RESID 47 (V): CA 63.375 63.375 61.530 1.845 RESID 47 (V): CB 37.300 37.300 32.106 5.194 RESID 47 (V): H 8.250 8.250 8.514 -0.264 RESID 48 (H): N 129.236 129.236 126.935 2.301 RESID 48 (H): C 169.240 169.240 172.768 -3.528 RESID 48 (H): CA 49.894 49.894 53.301 -3.407 RESID 48 (H): CB 27.640 27.640 32.669 -5.029 RESID 48 (H): H 10.390 10.390 9.241 1.149 RESID 49 (P): C 176.273 176.273 175.797 0.476 RESID 49 (P): CA 62.500 62.500 62.464 0.036 RESID 49 (P): CB 29.974 29.974 32.104 -2.130 RESID 50 (L): N 119.408 119.408 127.496 -8.088 RESID 50 (L): C 177.445 177.445 175.453 1.992 RESID 50 (L): CA 59.264 59.264 54.023 5.241 RESID 50 (L): CB 42.281 42.281 44.881 -2.600 RESID 50 (L): H 7.492 7.492 8.992 -1.500 RESID 51 (V): N 117.947 117.947 122.940 -4.993 RESID 51 (V): C 174.514 174.514 175.082 -0.568 RESID 51 (V): CA 64.534 64.534 61.331 3.203 RESID 51 (V): CB 37.010 37.010 33.143 3.867 RESID 51 (V): H 7.715 7.715 8.184 -0.469 RESID 52 (F): N 124.853 124.853 126.582 -1.729 RESID 52 (F): C 175.100 175.100 174.272 0.828 RESID 52 (F): CA 56.336 56.336 56.722 -0.386 RESID 52 (F): CB 39.938 39.938 42.372 -2.434 RESID 52 (F): H 8.935 8.935 9.195 -0.260 RESID 53 (H): N 120.603 120.603 122.787 -2.184 RESID 53 (H): C 170.119 170.119 174.925 -4.806 RESID 53 (H): CA 55.164 55.164 55.297 -0.133 RESID 53 (H): CB 30.568 30.568 31.091 -0.523 RESID 53 (H): H 8.356 8.356 9.202 -0.846 RESID 54 (T): N 112.634 112.634 116.192 -3.558 RESID 54 (T): C 178.910 178.910 176.286 2.624 RESID 54 (T): CA 63.363 63.363 59.442 3.921 RESID 54 (T): CB 72.733 72.733 71.543 1.190 RESID 54 (T): H 7.574 7.574 8.367 -0.793 RESID 55 (N): N 131.095 131.095 120.176 10.919 RESID 55 (N): C 176.273 176.273 176.570 -0.297 RESID 55 (N): CA 51.065 51.065 55.863 -4.798 RESID 55 (N): CB 37.010 37.010 38.340 -1.330 RESID 55 (N): H 10.187 10.187 8.602 1.585 RESID 56 (R): N 122.064 122.064 118.896 3.168 RESID 56 (R): C 175.100 175.100 176.111 -1.011 RESID 56 (R): CA 61.606 61.606 55.869 5.737 RESID 56 (R): CB 32.911 32.911 30.524 2.387 RESID 56 (R): H 7.433 7.433 7.862 -0.429 RESID 57 (G): N 127.709 127.709 107.443 20.266 RESID 57 (G): C 175.979 175.979 172.055 3.924 RESID 57 (G): CA 42.281 42.281 44.191 -1.910 RESID 57 (G): H 9.373 9.373 7.616 1.757 RESID 58 (P): C 177.152 177.152 175.864 1.288 RESID 58 (P): CA 65.137 65.137 63.288 1.849 RESID 58 (P): CB 29.095 29.095 32.153 -3.058 RESID 59 (I): N 128.638 128.638 122.405 6.233 RESID 59 (I): C 175.979 175.979 174.255 1.724 RESID 59 (I): CA 65.120 65.120 60.136 4.984 RESID 59 (I): CB 40.524 40.524 42.663 -2.139 RESID 59 (I): H 8.794 8.794 8.920 -0.126 RESID 60 (K): N 127.711 127.711 125.579 2.132 RESID 60 (K): C 178.902 178.902 174.819 4.083 RESID 60 (K): CA 74.293 74.293 54.415 19.878 RESID 60 (K): CB 32.027 32.027 36.014 -3.987 RESID 60 (K): H 8.024 8.024 8.658 -0.634 RESID 61 (F): N 120.670 120.670 125.633 -4.963 RESID 61 (F): C 175.393 175.393 175.149 0.244 RESID 61 (F): CA 57.507 57.507 56.613 0.894 RESID 61 (F): CB 41.109 41.109 41.225 -0.116 RESID 61 (F): H 7.515 7.515 9.596 -2.081 RESID 62 (N): N 124.789 124.789 124.309 0.480 RESID 62 (N): C 173.336 173.336 174.836 -1.500 RESID 62 (N): CA 53.121 53.121 52.563 0.558 RESID 62 (N): CB 41.695 41.695 39.000 2.695 RESID 62 (N): H 8.325 8.325 9.108 -0.783 RESID 63 (V): N 106.127 106.127 125.420 -19.293 RESID 63 (V): C 175.100 175.100 175.542 -0.442 RESID 63 (V): CA 61.020 61.020 62.877 -1.857 RESID 63 (V): CB 31.154 31.154 32.792 -1.638 RESID 63 (V): H 8.113 8.113 8.999 -0.886 RESID 64 (W): N 129.302 129.302 129.781 -0.479 RESID 64 (W): C 177.152 177.152 175.426 1.726 RESID 64 (W): CA 59.264 59.264 54.402 4.862 RESID 64 (W): CB 29.397 29.397 29.538 -0.141 RESID 64 (W): H 8.970 8.970 9.552 -0.582 RESID 65 (D): N 119.607 119.607 126.159 -6.552 RESID 65 (D): C 174.514 174.514 175.988 -1.474 RESID 65 (D): CA 55.164 55.164 53.462 1.702 RESID 65 (D): CB 41.109 41.109 43.377 -2.268 RESID 65 (D): H 8.638 8.638 9.224 -0.586 RESID 66 (T): N 122.463 122.463 117.671 4.792 RESID 66 (T): C 178.617 178.617 174.166 4.451 RESID 66 (T): CA 68.048 68.048 59.902 8.146 RESID 66 (T): CB 71.562 71.562 71.228 0.334 RESID 66 (T): H 8.293 8.293 8.374 -0.081 RESID 67 (A): N 104.865 104.865 123.279 -18.414 RESID 67 (A): C 177.738 177.738 177.387 0.351 RESID 67 (A): CA 48.722 48.722 51.753 -3.031 RESID 67 (A): CB 14.171 14.171 19.951 -5.780 RESID 67 (A): H 8.657 8.657 7.883 0.774 RESID 68 (G): N 115.357 115.357 110.137 5.220 RESID 68 (G): C 189.533 189.533 176.126 13.407 RESID 68 (G): CA 45.209 45.209 46.142 -0.933 RESID 68 (G): H 10.969 10.969 9.043 1.926 RESID 69 (Q): N 122.730 122.730 119.960 2.770 RESID 69 (Q): C 174.508 174.508 176.469 -1.961 RESID 69 (Q): CA 58.394 58.394 57.744 0.650 RESID 69 (Q): CB 31.441 31.441 28.654 2.787 RESID 69 (Q): H 8.336 8.336 8.556 -0.220 RESID 70 (E): N 114.826 114.826 120.169 -5.343 RESID 70 (E): C 176.273 176.273 175.773 0.500 RESID 70 (E): CA 57.507 57.507 56.362 1.145 RESID 70 (E): CB 28.811 28.811 30.325 -1.514 RESID 70 (E): H 9.651 9.651 8.336 1.315 RESID 71 (K): N 116.685 116.685 122.614 -5.929 RESID 71 (K): C 175.979 175.979 176.650 -0.671 RESID 71 (K): CA 48.722 48.722 56.065 -7.343 RESID 71 (K): CB 37.010 37.010 33.012 3.998 RESID 71 (K): H 8.712 8.712 8.251 0.461 RESID 72 (F): N 114.959 114.959 120.357 -5.398 RESID 72 (F): C 175.686 175.686 176.978 -1.292 RESID 72 (F): CA 56.336 56.336 58.808 -2.472 RESID 72 (F): CB 36.424 36.424 38.831 -2.407 RESID 72 (F): H 7.965 7.965 8.142 -0.177 RESID 73 (G): N 117.084 117.084 111.163 5.921 RESID 73 (G): C 168.068 168.068 174.475 -6.407 RESID 73 (G): CA 42.281 42.281 44.892 -2.611 RESID 73 (G): H 7.609 7.609 7.867 -0.258 RESID 74 (G): N 120.537 120.537 108.350 12.187 RESID 74 (G): C 174.514 174.514 176.411 -1.897 RESID 74 (G): CA 44.037 44.037 46.492 -2.455 RESID 74 (G): H 9.326 9.326 8.673 0.653 RESID 75 (L): N 127.177 127.177 121.565 5.612 RESID 75 (L): C 178.617 178.617 178.198 0.419 RESID 75 (L): CA 53.407 53.407 57.103 -3.696 RESID 75 (L): CB 42.281 42.281 41.690 0.591 RESID 75 (L): H 7.628 7.628 7.765 -0.137 RESID 76 (R): N 116.486 116.486 115.618 0.868 RESID 76 (R): C 176.859 176.859 176.942 -0.083 RESID 76 (R): CA 59.264 59.264 54.822 4.442 RESID 76 (R): CB 31.154 31.154 29.320 1.834 RESID 76 (R): H 7.143 7.143 7.480 -0.337 RESID 77 (D): N 129.236 129.236 120.367 8.869 RESID 77 (D): C 177.152 177.152 177.870 -0.718 RESID 77 (D): CA 52.822 52.822 57.553 -4.731 RESID 77 (D): CB 41.695 41.695 40.314 1.381 RESID 77 (D): H 8.947 8.947 7.528 1.419 RESID 78 (G): N 127.244 127.244 107.264 19.980 RESID 78 (G): C 173.928 173.928 176.511 -2.583 RESID 78 (G): CA 44.623 44.623 47.112 -2.490 RESID 78 (G): H 8.219 8.219 8.429 -0.210 RESID 79 (Y): N 120.537 120.537 119.087 1.450 RESID 79 (Y): C 176.273 176.273 177.492 -1.219 RESID 79 (Y): CA 58.678 58.678 58.804 -0.126 RESID 79 (Y): CB 40.524 40.524 38.035 2.489 RESID 79 (Y): H 8.563 8.563 7.534 1.029 RESID 80 (Y): N 122.132 122.132 118.062 4.070 RESID 80 (Y): C 175.979 175.979 175.803 0.176 RESID 80 (Y): CA 62.203 62.203 59.203 3.000 RESID 80 (Y): CB 41.988 41.988 39.520 2.468 RESID 80 (Y): H 8.254 8.254 7.616 0.638 RESID 81 (I): N 120.072 120.072 120.492 -0.420 RESID 81 (I): C 177.445 177.445 175.920 1.525 RESID 81 (I): CA 67.462 67.462 63.404 4.058 RESID 81 (I): CB 41.109 41.109 38.142 2.967 RESID 81 (I): H 8.837 8.837 7.930 0.907 RESID 82 (Q): N 121.601 121.601 119.763 1.838 RESID 82 (Q): C 173.342 173.342 174.449 -1.107 RESID 82 (Q): CA 59.859 59.859 56.377 3.482 RESID 82 (Q): CB 30.855 30.855 26.331 4.524 RESID 82 (Q): H 8.184 8.184 8.977 -0.793 RESID 83 (A): N 109.713 109.713 120.697 -10.984 RESID 83 (A): C 175.979 175.979 177.109 -1.130 RESID 83 (A): CA 54.579 54.579 52.602 1.977 RESID 83 (A): CB 16.513 16.513 19.234 -2.721 RESID 83 (A): H 6.306 6.306 7.373 -1.067 RESID 84 (Q): N 121.203 121.203 120.728 0.475 RESID 84 (Q): C 177.144 177.144 176.055 1.089 RESID 84 (Q): CA 60.152 60.152 56.340 3.812 RESID 84 (Q): CB 34.957 34.957 30.905 4.052 RESID 84 (Q): H 8.180 8.180 8.679 -0.499 RESID 85 (C): N 120.605 120.605 111.883 8.722 RESID 85 (C): C 176.566 176.566 172.682 3.884 RESID 85 (C): CA 65.430 65.430 56.069 9.361 RESID 85 (C): CB 39.644 39.644 31.744 7.900 RESID 85 (C): H 8.364 8.364 7.852 0.512 RESID 86 (A): N 114.295 114.295 121.971 -7.676 RESID 86 (A): CA 57.507 57.507 50.677 6.830 RESID 86 (A): CB 21.784 21.784 22.928 -1.144 RESID 86 (A): H 6.897 6.897 8.778 -1.881 RESID 87 (I): N 120.670 120.670 120.846 -0.176 RESID 87 (I): C 173.928 173.928 174.665 -0.737 RESID 87 (I): CA 61.020 61.020 59.981 1.039 RESID 87 (I): CB 39.938 39.938 41.314 -1.376 RESID 87 (I): H 8.282 8.282 8.611 -0.329 RESID 88 (I): N 120.205 120.205 126.985 -6.780 RESID 88 (I): C 173.635 173.635 174.347 -0.712 RESID 88 (I): CA 64.534 64.534 60.160 4.374 RESID 88 (I): CB 37.596 37.596 40.095 -2.499 RESID 88 (I): H 5.528 5.528 9.040 -3.512 RESID 89 (M): N 120.472 120.472 127.532 -7.060 RESID 89 (M): C 178.617 178.617 174.516 4.101 RESID 89 (M): CA 58.980 58.980 53.769 5.211 RESID 89 (M): CB 34.957 34.957 35.947 -0.990 RESID 89 (M): H 8.176 8.176 8.554 -0.378 RESID 90 (F): N 121.134 121.134 120.724 0.410 RESID 90 (F): C 175.393 175.393 173.103 2.290 RESID 90 (F): CA 60.435 60.435 55.435 5.000 RESID 90 (F): CB 38.767 38.767 42.382 -3.615 RESID 90 (F): H 9.334 9.334 8.857 0.477 RESID 91 (D): N 120.273 120.273 121.440 -1.167 RESID 91 (D): C 177.730 177.730 178.140 -0.410 RESID 91 (D): CA 59.859 59.859 51.771 8.088 RESID 91 (D): CB 44.039 44.039 42.833 1.206 RESID 91 (D): H 7.597 7.597 8.882 -1.285 RESID 92 (V): N 115.158 115.158 123.777 -8.619 RESID 92 (V): C 173.342 173.342 176.714 -3.372 RESID 92 (V): CA 64.534 64.534 65.089 -0.555 RESID 92 (V): CB 37.596 37.596 31.377 6.219 RESID 92 (V): H 7.738 7.738 8.519 -0.781 RESID 93 (T): N 127.179 127.179 110.452 16.727 RESID 93 (T): C 178.902 178.902 174.834 4.068 RESID 93 (T): CA 64.254 64.254 63.407 0.846 RESID 93 (T): CB 74.215 74.215 69.129 5.085 RESID 93 (T): H 7.636 7.636 8.191 -0.555 RESID 94 (S): N 122.263 122.263 117.124 5.139 RESID 94 (S): C 163.965 163.965 174.557 -10.592 RESID 94 (S): CA 59.849 59.849 55.819 4.030 RESID 94 (S): CB 62.192 62.192 64.287 -2.095 RESID 94 (S): H 7.628 7.628 7.880 -0.252 RESID 95 (R): N 113.099 113.099 129.898 -16.799 RESID 95 (R): C 176.273 176.273 177.778 -1.505 RESID 95 (R): CA 53.407 53.407 58.866 -5.459 RESID 95 (R): CB 31.154 31.154 29.655 1.499 RESID 95 (R): H 8.102 8.102 9.180 -1.078 RESID 96 (V): N 124.787 124.787 118.608 6.179 RESID 96 (V): C 178.031 178.031 177.903 0.128 RESID 96 (V): CA 68.634 68.634 66.555 2.079 RESID 96 (V): CB 24.126 24.126 31.404 -7.278 RESID 96 (V): H 9.146 9.146 8.051 1.095 RESID 97 (T): N 111.970 111.970 116.467 -4.497 RESID 97 (T): C 178.031 178.031 176.227 1.804 RESID 97 (T): CA 63.949 63.949 66.481 -2.532 RESID 97 (T): CB 70.390 70.390 68.990 1.400 RESID 97 (T): H 7.984 7.984 7.669 0.315 RESID 98 (Y): N 113.232 113.232 121.349 -8.117 RESID 98 (Y): C 176.273 176.273 177.676 -1.403 RESID 98 (Y): H 7.605 7.605 7.834 -0.229 RESID 99 (K): N 123.726 123.726 118.862 4.864 RESID 99 (K): C 178.316 178.316 178.484 -0.168 RESID 99 (K): CA 58.691 58.691 59.438 -0.747 RESID 99 (K): CB 36.127 36.127 32.071 4.056 RESID 99 (K): H 8.360 8.360 8.024 0.336 RESID 100 (N): N 111.970 111.970 116.229 -4.259 RESID 100 (N): C 175.979 175.979 176.778 -0.799 RESID 100 (N): CA 53.407 53.407 55.045 -1.638 RESID 100 (N): CB 37.596 37.596 38.632 -1.036 RESID 100 (N): H 5.778 5.778 7.881 -2.103 RESID 101 (V): N 118.877 118.877 121.635 -2.758 RESID 101 (V): C 173.635 173.635 175.011 -1.376 RESID 101 (V): CA 62.777 62.777 68.439 -5.662 RESID 101 (V): CB 27.054 27.054 29.236 -2.182 RESID 101 (V): H 7.370 7.370 7.514 -0.144 RESID 102 (P): C 176.566 176.566 177.590 -1.024 RESID 102 (P): CA 62.500 62.500 65.570 -3.070 RESID 102 (P): CB 30.853 30.853 31.039 -0.186 RESID 103 (N): N 122.728 122.728 115.577 7.151 RESID 103 (N): C 175.100 175.100 176.950 -1.850 RESID 103 (N): CA 54.579 54.579 55.087 -0.508 RESID 103 (N): CB 38.767 38.767 37.055 1.712 RESID 103 (N): H 7.879 7.879 7.286 0.593 RESID 104 (W): N 122.730 122.730 119.800 2.930 RESID 104 (W): C 174.215 174.215 176.928 -2.713 RESID 104 (W): CA 59.273 59.273 60.579 -1.306 RESID 104 (W): CB 35.250 35.250 30.018 5.232 RESID 104 (W): H 7.902 7.902 7.925 -0.023 RESID 105 (H): N 120.869 120.869 117.725 3.144 RESID 105 (H): C 177.738 177.738 173.702 4.036 RESID 105 (H): H 6.971 6.971 8.447 -1.476 RESID 106 (R): N 126.314 126.314 121.314 5.000 RESID 106 (R): C 176.566 176.566 177.005 -0.439 RESID 106 (R): CA 62.777 62.777 57.369 5.408 RESID 106 (R): CB 29.397 29.397 31.603 -2.206 RESID 106 (R): H 7.507 7.507 7.863 -0.356 RESID 107 (D): N 119.076 119.076 122.283 -3.207 RESID 107 (D): C 176.566 176.566 178.676 -2.110 RESID 107 (D): CA 55.164 55.164 57.583 -2.419 RESID 107 (D): CB 41.695 41.695 40.748 0.947 RESID 107 (D): H 9.076 9.076 7.856 1.220 RESID 108 (L): N 113.299 113.299 120.141 -6.842 RESID 108 (L): C 176.273 176.273 178.270 -1.997 RESID 108 (L): CA 59.264 59.264 58.083 1.181 RESID 108 (L): CB 48.722 48.722 41.294 7.428 RESID 108 (L): H 6.725 6.725 7.932 -1.207 RESID 109 (V): N 121.267 121.267 118.584 2.683 RESID 109 (V): C 175.393 175.393 178.685 -3.292 RESID 109 (V): CA 63.949 63.949 66.258 -2.309 RESID 109 (V): CB 32.911 32.911 31.134 1.776 RESID 109 (V): H 8.763 8.763 7.754 1.009 RESID 110 (R): N 112.900 112.900 119.128 -6.228 RESID 110 (R): C 176.273 176.273 178.358 -2.085 RESID 110 (R): CA 57.507 57.507 59.372 -1.865 RESID 110 (R): CB 30.568 30.568 30.205 0.363 RESID 110 (R): H 7.241 7.241 7.756 -0.515 RESID 111 (V): N 115.556 115.556 117.891 -2.335 RESID 111 (V): C 177.445 177.445 177.294 0.151 RESID 111 (V): CA 59.849 59.849 65.875 -6.026 RESID 111 (V): CB 32.911 32.911 32.621 0.290 RESID 111 (V): H 7.566 7.566 7.647 -0.081 RESID 112 (C): N 114.295 114.295 115.318 -1.023 RESID 112 (C): C 169.826 169.826 174.572 -4.746 RESID 112 (C): CA 57.507 57.507 58.970 -1.463 RESID 112 (C): CB 35.839 35.839 28.746 7.093 RESID 112 (C): H 7.425 7.425 8.374 -0.949 RESID 113 (E): N 116.486 116.486 119.503 -3.017 RESID 113 (E): C 176.566 176.566 175.596 0.970 RESID 113 (E): CA 69.219 69.219 58.338 10.881 RESID 113 (E): CB 30.568 30.568 28.681 1.887 RESID 113 (E): H 7.241 7.241 8.145 -0.904 RESID 114 (N): N 129.302 129.302 121.964 7.338 RESID 114 (N): C 175.100 175.100 174.982 0.118 RESID 114 (N): CA 52.236 52.236 52.812 -0.577 RESID 114 (N): CB 39.938 39.938 38.096 1.842 RESID 114 (N): H 8.919 8.919 8.371 0.548 RESID 115 (I): N 110.443 110.443 120.868 -10.425 RESID 115 (I): C 175.100 175.100 173.240 1.860 RESID 115 (I): CA 65.705 65.705 58.053 7.652 RESID 115 (I): CB 39.353 39.353 40.200 -0.847 RESID 115 (I): H 9.287 9.287 7.877 1.410 RESID 116 (P): C 175.979 175.979 175.605 0.374 RESID 116 (P): CA 63.086 63.086 63.284 -0.198 RESID 116 (P): CB 29.681 29.681 32.201 -2.520 RESID 117 (I): N 123.591 123.591 124.643 -1.052 RESID 117 (I): C 174.807 174.807 174.976 -0.169 RESID 117 (I): CA 66.291 66.291 60.329 5.962 RESID 117 (I): CB 38.767 38.767 42.139 -3.372 RESID 117 (I): H 7.781 7.781 8.534 -0.753 RESID 118 (V): N 119.009 119.009 125.925 -6.916 RESID 118 (V): C 178.324 178.324 174.709 3.615 RESID 118 (V): CA 62.777 62.777 60.711 2.066 RESID 118 (V): CB 31.154 31.154 34.096 -2.942 RESID 118 (V): H 8.767 8.767 8.768 -0.001 RESID 119 (L): N 119.408 119.408 126.698 -7.290 RESID 119 (L): C 178.031 178.031 176.020 2.011 RESID 119 (L): CA 42.866 42.866 53.792 -10.926 RESID 119 (L): CB 38.767 38.767 43.802 -5.035 RESID 119 (L): H 7.734 7.734 9.204 -1.470 RESID 120 (C): N 113.232 113.232 122.422 -9.190 RESID 120 (C): C 178.031 178.031 174.219 3.812 RESID 120 (C): H 8.317 8.317 9.144 -0.827 RESID 121 (G): N 117.349 117.349 113.433 3.916 RESID 121 (G): C 176.851 176.851 172.785 4.066 RESID 121 (G): CA 41.109 41.109 43.620 -2.511 RESID 121 (G): H 7.515 7.515 8.925 -1.410 RESID 122 (N): N 125.318 125.318 123.640 1.678 RESID 122 (N): C 175.686 175.686 175.768 -0.082 RESID 122 (N): CA 50.479 50.479 49.908 0.571 RESID 122 (N): CB 39.353 39.353 40.924 -1.571 RESID 122 (N): H 9.162 9.162 8.590 0.572 RESID 123 (K): N 122.132 122.132 114.219 7.913 RESID 123 (K): C 173.043 173.043 177.120 -4.077 RESID 123 (K): CA 58.101 58.101 57.479 0.622 RESID 123 (K): CB 35.543 35.543 29.712 5.831 RESID 123 (K): H 7.953 7.953 8.545 -0.592 RESID 124 (V): N 123.726 123.726 112.845 10.881 RESID 124 (V): C 175.679 175.679 176.266 -0.587 RESID 124 (V): CA 64.840 64.840 64.529 0.311 RESID 124 (V): CB 42.574 42.574 31.422 11.152 RESID 124 (V): H 8.555 8.555 7.590 0.965 RESID 125 (D): N 119.607 119.607 119.604 0.003 RESID 125 (D): C 176.566 176.566 177.013 -0.447 RESID 125 (D): CA 55.750 55.750 56.218 -0.468 RESID 125 (D): CB 40.524 40.524 40.689 -0.165 RESID 125 (D): H 7.875 7.875 8.162 -0.287 RESID 126 (I): N 116.088 116.088 120.859 -4.771 RESID 126 (I): C 177.152 177.152 176.431 0.721 RESID 126 (I): CA 66.291 66.291 61.823 4.468 RESID 126 (I): CB 39.353 39.353 38.296 1.057 RESID 126 (I): H 7.511 7.511 7.431 0.080 RESID 127 (K): N 121.203 121.203 125.065 -3.862 RESID 127 (K): C 175.979 175.979 177.384 -1.405 RESID 127 (K): CA 58.101 58.101 58.435 -0.334 RESID 127 (K): CB 35.834 35.834 32.606 3.228 RESID 127 (K): H 8.113 8.113 8.335 -0.222 RESID 128 (D): N 118.279 118.279 120.162 -1.883 RESID 128 (D): C 176.566 176.566 174.660 1.906 RESID 128 (D): CA 53.407 53.407 53.060 0.347 RESID 128 (D): CB 40.524 40.524 39.803 0.721 RESID 128 (D): H 7.241 7.241 8.206 -0.965 RESID 129 (R): N 118.943 118.943 123.413 -4.470 RESID 129 (R): C 177.738 177.738 176.344 1.394 RESID 129 (R): CA 45.794 45.794 56.102 -10.308 RESID 129 (R): CB 31.154 31.154 31.135 0.019 RESID 129 (R): H 8.423 8.423 7.890 0.533 RESID 130 (K): N 109.381 109.381 125.492 -16.111 RESID 130 (K): C 176.566 176.566 176.642 -0.076 RESID 130 (K): CA 55.164 55.164 57.609 -2.445 RESID 130 (K): CB 36.424 36.424 33.576 2.848 RESID 130 (K): H 7.296 7.296 8.404 -1.108 RESID 131 (V): N 110.377 110.377 122.056 -11.679 RESID 131 (V): C 178.617 178.617 174.355 4.262 RESID 131 (V): CA 65.705 65.705 61.631 4.074 RESID 131 (V): CB 35.839 35.839 31.457 4.382 RESID 131 (V): H 9.283 9.283 8.213 1.070 RESID 132 (K): N 110.310 110.310 128.203 -17.893 RESID 132 (K): C 176.273 176.273 177.162 -0.889 RESID 132 (K): CA 59.849 59.849 56.051 3.798 RESID 132 (K): CB 35.253 35.253 33.646 1.607 RESID 132 (K): H 9.709 9.709 8.231 1.478 RESID 133 (A): N 134.349 134.349 128.244 6.105 RESID 133 (A): CA 51.065 51.065 54.802 -3.737 RESID 133 (A): CB 12.999 12.999 18.384 -5.385 RESID 133 (A): H 6.322 6.322 8.808 -2.486 RESID 134 (K): N 117.615 117.615 117.768 -0.153 RESID 134 (K): C 176.859 176.859 177.951 -1.092 RESID 134 (K): CA 55.750 55.750 58.690 -2.940 RESID 134 (K): CB 54.579 54.579 32.395 22.184 RESID 134 (K): H 6.549 6.549 8.172 -1.623 RESID 135 (S): N 109.314 109.314 114.193 -4.879 RESID 135 (S): C 173.635 173.635 174.978 -1.343 RESID 135 (S): CA 56.336 56.336 59.639 -3.303 RESID 135 (S): CB 63.949 63.949 63.072 0.877 RESID 135 (S): H 7.840 7.840 7.720 0.120 RESID 136 (I): N 124.123 124.123 122.267 1.856 RESID 136 (I): C 175.100 175.100 175.393 -0.293 RESID 136 (I): CA 68.634 68.634 62.891 5.743 RESID 136 (I): CB 43.452 43.452 38.017 5.436 RESID 136 (I): H 8.098 8.098 7.391 0.707 RESID 137 (V): N 113.232 113.232 126.390 -13.158 RESID 137 (V): C 176.859 176.859 176.006 0.853 RESID 137 (V): CA 64.534 64.534 61.479 3.055 RESID 137 (V): CB 34.082 34.082 34.149 -0.067 RESID 137 (V): H 7.711 7.711 8.427 -0.716 RESID 138 (F): N 118.279 118.279 122.589 -4.310 RESID 138 (F): C 175.393 175.393 176.086 -0.693 RESID 138 (F): CA 58.092 58.092 62.145 -4.053 RESID 138 (F): CB 39.353 39.353 39.075 0.278 RESID 138 (F): H 8.317 8.317 7.723 0.594 RESID 139 (H): N 120.605 120.605 116.085 4.520 RESID 139 (H): C 175.979 175.979 177.050 -1.071 RESID 139 (H): CA 67.775 67.775 59.380 8.395 RESID 139 (H): CB 35.836 35.836 28.909 6.927 RESID 139 (H): H 8.094 8.094 8.938 -0.844 RESID 140 (R): N 120.140 120.140 120.183 -0.043 RESID 140 (R): C 178.023 178.023 179.216 -1.193 RESID 140 (R): CA 58.394 58.394 59.221 -0.827 RESID 140 (R): CB 39.644 39.644 29.682 9.962 RESID 140 (R): H 8.149 8.149 6.941 1.208 RESID 141 (K): N 115.623 115.623 120.302 -4.679 RESID 141 (K): C 173.635 173.635 178.165 -4.530 RESID 141 (K): CA 58.092 58.092 58.761 -0.669 RESID 141 (K): CB 33.496 33.496 32.308 1.188 RESID 141 (K): H 7.449 7.449 7.559 -0.110 RESID 142 (K): N 114.162 114.162 116.033 -1.871 RESID 142 (K): C 175.979 175.979 175.886 0.093 RESID 142 (K): CA 51.065 51.065 54.878 -3.813 RESID 142 (K): CB 34.668 34.668 32.247 2.421 RESID 142 (K): H 8.982 8.982 7.756 1.226 RESID 143 (N): N 112.103 112.103 114.853 -2.750 RESID 143 (N): C 175.100 175.100 174.208 0.892 RESID 143 (N): CA 53.407 53.407 53.936 -0.529 RESID 143 (N): CB 39.938 39.938 36.489 3.450 RESID 143 (N): H 7.402 7.402 7.678 -0.276 RESID 144 (L): N 118.810 118.810 116.961 1.849 RESID 144 (L): CA 53.993 53.993 53.353 0.640 RESID 144 (L): CB 42.866 42.866 44.268 -1.402 RESID 144 (L): H 7.793 7.793 8.037 -0.244 RESID 145 (Q): N 119.607 119.607 117.845 1.762 RESID 145 (Q): C 176.859 176.859 174.233 2.626 RESID 145 (Q): CA 55.164 55.164 53.458 1.706 RESID 145 (Q): CB 29.983 29.983 30.781 -0.798 RESID 145 (Q): H 7.014 7.014 7.983 -0.969 RESID 146 (Y): N 119.275 119.275 124.702 -5.427 RESID 146 (Y): C 174.807 174.807 174.388 0.419 RESID 146 (Y): CA 62.777 62.777 56.121 6.656 RESID 146 (Y): CB 41.109 41.109 40.450 0.659 RESID 146 (Y): H 9.350 9.350 8.214 1.136 RESID 147 (Y): N 123.658 123.658 125.736 -2.078 RESID 147 (Y): C 177.738 177.738 173.781 3.957 RESID 147 (Y): CA 58.092 58.092 56.231 1.861 RESID 147 (Y): CB 39.938 39.938 41.955 -2.017 RESID 147 (Y): H 8.340 8.340 8.668 -0.328 RESID 148 (D): N 121.267 121.267 123.661 -2.394 RESID 148 (D): C 176.859 176.859 175.234 1.625 RESID 148 (D): CA 54.579 54.579 54.374 0.205 RESID 148 (D): CB 41.109 41.109 41.742 -0.633 RESID 148 (D): H 8.911 8.911 8.327 0.584 RESID 149 (I): N 119.607 119.607 118.749 0.858 RESID 149 (I): C 174.807 174.807 174.340 0.467 RESID 149 (I): CA 61.020 61.020 59.093 1.927 RESID 149 (I): CB 39.353 39.353 42.607 -3.254 RESID 149 (I): H 8.712 8.712 8.662 0.050 RESID 150 (S): N 117.349 117.349 116.944 0.405 RESID 150 (S): C 175.686 175.686 174.445 1.241 RESID 150 (S): CA 60.435 60.435 55.416 5.019 RESID 150 (S): CB 62.192 62.192 65.426 -3.234 RESID 150 (S): H 8.454 8.454 8.492 -0.038 RESID 151 (A): N 131.162 131.162 131.161 0.001 RESID 151 (A): C 160.742 160.742 179.235 -18.493 RESID 151 (A): CA 53.993 53.993 54.931 -0.938 RESID 151 (A): CB 22.369 22.369 18.736 3.632 RESID 151 (A): H 10.640 10.640 8.988 1.652 RESID 152 (K): N 121.400 121.400 118.646 2.754 RESID 152 (K): C 174.221 174.221 177.941 -3.720 RESID 152 (K): CA 59.849 59.849 58.447 1.402 RESID 152 (K): CB 34.668 34.668 32.627 2.041 RESID 152 (K): H 9.099 9.099 8.265 0.834 RESID 153 (S): N 135.212 135.212 110.916 24.296 RESID 153 (S): C 177.152 177.152 174.863 2.289 RESID 153 (S): CA 62.192 62.192 58.301 3.891 RESID 153 (S): CB 66.291 66.291 64.176 2.115 RESID 153 (S): H 8.935 8.935 7.793 1.143 RESID 154 (N): N 119.341 119.341 116.355 2.986 RESID 154 (N): C 175.979 175.979 174.055 1.924 RESID 154 (N): CA 49.894 49.894 54.552 -4.658 RESID 154 (N): CB 39.353 39.353 36.736 2.617 RESID 154 (N): H 7.488 7.488 8.158 -0.670 RESID 155 (Y): N 120.074 120.074 123.289 -3.215 RESID 155 (Y): C 177.144 177.144 175.286 1.858 RESID 155 (Y): CA 60.738 60.738 59.470 1.268 RESID 155 (Y): CB 41.402 41.402 38.467 2.935 RESID 155 (Y): H 7.945 7.945 7.524 0.421 RESID 156 (N): N 124.058 124.058 122.610 1.448 RESID 156 (N): C 175.679 175.679 175.692 -0.013 RESID 156 (N): CA 53.121 53.121 54.320 -1.199 RESID 156 (N): CB 38.179 38.179 35.760 2.419 RESID 156 (N): H 8.192 8.192 8.986 -0.794 RESID 157 (F): N 123.459 123.459 117.023 6.436 RESID 157 (F): C 174.221 174.221 176.127 -1.906 RESID 157 (F): CA 57.507 57.507 60.747 -3.240 RESID 157 (F): CB 39.353 39.353 38.577 0.776 RESID 157 (F): H 7.429 7.429 7.919 -0.490 RESID 158 (E): N 112.568 112.568 116.991 -4.423 RESID 158 (E): C 176.566 176.566 177.788 -1.222 RESID 158 (E): CA 72.147 72.147 56.836 15.311 RESID 158 (E): CB 27.640 27.640 28.507 -0.867 RESID 158 (E): H 7.495 7.495 7.975 -0.480 RESID 159 (K): N 113.232 113.232 119.734 -6.502 RESID 159 (K): C 176.566 176.566 175.844 0.722 RESID 159 (K): CA 53.993 53.993 61.455 -7.462 RESID 159 (K): CB 33.496 33.496 30.079 3.417 RESID 159 (K): H 6.862 6.862 7.287 -0.425 RESID 160 (P): C 176.273 176.273 178.526 -2.253 RESID 160 (P): CA 64.258 64.258 65.478 -1.220 RESID 160 (P): CB 32.318 32.318 31.064 1.254 RESID 161 (F): N 123.726 123.726 116.988 6.738 RESID 161 (F): C 176.851 176.851 177.551 -0.700 RESID 161 (F): CA 60.445 60.445 61.967 -1.522 RESID 161 (F): CB 40.816 40.816 37.566 3.250 RESID 161 (F): H 8.215 8.215 7.216 0.999 RESID 162 (L): N 110.177 110.177 119.037 -8.860 RESID 162 (L): C 176.273 176.273 178.674 -2.401 RESID 162 (L): CA 55.750 55.750 57.891 -2.141 RESID 162 (L): CB 44.037 44.037 41.469 2.568 RESID 162 (L): H 7.527 7.527 7.906 -0.379 RESID 163 (W): N 123.525 123.525 121.468 2.057 RESID 163 (W): C 177.152 177.152 177.967 -0.815 RESID 163 (W): CA 61.606 61.606 62.193 -0.587 RESID 163 (W): CB 28.811 28.811 29.506 -0.695 RESID 163 (W): H 7.476 7.476 8.267 -0.791 RESID 164 (L): N 119.740 119.740 119.083 0.657 RESID 164 (L): C 175.686 175.686 178.877 -3.191 RESID 164 (L): CA 61.020 61.020 57.839 3.181 RESID 164 (L): CB 45.794 45.794 41.337 4.457 RESID 164 (L): H 9.412 9.412 8.079 1.333 RESID 165 (A): N 118.013 118.013 121.362 -3.349 RESID 165 (A): C 165.723 165.723 179.536 -13.813 RESID 165 (A): CA 52.236 52.236 55.207 -2.971 RESID 165 (A): CB 21.784 21.784 18.176 3.608 RESID 165 (A): H 7.707 7.707 8.287 -0.580 RESID 166 (R): N 122.994 122.994 118.442 4.552 RESID 166 (R): C 175.979 175.979 178.795 -2.816 RESID 166 (R): CA 49.308 49.308 59.186 -9.878 RESID 166 (R): CB 29.397 29.397 30.105 -0.708 RESID 166 (R): H 8.692 8.692 8.155 0.537 RESID 167 (K): N 112.568 112.568 120.042 -7.474 RESID 167 (K): C 176.273 176.273 179.136 -2.863 RESID 167 (K): CA 58.092 58.092 58.346 -0.254 RESID 167 (K): CB 34.668 34.668 31.342 3.326 RESID 167 (K): H 6.819 6.819 7.395 -0.576 RESID 168 (L): N 114.959 114.959 119.481 -4.522 RESID 168 (L): C 177.738 177.738 178.951 -1.213 RESID 168 (L): CA 56.921 56.921 57.504 -0.583 RESID 168 (L): CB 41.695 41.695 41.609 0.086 RESID 168 (L): H 7.269 7.269 7.691 -0.422 RESID 169 (I): N 122.199 122.199 117.142 5.057 RESID 169 (I): C 177.445 177.445 177.091 0.354 RESID 169 (I): CA 63.375 63.375 63.107 0.268 RESID 169 (I): CB 42.281 42.281 38.573 3.708 RESID 169 (I): H 8.360 8.360 8.060 0.300 RESID 170 (G): N 113.099 113.099 106.739 6.360 RESID 170 (G): C 162.496 162.496 173.921 -11.425 RESID 170 (G): CA 44.037 44.037 44.807 -0.770 RESID 170 (G): H 6.686 6.686 7.991 -1.305 RESID 171 (D): N 113.232 113.232 121.675 -8.443 RESID 171 (D): C 178.910 178.910 175.581 3.329 RESID 171 (D): CA 50.479 50.479 50.514 -0.035 RESID 171 (D): CB 41.109 41.109 41.870 -0.761 RESID 171 (D): H 6.815 6.815 7.691 -0.876 RESID 172 (P): C 176.566 176.566 177.030 -0.464 RESID 172 (P): CA 63.965 63.965 64.160 -0.195 RESID 172 (P): CB 31.732 31.732 32.273 -0.541 RESID 173 (N): N 109.779 109.779 116.432 -6.653 RESID 173 (N): C 175.979 175.979 174.711 1.268 RESID 173 (N): CA 54.579 54.579 52.933 1.646 RESID 173 (N): CB 36.424 36.424 38.781 -2.357 RESID 173 (N): H 8.016 8.016 8.433 -0.417 RESID 174 (L): N 109.248 109.248 123.190 -13.942 RESID 174 (L): C 176.566 176.566 175.703 0.863 RESID 174 (L): CA 56.336 56.336 55.995 0.341 RESID 174 (L): CB 44.037 44.037 42.714 1.323 RESID 174 (L): H 7.871 7.871 7.219 0.652 RESID 175 (E): N 125.185 125.185 125.332 -0.147 RESID 175 (E): C 177.445 177.445 174.907 2.538 RESID 175 (E): CA 76.247 76.247 54.046 22.201 RESID 175 (E): CB 28.811 28.811 33.900 -5.089 RESID 175 (E): H 9.127 9.127 8.175 0.952 RESID 176 (F): N 136.873 136.873 122.992 13.881 RESID 176 (F): C 178.617 178.617 175.829 2.788 RESID 176 (F): CA 59.264 59.264 58.299 0.965 RESID 176 (F): CB 44.623 44.623 40.242 4.381 RESID 176 (F): H 10.058 10.058 8.615 1.443 RESID 177 (V): N 118.877 118.877 124.087 -5.210 RESID 177 (V): C 177.445 177.445 174.108 3.337 RESID 177 (V): CA 62.777 62.777 59.049 3.728 RESID 177 (V): CB 34.668 34.668 34.062 0.606 RESID 177 (V): H 7.789 7.789 7.975 -0.186 RESID 178 (A): N 123.859 123.859 125.970 -2.111 RESID 178 (A): C 177.144 177.144 177.182 -0.038 RESID 178 (A): CA 54.000 54.000 54.720 -0.720 RESID 178 (A): CB 15.035 15.035 19.000 -3.965 RESID 178 (A): H 7.683 7.683 8.227 -0.544 RESID 179 (M): N 121.668 121.668 117.101 4.567 RESID 179 (M): C 177.144 177.144 173.449 3.695 RESID 179 (M): CA 60.445 60.445 52.801 7.644 RESID 179 (M): CB 39.351 39.351 33.414 5.937 RESID 179 (M): H 7.648 7.648 7.686 -0.038 RESID 180 (P): C 177.445 177.445 175.304 2.141 RESID 180 (P): CA 64.844 64.844 62.288 2.556 RESID 180 (P): CB 29.974 29.974 33.233 -3.259 RESID 181 (A): N 128.439 128.439 123.993 4.446 RESID 181 (A): C 176.273 176.273 176.967 -0.694 RESID 181 (A): CA 58.092 58.092 51.746 6.346 RESID 181 (A): CB 21.198 21.198 19.482 1.716 RESID 181 (A): H 8.673 8.673 8.194 0.479 RESID 182 (L): N 122.130 122.130 121.070 1.060 RESID 182 (L): C 177.445 177.445 176.749 0.696 RESID 182 (L): CA 55.164 55.164 54.232 0.932 RESID 182 (L): CB 42.866 42.866 44.273 -1.407 RESID 182 (L): H 8.821 8.821 8.478 0.343 RESID 183 (A): N 121.004 121.004 125.784 -4.780 RESID 183 (A): C 178.617 178.617 175.776 2.841 RESID 183 (A): CA 57.808 57.808 50.136 7.672 RESID 183 (A): CB 24.117 24.117 18.631 5.486 RESID 183 (A): H 8.356 8.356 8.247 0.109 RESID 184 (P): C 177.152 177.152 175.094 2.058 RESID 184 (P): CA 64.258 64.258 61.945 2.313 RESID 184 (P): CB 29.681 29.681 31.429 -1.748 RESID 185 (P): C 175.686 175.686 177.118 -1.432 RESID 185 (P): CA 63.379 63.379 62.418 0.961 RESID 185 (P): CB 35.248 35.248 32.391 2.857 RESID 186 (E): N 120.539 120.539 119.710 0.829 RESID 186 (E): C 176.273 176.273 175.916 0.357 RESID 186 (E): CA 58.101 58.101 57.578 0.523 RESID 186 (E): CB 35.836 35.836 29.732 6.104 RESID 186 (E): H 8.086 8.086 8.473 -0.387 RESID 187 (V): N 124.455 124.455 117.332 7.123 RESID 187 (V): C 178.910 178.910 175.086 3.824 RESID 187 (V): CA 63.363 63.363 62.719 0.643 RESID 187 (V): CB 34.082 34.082 31.168 2.914 RESID 187 (V): H 8.622 8.622 7.926 0.696 RESID 188 (V): N 128.572 128.572 119.946 8.626 RESID 188 (V): C 178.324 178.324 176.335 1.989 RESID 188 (V): CA 68.634 68.634 60.927 7.707 RESID 188 (V): CB 31.154 31.154 33.888 -2.734 RESID 188 (V): H 8.497 8.497 7.831 0.666 RESID 189 (M): N 122.795 122.795 118.051 4.744 RESID 189 (M): C 177.445 177.445 176.139 1.306 RESID 189 (M): CA 55.164 55.164 57.470 -2.306 RESID 189 (M): CB 35.253 35.253 30.634 4.619 RESID 189 (M): H 6.991 6.991 8.673 -1.682 RESID 190 (D): N 114.959 114.959 118.037 -3.078 RESID 190 (D): C 175.686 175.686 175.756 -0.070 RESID 190 (D): CA 51.065 51.065 54.464 -3.398 RESID 190 (D): CB 41.695 41.695 39.462 2.233 RESID 190 (D): H 7.210 7.210 8.621 -1.411 RESID 191 (P): C 176.566 176.566 177.539 -0.973 RESID 191 (P): CA 63.965 63.965 64.639 -0.674 RESID 191 (P): CB 31.146 31.146 31.843 -0.697 RESID 192 (A): N 109.513 109.513 121.116 -11.603 RESID 192 (A): CA 53.993 53.993 53.423 0.570 RESID 192 (A): CB 19.441 19.441 18.559 0.882 RESID 192 (A): H 7.394 7.394 8.361 -0.967 RESID 193 (L): N 119.009 119.009 118.229 0.780 RESID 193 (L): C 175.979 175.979 176.548 -0.569 RESID 193 (L): CA 56.336 56.336 55.621 0.715 RESID 193 (L): CB 42.866 42.866 41.938 0.928 RESID 193 (L): H 8.340 8.340 7.855 0.485 RESID 194 (A): N 121.666 121.666 118.200 3.466 RESID 194 (A): C 166.896 166.896 177.677 -10.781 RESID 194 (A): CA 55.164 55.164 51.969 3.195 RESID 194 (A): CB 16.513 16.513 19.268 -2.755 RESID 194 (A): H 8.176 8.176 7.271 0.905 RESID 195 (A): N 119.541 119.541 119.580 -0.039 RESID 195 (A): C 173.928 173.928 178.825 -4.897 RESID 195 (A): CA 57.507 57.507 54.330 3.177 RESID 195 (A): CB 19.441 19.441 16.915 2.526 RESID 195 (A): H 8.364 8.364 8.877 -0.513 RESID 196 (Q): N 107.322 107.322 118.929 -11.607 RESID 196 (Q): C 176.273 176.273 178.089 -1.816 RESID 196 (Q): CA 56.921 56.921 58.969 -2.048 RESID 196 (Q): CB 29.983 29.983 28.806 1.177 RESID 196 (Q): H 7.910 7.910 7.636 0.274 RESID 197 (Y): N 119.277 119.277 118.165 1.112 RESID 197 (Y): C 178.316 178.316 178.712 -0.396 RESID 197 (Y): CA 56.343 56.343 59.525 -3.182 RESID 197 (Y): CB 43.453 43.453 37.542 5.911 RESID 197 (Y): H 8.180 8.180 7.881 0.299 RESID 198 (E): N 110.244 110.244 118.936 -8.692 RESID 198 (E): C 176.273 176.273 178.439 -2.166 RESID 198 (E): CA 53.407 53.407 59.731 -6.324 RESID 198 (E): CB 30.568 30.568 29.275 1.293 RESID 198 (E): H 7.523 7.523 8.428 -0.905 RESID 199 (H): N 119.211 119.211 119.812 -0.601 RESID 199 (H): C 178.902 178.902 177.412 1.490 RESID 199 (H): CA 58.687 58.687 59.942 -1.255 RESID 199 (H): CB 34.957 34.957 29.838 5.119 RESID 199 (H): H 8.258 8.258 8.335 -0.077 RESID 200 (D): N 124.722 124.722 119.942 4.780 RESID 200 (D): C 176.705 176.705 178.797 -2.092 RESID 200 (D): CA 58.687 58.687 57.416 1.271 RESID 200 (D): CB 39.644 39.644 40.536 -0.892 RESID 200 (D): H 8.086 8.086 8.049 0.037 RESID 201 (L): N 116.353 116.353 120.381 -4.028 RESID 201 (L): C 178.910 178.910 179.259 -0.349 RESID 201 (L): CA 61.606 61.606 58.174 3.432 RESID 201 (L): CB 41.109 41.109 41.837 -0.728 RESID 201 (L): H 7.722 7.722 7.895 -0.173 RESID 202 (E): N 118.080 118.080 118.899 -0.819 RESID 202 (E): C 176.566 176.566 179.344 -2.778 RESID 202 (E): CA 56.921 56.921 59.223 -2.302 RESID 202 (E): CB 30.568 30.568 29.225 1.343 RESID 202 (E): H 8.857 8.857 8.276 0.581 RESID 203 (V): N 129.369 129.369 120.233 9.136 RESID 203 (V): C 178.617 178.617 177.880 0.737 RESID 203 (V): CA 64.534 64.534 66.486 -1.952 RESID 203 (V): CB 27.640 27.640 31.000 -3.360 RESID 203 (V): H 9.283 9.283 8.052 1.231 RESID 204 (A): N 109.580 109.580 121.927 -12.347 RESID 204 (A): C 176.859 176.859 178.897 -2.038 RESID 204 (A): CA 54.579 54.579 54.918 -0.339 RESID 204 (A): CB 18.270 18.270 18.395 -0.125 RESID 204 (A): H 8.528 8.528 7.760 0.768 RESID 205 (Q): N 123.328 123.328 116.496 6.832 RESID 205 (Q): C 177.418 177.418 177.679 -0.261 RESID 205 (Q): CA 57.515 57.515 58.063 -0.548 RESID 205 (Q): CB 33.785 33.785 29.205 4.580 RESID 205 (Q): H 8.160 8.160 7.841 0.319 RESID 206 (T): N 120.271 120.271 113.891 6.380 RESID 206 (T): C 176.273 176.273 175.371 0.902 RESID 206 (T): CA 67.462 67.462 64.698 2.764 RESID 206 (T): CB 70.390 70.390 69.098 1.292 RESID 206 (T): H 7.585 7.585 7.963 -0.378 RESID 207 (T): N 111.970 111.970 118.968 -6.998 RESID 207 (T): C 176.566 176.566 174.018 2.548 RESID 207 (T): CA 64.534 64.534 63.651 0.883 RESID 207 (T): CB 72.733 72.733 69.518 3.215 RESID 207 (T): H 7.468 7.468 7.590 -0.122 RESID 208 (A): N 115.623 115.623 129.822 -14.199 RESID 208 (A): C 168.947 168.947 176.836 -7.889 RESID 208 (A): CA 55.164 55.164 52.305 2.859 RESID 208 (A): CB 22.369 22.369 19.663 2.706 RESID 208 (A): H 7.390 7.390 8.210 -0.820 RESID 209 (L): N 117.814 117.814 123.894 -6.080 RESID 209 (L): C 176.273 176.273 175.413 0.860 RESID 209 (L): CA 58.678 58.678 52.961 5.717 RESID 209 (L): CB 46.380 46.380 42.766 3.614 RESID 209 (L): H 7.652 7.652 8.405 -0.753 RESID 210 (P): C 176.566 176.566 175.739 0.827 RESID 210 (P): CA 63.086 63.086 62.244 0.842 RESID 210 (P): CB 31.146 31.146 32.676 -1.530 RESID 211 (D): N 122.863 122.863 119.951 2.912 RESID 211 (D): C 175.686 175.686 175.611 0.075 RESID 211 (D): CA 56.343 56.343 53.933 2.410 RESID 211 (D): CB 41.402 41.402 40.648 0.754 RESID 211 (D): H 8.360 8.360 8.301 0.059 RESID 212 (E): N 131.162 131.162 125.325 5.837 RESID 212 (E): C 176.273 176.273 176.440 -0.167 RESID 212 (E): CA 55.164 55.164 57.156 -1.992 RESID 212 (E): CB 30.568 30.568 31.328 -0.760 RESID 212 (E): H 8.399 8.399 8.437 -0.038 RESID 213 (D): N 122.797 122.797 116.635 6.162 RESID 213 (D): C 177.152 177.152 177.241 -0.089 RESID 213 (D): CA 61.914 61.914 53.328 8.586 RESID 213 (D): CB 49.607 49.607 41.223 8.384 RESID 213 (D): H 8.168 8.168 8.469 -0.301 RESID 214 (D): N 112.369 112.369 121.692 -9.323 RESID 214 (D): C 178.910 178.910 177.163 1.747 RESID 214 (D): CA 54.579 54.579 56.879 -2.300 RESID 214 (D): CB 39.353 39.353 40.259 -0.906 RESID 214 (D): H 7.464 7.464 8.142 -0.677 RESID 215 (D): N 127.244 127.244 118.800 8.444 RESID 215 (D): C 176.859 176.859 177.194 -0.335 RESID 215 (D): CA 54.579 54.579 55.868 -1.289 RESID 215 (D): CB 40.524 40.524 40.801 -0.277 RESID 215 (D): H 8.301 8.301 8.317 -0.016 N HA C CA CB H RESID 3 (A): 3.782 ----- -2.656 -4.648 0.063 0.232 RESID 4 (Q): 1.550 ----- -0.983 -2.612 -1.829 0.579 RESID 5 (G): 14.565 ----- 8.189 0.865 ----- 0.151 RESID 6 (E): 6.942 ----- 1.069 3.199 -1.627 1.324 RESID 7 (P): ----- ----- -0.420 -1.281 -1.031 ----- RESID 8 (Q): -2.719 ----- 2.541 -5.635 -2.687 -1.887 RESID 9 (V): 2.213 ----- 4.812 3.731 -0.090 -1.059 RESID 10 (Q): -9.080 ----- 2.010 1.126 -3.970 -0.056 RESID 11 (F): -5.286 ----- 1.873 3.466 -1.300 -0.625 RESID 12 (K): 4.019 ----- 3.762 2.093 ----- 1.236 RESID 13 (L): -17.513 ----- 3.119 1.129 -3.075 -1.986 RESID 14 (V): 0.511 ----- 1.191 9.292 -4.509 -0.518 RESID 15 (L): -2.526 ----- 2.571 2.471 ----- -1.316 RESID 16 (V): -0.369 ----- 3.881 4.844 0.585 0.027 RESID 17 (G): 21.046 ----- 1.353 -2.314 ----- 2.871 RESID 18 (D): 3.967 ----- -0.873 2.960 4.166 -0.154 RESID 19 (G): 14.247 ----- 3.542 -3.175 ----- 0.089 RESID 20 (G): 16.325 ----- -1.553 -3.681 ----- 0.732 RESID 21 (T): 5.531 ----- -3.589 -4.292 -4.197 0.520 RESID 22 (G): 6.576 ----- 9.635 0.082 ----- -1.597 RESID 23 (K): 1.170 ----- 0.658 -1.923 8.004 -1.161 RESID 24 (T): -0.120 ----- 1.826 -5.245 3.816 0.068 RESID 25 (T): -8.655 ----- 2.312 -3.163 3.106 0.195 RESID 26 (F): -8.187 ----- -2.407 -8.434 1.409 -0.712 RESID 27 (V): 3.564 ----- 0.160 0.459 -2.109 -1.290 RESID 28 (K): -5.536 ----- -1.996 -1.845 2.161 -0.794 RESID 29 (R): -7.755 ----- -4.281 13.173 7.856 -1.174 RESID 30 (H): 5.579 ----- -5.095 -7.534 0.699 0.075 RESID 31 (L): -9.272 ----- -0.745 -2.537 0.101 -0.370 RESID 32 (T): 15.434 ----- -4.814 1.848 4.988 0.150 RESID 33 (G): 17.797 ----- -12.113 -1.937 ----- 2.029 RESID 34 (E): 0.484 ----- -0.567 2.103 3.754 0.848 RESID 35 (F): -8.087 ----- -0.941 -7.740 1.009 -1.577 RESID 36 (E): -5.329 ----- -0.376 3.867 17.233 -0.421 RESID 37 (K): -8.072 ----- -4.909 -9.886 4.011 -0.527 RESID 38 (K): -11.731 ----- 0.642 3.765 1.483 -0.222 RESID 39 (Y): -14.124 ----- 1.038 3.200 -2.803 -1.007 RESID 40 (V): -10.731 ----- 1.453 0.907 -3.884 0.506 RESID 42 (T): -2.397 ----- 4.870 -2.314 0.576 -0.255 RESID 43 (L): -7.884 ----- -2.515 2.917 0.027 0.717 RESID 44 (G): 0.771 ----- 6.084 8.709 ----- -1.678 RESID 45 (V): -12.610 ----- -0.258 2.498 -17.467 0.311 RESID 46 (E): 2.971 ----- 2.274 0.220 0.099 0.845 RESID 47 (V): 0.193 ----- 1.050 1.845 5.194 -0.264 RESID 48 (H): 2.301 ----- -3.528 -3.407 -5.029 1.149 RESID 49 (P): ----- ----- 0.476 0.036 -2.130 ----- RESID 50 (L): -8.088 ----- 1.992 5.241 -2.600 -1.500 RESID 51 (V): -4.993 ----- -0.568 3.203 3.867 -0.469 RESID 52 (F): -1.729 ----- 0.828 -0.386 -2.434 -0.260 RESID 53 (H): -2.184 ----- -4.806 -0.133 -0.523 -0.846 RESID 54 (T): -3.558 ----- 2.624 3.921 1.190 -0.793 RESID 55 (N): 10.919 ----- -0.297 -4.798 -1.330 1.585 RESID 56 (R): 3.168 ----- -1.011 5.737 2.387 -0.429 RESID 57 (G): 20.266 ----- 3.924 -1.910 ----- 1.757 RESID 58 (P): ----- ----- 1.288 1.849 -3.058 ----- RESID 59 (I): 6.233 ----- 1.724 4.984 -2.139 -0.126 RESID 60 (K): 2.132 ----- 4.083 19.878 -3.987 -0.634 RESID 61 (F): -4.963 ----- 0.244 0.894 -0.116 -2.081 RESID 62 (N): 0.480 ----- -1.500 0.558 2.695 -0.783 RESID 63 (V): -19.293 ----- -0.442 -1.857 -1.638 -0.886 RESID 64 (W): -0.479 ----- 1.726 4.862 -0.141 -0.582 RESID 65 (D): -6.552 ----- -1.474 1.702 -2.268 -0.586 RESID 66 (T): 4.792 ----- 4.451 8.146 0.334 -0.081 RESID 67 (A): -18.414 ----- 0.351 -3.031 -5.780 0.774 RESID 68 (G): 5.220 ----- 13.407 -0.933 ----- 1.926 RESID 69 (Q): 2.770 ----- -1.961 0.650 2.787 -0.220 RESID 70 (E): -5.343 ----- 0.500 1.145 -1.514 1.315 RESID 71 (K): -5.929 ----- -0.671 -7.343 3.998 0.461 RESID 72 (F): -5.398 ----- -1.292 -2.472 -2.407 -0.177 RESID 73 (G): 5.921 ----- -6.407 -2.611 ----- -0.258 RESID 74 (G): 12.187 ----- -1.897 -2.455 ----- 0.653 RESID 75 (L): 5.612 ----- 0.419 -3.696 0.591 -0.137 RESID 76 (R): 0.868 ----- -0.083 4.442 1.834 -0.337 RESID 77 (D): 8.869 ----- -0.718 -4.731 1.381 1.419 RESID 78 (G): 19.980 ----- -2.583 -2.490 ----- -0.210 RESID 79 (Y): 1.450 ----- -1.219 -0.126 2.489 1.029 RESID 80 (Y): 4.070 ----- 0.176 3.000 2.468 0.638 RESID 81 (I): -0.420 ----- 1.525 4.058 2.967 0.907 RESID 82 (Q): 1.838 ----- -1.107 3.482 4.524 -0.793 RESID 83 (A): -10.984 ----- -1.130 1.977 -2.721 -1.067 RESID 84 (Q): 0.475 ----- 1.089 3.812 4.052 -0.499 RESID 85 (C): 8.722 ----- 3.884 9.361 7.900 0.512 RESID 86 (A): -7.676 ----- ----- 6.830 -1.144 -1.881 RESID 87 (I): -0.176 ----- -0.737 1.039 -1.376 -0.329 RESID 88 (I): -6.780 ----- -0.712 4.374 -2.499 -3.512 RESID 89 (M): -7.060 ----- 4.101 5.211 -0.990 -0.378 RESID 90 (F): 0.410 ----- 2.290 5.000 -3.615 0.477 RESID 91 (D): -1.167 ----- -0.410 8.088 1.206 -1.285 RESID 92 (V): -8.619 ----- -3.372 -0.555 6.219 -0.781 RESID 93 (T): 16.727 ----- 4.068 0.846 5.085 -0.555 RESID 94 (S): 5.139 ----- -10.592 4.030 -2.095 -0.252 RESID 95 (R): -16.799 ----- -1.505 -5.459 1.499 -1.078 RESID 96 (V): 6.179 ----- 0.128 2.079 -7.278 1.095 RESID 97 (T): -4.497 ----- 1.804 -2.532 1.400 0.315 RESID 98 (Y): -8.117 ----- -1.403 ----- ----- -0.229 RESID 99 (K): 4.864 ----- -0.168 -0.747 4.056 0.336 RESID 100 (N): -4.259 ----- -0.799 -1.638 -1.036 -2.103 RESID 101 (V): -2.758 ----- -1.376 -5.662 -2.182 -0.144 RESID 102 (P): ----- ----- -1.024 -3.070 -0.186 ----- RESID 103 (N): 7.151 ----- -1.850 -0.508 1.712 0.593 RESID 104 (W): 2.930 ----- -2.713 -1.306 5.232 -0.023 RESID 105 (H): 3.144 ----- 4.036 ----- ----- -1.476 RESID 106 (R): 5.000 ----- -0.439 5.408 -2.206 -0.356 RESID 107 (D): -3.207 ----- -2.110 -2.419 0.947 1.220 RESID 108 (L): -6.842 ----- -1.997 1.181 7.428 -1.207 RESID 109 (V): 2.683 ----- -3.292 -2.309 1.776 1.009 RESID 110 (R): -6.228 ----- -2.085 -1.865 0.363 -0.515 RESID 111 (V): -2.335 ----- 0.151 -6.026 0.290 -0.081 RESID 112 (C): -1.023 ----- -4.746 -1.463 7.093 -0.949 RESID 113 (E): -3.017 ----- 0.970 10.881 1.887 -0.904 RESID 114 (N): 7.338 ----- 0.118 -0.577 1.842 0.548 RESID 115 (I): -10.425 ----- 1.860 7.652 -0.847 1.410 RESID 116 (P): ----- ----- 0.374 -0.198 -2.520 ----- RESID 117 (I): -1.052 ----- -0.169 5.962 -3.372 -0.753 RESID 118 (V): -6.916 ----- 3.615 2.066 -2.942 -0.001 RESID 119 (L): -7.290 ----- 2.011 -10.926 -5.035 -1.470 RESID 120 (C): -9.190 ----- 3.812 ----- ----- -0.827 RESID 121 (G): 3.916 ----- 4.066 -2.511 ----- -1.410 RESID 122 (N): 1.678 ----- -0.082 0.571 -1.571 0.572 RESID 123 (K): 7.913 ----- -4.077 0.622 5.831 -0.592 RESID 124 (V): 10.881 ----- -0.587 0.311 11.152 0.965 RESID 125 (D): 0.003 ----- -0.447 -0.468 -0.165 -0.287 RESID 126 (I): -4.771 ----- 0.721 4.468 1.057 0.080 RESID 127 (K): -3.862 ----- -1.405 -0.334 3.228 -0.222 RESID 128 (D): -1.883 ----- 1.906 0.347 0.721 -0.965 RESID 129 (R): -4.470 ----- 1.394 -10.308 0.019 0.533 RESID 130 (K): -16.111 ----- -0.076 -2.445 2.848 -1.108 RESID 131 (V): -11.679 ----- 4.262 4.074 4.382 1.070 RESID 132 (K): -17.893 ----- -0.889 3.798 1.607 1.478 RESID 133 (A): 6.105 ----- ----- -3.737 -5.385 -2.486 RESID 134 (K): -0.153 ----- -1.092 -2.940 22.184 -1.623 RESID 135 (S): -4.879 ----- -1.343 -3.303 0.877 0.120 RESID 136 (I): 1.856 ----- -0.293 5.743 5.436 0.707 RESID 137 (V): -13.158 ----- 0.853 3.055 -0.067 -0.716 RESID 138 (F): -4.310 ----- -0.693 -4.053 0.278 0.594 RESID 139 (H): 4.520 ----- -1.071 8.395 6.927 -0.844 RESID 140 (R): -0.043 ----- -1.193 -0.827 9.962 1.208 RESID 141 (K): -4.679 ----- -4.530 -0.669 1.188 -0.110 RESID 142 (K): -1.871 ----- 0.093 -3.813 2.421 1.226 RESID 143 (N): -2.750 ----- 0.892 -0.529 3.450 -0.276 RESID 144 (L): 1.849 ----- ----- 0.640 -1.402 -0.244 RESID 145 (Q): 1.762 ----- 2.626 1.706 -0.798 -0.969 RESID 146 (Y): -5.427 ----- 0.419 6.656 0.659 1.136 RESID 147 (Y): -2.078 ----- 3.957 1.861 -2.017 -0.328 RESID 148 (D): -2.394 ----- 1.625 0.205 -0.633 0.584 RESID 149 (I): 0.858 ----- 0.467 1.927 -3.254 0.050 RESID 150 (S): 0.405 ----- 1.241 5.019 -3.234 -0.038 RESID 151 (A): 0.001 ----- -18.493 -0.938 3.632 1.652 RESID 152 (K): 2.754 ----- -3.720 1.402 2.041 0.834 RESID 153 (S): 24.296 ----- 2.289 3.891 2.115 1.143 RESID 154 (N): 2.986 ----- 1.924 -4.658 2.617 -0.670 RESID 155 (Y): -3.215 ----- 1.858 1.268 2.935 0.421 RESID 156 (N): 1.448 ----- -0.013 -1.199 2.419 -0.794 RESID 157 (F): 6.436 ----- -1.906 -3.240 0.776 -0.490 RESID 158 (E): -4.423 ----- -1.222 15.311 -0.867 -0.480 RESID 159 (K): -6.502 ----- 0.722 -7.462 3.417 -0.425 RESID 160 (P): ----- ----- -2.253 -1.220 1.254 ----- RESID 161 (F): 6.738 ----- -0.700 -1.522 3.250 0.999 RESID 162 (L): -8.860 ----- -2.401 -2.141 2.568 -0.379 RESID 163 (W): 2.057 ----- -0.815 -0.587 -0.695 -0.791 RESID 164 (L): 0.657 ----- -3.191 3.181 4.457 1.333 RESID 165 (A): -3.349 ----- -13.813 -2.971 3.608 -0.580 RESID 166 (R): 4.552 ----- -2.816 -9.878 -0.708 0.537 RESID 167 (K): -7.474 ----- -2.863 -0.254 3.326 -0.576 RESID 168 (L): -4.522 ----- -1.213 -0.583 0.086 -0.422 RESID 169 (I): 5.057 ----- 0.354 0.268 3.708 0.300 RESID 170 (G): 6.360 ----- -11.425 -0.770 ----- -1.305 RESID 171 (D): -8.443 ----- 3.329 -0.035 -0.761 -0.876 RESID 172 (P): ----- ----- -0.464 -0.195 -0.541 ----- RESID 173 (N): -6.653 ----- 1.268 1.646 -2.357 -0.417 RESID 174 (L): -13.942 ----- 0.863 0.341 1.323 0.652 RESID 175 (E): -0.147 ----- 2.538 22.201 -5.089 0.952 RESID 176 (F): 13.881 ----- 2.788 0.965 4.381 1.443 RESID 177 (V): -5.210 ----- 3.337 3.728 0.606 -0.186 RESID 178 (A): -2.111 ----- -0.038 -0.720 -3.965 -0.544 RESID 179 (M): 4.567 ----- 3.695 7.644 5.937 -0.038 RESID 180 (P): ----- ----- 2.141 2.556 -3.259 ----- RESID 181 (A): 4.446 ----- -0.694 6.346 1.716 0.479 RESID 182 (L): 1.060 ----- 0.696 0.932 -1.407 0.343 RESID 183 (A): -4.780 ----- 2.841 7.672 5.486 0.109 RESID 184 (P): ----- ----- 2.058 2.313 -1.748 ----- RESID 185 (P): ----- ----- -1.432 0.961 2.857 ----- RESID 186 (E): 0.829 ----- 0.357 0.523 6.104 -0.387 RESID 187 (V): 7.123 ----- 3.824 0.643 2.914 0.696 RESID 188 (V): 8.626 ----- 1.989 7.707 -2.734 0.666 RESID 189 (M): 4.744 ----- 1.306 -2.306 4.619 -1.682 RESID 190 (D): -3.078 ----- -0.070 -3.398 2.233 -1.411 RESID 191 (P): ----- ----- -0.973 -0.674 -0.697 ----- RESID 192 (A): -11.603 ----- ----- 0.570 0.882 -0.967 RESID 193 (L): 0.780 ----- -0.569 0.715 0.928 0.485 RESID 194 (A): 3.466 ----- -10.781 3.195 -2.755 0.905 RESID 195 (A): -0.039 ----- -4.897 3.177 2.526 -0.513 RESID 196 (Q): -11.607 ----- -1.816 -2.048 1.177 0.274 RESID 197 (Y): 1.112 ----- -0.396 -3.182 5.911 0.299 RESID 198 (E): -8.692 ----- -2.166 -6.324 1.293 -0.905 RESID 199 (H): -0.601 ----- 1.490 -1.255 5.119 -0.077 RESID 200 (D): 4.780 ----- -2.092 1.271 -0.892 0.037 RESID 201 (L): -4.028 ----- -0.349 3.432 -0.728 -0.173 RESID 202 (E): -0.819 ----- -2.778 -2.302 1.343 0.581 RESID 203 (V): 9.136 ----- 0.737 -1.952 -3.360 1.231 RESID 204 (A): -12.347 ----- -2.038 -0.339 -0.125 0.768 RESID 205 (Q): 6.832 ----- -0.261 -0.548 4.580 0.319 RESID 206 (T): 6.380 ----- 0.902 2.764 1.292 -0.378 RESID 207 (T): -6.998 ----- 2.548 0.883 3.215 -0.122 RESID 208 (A): -14.199 ----- -7.889 2.859 2.706 -0.820 RESID 209 (L): -6.080 ----- 0.860 5.717 3.614 -0.753 RESID 210 (P): ----- ----- 0.827 0.842 -1.530 ----- RESID 211 (D): 2.912 ----- 0.075 2.410 0.754 0.059 RESID 212 (E): 5.837 ----- -0.167 -1.992 -0.760 -0.038 RESID 213 (D): 6.162 ----- -0.089 8.586 8.384 -0.301 RESID 214 (D): -9.323 ----- 1.747 -2.300 -0.906 -0.677 RESID 215 (D): 8.444 ----- -0.335 -1.289 -0.277 -0.016 DATA CS_STAT_INFO N RMS: 7.730 ppm Count: 201 Average Difference: 0.501 +/- 7.733 ppm DATA CS_STAT_INFO HA RMS: 0.483 ppm Count: 28 Average Difference: -0.340 +/- 0.349 ppm DATA CS_STAT_INFO C RMS: 3.471 ppm Count: 209 Average Difference: 0.110 +/- 3.478 ppm DATA CS_STAT_INFO CA RMS: 4.622 ppm Count: 210 Average Difference: -0.694 +/- 4.581 ppm DATA CS_STAT_INFO CB RMS: 4.066 ppm Count: 194 Average Difference: -0.977 +/- 3.957 ppm DATA CS_STAT_INFO HN RMS: 0.944 ppm Count: 201 Average Difference: 0.107 +/- 0.940 ppm ############################################################################ For conformer 10: Atom Original Corrected SPARTA Difference RESID 2 (A): N 131.228 131.228 123.344 7.884 RESID 2 (A): C 187.031 187.031 179.644 7.387 RESID 2 (A): CA 53.407 53.407 55.208 -1.801 RESID 2 (A): CB 20.027 20.027 18.023 2.004 RESID 2 (A): H 10.644 10.644 8.403 2.241 RESID 3 (A): N 124.521 124.521 121.524 2.997 RESID 3 (A): C 176.566 176.566 178.723 -2.157 RESID 3 (A): CA 49.894 49.894 54.573 -4.679 RESID 3 (A): CB 18.270 18.270 17.976 0.294 RESID 3 (A): H 8.669 8.669 8.405 0.264 RESID 4 (Q): N 118.080 118.080 116.939 1.141 RESID 4 (Q): C 176.273 176.273 176.828 -0.555 RESID 4 (Q): CA 54.579 54.579 56.771 -2.192 RESID 4 (Q): CB 27.054 27.054 29.103 -2.049 RESID 4 (Q): H 8.919 8.919 8.221 0.698 RESID 5 (G): N 121.002 121.002 106.197 14.805 RESID 5 (G): C 181.877 181.877 173.765 8.112 RESID 5 (G): CA 45.794 45.794 44.935 0.859 RESID 5 (G): H 8.082 8.082 7.962 0.120 RESID 6 (E): N 129.435 129.435 122.478 6.957 RESID 6 (E): C 176.566 176.566 175.542 1.024 RESID 6 (E): CA 56.336 56.336 53.160 3.176 RESID 6 (E): CB 28.811 28.811 30.448 -1.637 RESID 6 (E): H 9.267 9.267 7.956 1.311 RESID 7 (P): C 176.566 176.566 177.053 -0.487 RESID 7 (P): CA 63.672 63.672 64.913 -1.241 RESID 7 (P): CB 31.146 31.146 32.331 -1.185 RESID 8 (Q): N 112.502 112.502 114.266 -1.764 RESID 8 (Q): C 177.445 177.445 175.319 2.126 RESID 8 (Q): CA 50.479 50.479 56.103 -5.624 RESID 8 (Q): CB 28.811 28.811 31.529 -2.718 RESID 8 (Q): H 6.220 6.220 8.188 -1.968 RESID 9 (V): N 117.416 117.416 118.298 -0.882 RESID 9 (V): C 178.324 178.324 173.663 4.661 RESID 9 (V): CA 63.363 63.363 60.763 2.600 RESID 9 (V): CB 34.668 34.668 35.176 -0.508 RESID 9 (V): H 6.561 6.561 7.715 -1.154 RESID 10 (Q): N 113.896 113.896 123.243 -9.347 RESID 10 (Q): C 176.273 176.273 174.520 1.753 RESID 10 (Q): CA 55.164 55.164 53.927 1.237 RESID 10 (Q): CB 28.226 28.226 32.166 -3.940 RESID 10 (Q): H 7.847 7.847 8.078 -0.231 RESID 11 (F): N 118.744 118.744 124.835 -6.091 RESID 11 (F): C 176.566 176.566 174.772 1.794 RESID 11 (F): CA 59.849 59.849 56.428 3.421 RESID 11 (F): CB 41.109 41.109 42.243 -1.134 RESID 11 (F): H 8.262 8.262 8.956 -0.694 RESID 12 (K): N 129.437 129.437 125.302 4.135 RESID 12 (K): C 178.609 178.609 174.820 3.789 RESID 12 (K): CA 57.808 57.808 55.515 2.293 RESID 12 (K): H 10.015 10.015 8.729 1.286 RESID 13 (L): N 112.103 112.103 129.373 -17.270 RESID 13 (L): C 177.738 177.738 174.596 3.142 RESID 13 (L): CA 54.579 54.579 53.412 1.167 RESID 13 (L): CB 42.866 42.866 45.910 -3.044 RESID 13 (L): H 6.905 6.905 8.904 -1.999 RESID 14 (V): N 127.310 127.310 126.768 0.542 RESID 14 (V): C 175.393 175.393 174.146 1.247 RESID 14 (V): CA 70.976 70.976 61.677 9.299 RESID 14 (V): CB 28.811 28.811 33.382 -4.571 RESID 14 (V): H 8.305 8.305 8.837 -0.532 RESID 15 (L): N 128.640 128.640 131.038 -2.398 RESID 15 (L): C 177.730 177.730 175.116 2.614 RESID 15 (L): CA 55.758 55.758 53.191 2.567 RESID 15 (L): H 7.718 7.718 9.054 -1.336 RESID 16 (V): N 121.267 121.267 121.619 -0.352 RESID 16 (V): C 178.324 178.324 174.318 4.006 RESID 16 (V): CA 63.363 63.363 58.607 4.756 RESID 16 (V): CB 35.839 35.839 35.099 0.740 RESID 16 (V): H 8.935 8.935 8.824 0.111 RESID 17 (G): N 127.908 127.908 106.812 21.096 RESID 17 (G): C 174.514 174.514 173.152 1.362 RESID 17 (G): CA 42.281 42.281 44.727 -2.446 RESID 17 (G): H 9.682 9.682 6.879 2.803 RESID 18 (D): N 125.054 125.054 121.079 3.975 RESID 18 (D): C 176.851 176.851 177.690 -0.839 RESID 18 (D): CA 57.515 57.515 54.335 3.180 RESID 18 (D): CB 46.090 46.090 41.997 4.093 RESID 18 (D): H 8.282 8.282 8.427 -0.145 RESID 19 (G): N 120.670 120.670 105.941 14.729 RESID 19 (G): C 178.324 178.324 174.590 3.734 RESID 19 (G): CA 42.281 42.281 45.331 -3.050 RESID 19 (G): H 8.825 8.825 8.736 0.089 RESID 20 (G): N 129.369 129.369 113.354 16.015 RESID 20 (G): C 174.221 174.221 175.920 -1.699 RESID 20 (G): CA 41.695 41.695 45.357 -3.662 RESID 20 (G): H 8.477 8.477 7.889 0.588 RESID 21 (T): N 122.199 122.199 116.848 5.351 RESID 21 (T): C 171.291 171.291 175.009 -3.718 RESID 21 (T): CA 61.914 61.914 66.328 -4.414 RESID 21 (T): CB 65.137 65.137 69.324 -4.187 RESID 21 (T): H 8.059 8.059 7.519 0.540 RESID 22 (G): N 112.369 112.369 106.144 6.225 RESID 22 (G): C 184.807 184.807 175.225 9.582 RESID 22 (G): CA 45.209 45.209 45.292 -0.083 RESID 22 (G): H 6.772 6.772 8.415 -1.643 RESID 23 (K): N 122.066 122.066 120.364 1.702 RESID 23 (K): C 178.589 178.589 177.976 0.613 RESID 23 (K): CA 58.101 58.101 59.061 -0.960 RESID 23 (K): CB 40.230 40.230 31.914 8.316 RESID 23 (K): H 7.441 7.441 8.381 -0.940 RESID 24 (T): N 114.627 114.627 115.098 -0.471 RESID 24 (T): C 178.324 178.324 176.705 1.619 RESID 24 (T): CA 62.192 62.192 67.156 -4.964 RESID 24 (T): CB 71.562 71.562 68.185 3.377 RESID 24 (T): H 8.469 8.469 8.513 -0.044 RESID 25 (T): N 110.377 110.377 119.338 -8.961 RESID 25 (T): C 178.324 178.324 176.204 2.120 RESID 25 (T): CA 64.534 64.534 67.576 -3.042 RESID 25 (T): CB 71.562 71.562 68.525 3.037 RESID 25 (T): H 8.415 8.415 8.236 0.179 RESID 26 (F): N 114.295 114.295 123.181 -8.886 RESID 26 (F): C 174.514 174.514 177.189 -2.675 RESID 26 (F): CA 53.407 53.407 62.170 -8.763 RESID 26 (F): CB 40.524 40.524 38.944 1.580 RESID 26 (F): H 7.707 7.707 8.575 -0.868 RESID 27 (V): N 123.525 123.525 120.978 2.547 RESID 27 (V): C 178.031 178.031 177.872 0.159 RESID 27 (V): CA 67.462 67.462 66.802 0.660 RESID 27 (V): CB 29.397 29.397 31.572 -2.175 RESID 27 (V): H 6.967 6.967 8.363 -1.395 RESID 28 (K): N 114.228 114.228 119.784 -5.556 RESID 28 (K): C 176.566 176.566 178.642 -2.076 RESID 28 (K): CA 58.092 58.092 59.992 -1.900 RESID 28 (K): CB 34.082 34.082 31.997 2.084 RESID 28 (K): H 7.429 7.429 8.227 -0.798 RESID 29 (R): N 112.037 112.037 120.019 -7.982 RESID 29 (R): C 174.221 174.221 179.320 -5.099 RESID 29 (R): CA 72.147 72.147 59.210 12.937 RESID 29 (R): CB 37.596 37.596 30.003 7.593 RESID 29 (R): H 6.803 6.803 8.236 -1.433 RESID 30 (H): N 122.396 122.396 117.861 4.535 RESID 30 (H): C 172.170 172.170 176.970 -4.800 RESID 30 (H): CA 51.651 51.651 59.652 -8.001 RESID 30 (H): CB 30.568 30.568 29.535 1.033 RESID 30 (H): H 7.644 7.644 7.870 -0.226 RESID 31 (L): N 110.377 110.377 117.915 -7.538 RESID 31 (L): C 178.031 178.031 178.525 -0.494 RESID 31 (L): CA 55.164 55.164 57.287 -2.123 RESID 31 (L): CB 42.281 42.281 42.257 0.024 RESID 31 (L): H 7.894 7.894 8.155 -0.261 RESID 32 (T): N 121.468 121.468 106.158 15.310 RESID 32 (T): C 170.705 170.705 175.569 -4.864 RESID 32 (T): CA 63.668 63.668 61.860 1.808 RESID 32 (T): CB 75.679 75.679 70.731 4.948 RESID 32 (T): H 8.372 8.372 8.285 0.087 RESID 33 (G): N 127.841 127.841 110.152 17.689 RESID 33 (G): C 161.914 161.914 173.990 -12.076 RESID 33 (G): CA 42.866 42.866 44.795 -1.929 RESID 33 (G): H 9.662 9.662 7.720 1.942 RESID 34 (E): N 120.871 120.871 120.294 0.577 RESID 34 (E): C 174.508 174.508 175.032 -0.524 RESID 34 (E): CA 58.101 58.101 55.682 2.419 RESID 34 (E): CB 34.371 34.371 30.757 3.614 RESID 34 (E): H 8.211 8.211 7.498 0.713 RESID 35 (F): N 111.838 111.838 119.240 -7.402 RESID 35 (F): C 174.221 174.221 175.250 -1.029 RESID 35 (F): CA 49.308 49.308 56.930 -7.622 RESID 35 (F): CB 41.695 41.695 40.797 0.898 RESID 35 (F): H 6.772 6.772 8.252 -1.480 RESID 36 (E): N 120.672 120.672 125.554 -4.882 RESID 36 (E): C 175.686 175.686 176.140 -0.454 RESID 36 (E): CA 58.980 58.980 55.064 3.916 RESID 36 (E): CB 48.140 48.140 30.743 17.397 RESID 36 (E): H 8.293 8.293 8.774 -0.481 RESID 37 (K): N 118.810 118.810 127.032 -8.222 RESID 37 (K): C 172.756 172.756 177.609 -4.853 RESID 37 (K): CA 48.137 48.137 57.992 -9.855 RESID 37 (K): CB 37.010 37.010 33.083 3.927 RESID 37 (K): H 8.509 8.509 8.553 -0.044 RESID 38 (K): N 108.052 108.052 119.752 -11.700 RESID 38 (K): C 176.273 176.273 175.727 0.546 RESID 38 (K): CA 59.849 59.849 56.346 3.503 RESID 38 (K): CB 34.668 34.668 33.020 1.648 RESID 38 (K): H 7.715 7.715 7.953 -0.238 RESID 39 (Y): N 108.650 108.650 124.971 -16.321 RESID 39 (Y): C 175.686 175.686 174.992 0.694 RESID 39 (Y): CA 61.020 61.020 57.892 3.128 RESID 39 (Y): CB 36.424 36.424 39.102 -2.678 RESID 39 (Y): H 7.362 7.362 8.474 -1.112 RESID 40 (V): N 117.947 117.947 128.836 -10.889 RESID 40 (V): C 175.393 175.393 174.077 1.316 RESID 40 (V): CA 61.020 61.020 60.225 0.795 RESID 40 (V): CB 31.154 31.154 35.097 -3.943 RESID 40 (V): H 8.442 8.442 7.946 0.496 RESID 42 (T): N 117.150 117.150 119.577 -2.427 RESID 42 (T): C 178.910 178.910 173.789 5.121 RESID 42 (T): CA 60.435 60.435 62.546 -2.111 RESID 42 (T): CB 70.390 70.390 69.564 0.826 RESID 42 (T): H 8.192 8.192 8.449 -0.257 RESID 43 (L): N 119.209 119.209 127.461 -8.252 RESID 43 (L): C 174.807 174.807 177.517 -2.710 RESID 43 (L): CA 57.507 57.507 54.692 2.815 RESID 43 (L): CB 42.866 42.866 42.930 -0.064 RESID 43 (L): H 9.260 9.260 8.538 0.722 RESID 44 (G): N 114.361 114.361 113.610 0.751 RESID 44 (G): C 178.910 178.910 172.877 6.033 RESID 44 (G): CA 54.579 54.579 45.884 8.695 RESID 44 (G): H 6.979 6.979 8.649 -1.670 RESID 45 (V): N 110.244 110.244 122.835 -12.591 RESID 45 (V): C 174.807 174.807 175.101 -0.294 RESID 45 (V): CA 63.363 63.363 60.802 2.561 RESID 45 (V): CB 17.099 17.099 34.322 -17.223 RESID 45 (V): H 8.309 8.309 7.943 0.366 RESID 46 (E): N 130.365 130.365 127.785 2.580 RESID 46 (E): C 176.859 176.859 174.615 2.244 RESID 46 (E): CA 55.164 55.164 54.729 0.435 RESID 46 (E): CB 32.325 32.325 32.244 0.081 RESID 46 (E): H 9.741 9.741 8.883 0.858 RESID 47 (V): N 125.254 125.254 124.953 0.301 RESID 47 (V): C 175.661 175.661 175.699 -0.038 RESID 47 (V): CA 63.375 63.375 61.801 1.574 RESID 47 (V): CB 37.300 37.300 32.363 4.937 RESID 47 (V): H 8.250 8.250 8.310 -0.060 RESID 48 (H): N 129.236 129.236 127.248 1.988 RESID 48 (H): C 169.240 169.240 173.020 -3.780 RESID 48 (H): CA 49.894 49.894 53.435 -3.541 RESID 48 (H): CB 27.640 27.640 32.187 -4.547 RESID 48 (H): H 10.390 10.390 9.301 1.089 RESID 49 (P): C 176.273 176.273 175.968 0.305 RESID 49 (P): CA 62.500 62.500 62.837 -0.337 RESID 49 (P): CB 29.974 29.974 32.378 -2.404 RESID 50 (L): N 119.408 119.408 127.417 -8.009 RESID 50 (L): C 177.445 177.445 175.463 1.982 RESID 50 (L): CA 59.264 59.264 54.130 5.134 RESID 50 (L): CB 42.281 42.281 45.314 -3.033 RESID 50 (L): H 7.492 7.492 9.163 -1.671 RESID 51 (V): N 117.947 117.947 122.435 -4.488 RESID 51 (V): C 174.514 174.514 175.081 -0.567 RESID 51 (V): CA 64.534 64.534 61.467 3.067 RESID 51 (V): CB 37.010 37.010 33.132 3.878 RESID 51 (V): H 7.715 7.715 8.188 -0.473 RESID 52 (F): N 124.853 124.853 126.420 -1.567 RESID 52 (F): C 175.100 175.100 174.282 0.818 RESID 52 (F): CA 56.336 56.336 56.679 -0.344 RESID 52 (F): CB 39.938 39.938 42.346 -2.409 RESID 52 (F): H 8.935 8.935 9.269 -0.334 RESID 53 (H): N 120.603 120.603 122.980 -2.377 RESID 53 (H): C 170.119 170.119 175.062 -4.943 RESID 53 (H): CA 55.164 55.164 55.261 -0.097 RESID 53 (H): CB 30.568 30.568 30.718 -0.150 RESID 53 (H): H 8.356 8.356 9.057 -0.701 RESID 54 (T): N 112.634 112.634 116.034 -3.400 RESID 54 (T): C 178.910 178.910 176.269 2.641 RESID 54 (T): CA 63.363 63.363 59.362 4.001 RESID 54 (T): CB 72.733 72.733 71.700 1.033 RESID 54 (T): H 7.574 7.574 8.371 -0.797 RESID 55 (N): N 131.095 131.095 120.458 10.637 RESID 55 (N): C 176.273 176.273 176.363 -0.090 RESID 55 (N): CA 51.065 51.065 55.806 -4.741 RESID 55 (N): CB 37.010 37.010 38.273 -1.263 RESID 55 (N): H 10.187 10.187 8.616 1.571 RESID 56 (R): N 122.064 122.064 118.763 3.301 RESID 56 (R): C 175.100 175.100 176.142 -1.042 RESID 56 (R): CA 61.606 61.606 55.217 6.389 RESID 56 (R): CB 32.911 32.911 29.811 3.099 RESID 56 (R): H 7.433 7.433 7.787 -0.354 RESID 57 (G): N 127.709 127.709 107.921 19.788 RESID 57 (G): C 175.979 175.979 171.975 4.004 RESID 57 (G): CA 42.281 42.281 44.299 -2.018 RESID 57 (G): H 9.373 9.373 7.653 1.720 RESID 58 (P): C 177.152 177.152 175.788 1.364 RESID 58 (P): CA 65.137 65.137 62.974 2.163 RESID 58 (P): CB 29.095 29.095 32.087 -2.992 RESID 59 (I): N 128.638 128.638 122.335 6.303 RESID 59 (I): C 175.979 175.979 174.320 1.659 RESID 59 (I): CA 65.120 65.120 58.994 6.126 RESID 59 (I): CB 40.524 40.524 42.005 -1.481 RESID 59 (I): H 8.794 8.794 9.017 -0.223 RESID 60 (K): N 127.711 127.711 125.362 2.349 RESID 60 (K): C 178.902 178.902 174.866 4.036 RESID 60 (K): CA 74.293 74.293 54.290 20.003 RESID 60 (K): CB 32.027 32.027 35.883 -3.856 RESID 60 (K): H 8.024 8.024 8.643 -0.619 RESID 61 (F): N 120.670 120.670 125.608 -4.938 RESID 61 (F): C 175.393 175.393 175.032 0.361 RESID 61 (F): CA 57.507 57.507 56.944 0.563 RESID 61 (F): CB 41.109 41.109 40.984 0.125 RESID 61 (F): H 7.515 7.515 9.608 -2.093 RESID 62 (N): N 124.789 124.789 123.966 0.823 RESID 62 (N): C 173.336 173.336 174.256 -0.920 RESID 62 (N): CA 53.121 53.121 52.244 0.877 RESID 62 (N): CB 41.695 41.695 39.468 2.227 RESID 62 (N): H 8.325 8.325 9.130 -0.805 RESID 63 (V): N 106.127 106.127 127.946 -21.819 RESID 63 (V): C 175.100 175.100 175.395 -0.295 RESID 63 (V): CA 61.020 61.020 62.595 -1.575 RESID 63 (V): CB 31.154 31.154 32.894 -1.740 RESID 63 (V): H 8.113 8.113 9.112 -0.999 RESID 64 (W): N 129.302 129.302 129.779 -0.477 RESID 64 (W): C 177.152 177.152 175.441 1.711 RESID 64 (W): CA 59.264 59.264 54.202 5.062 RESID 64 (W): CB 29.397 29.397 29.575 -0.178 RESID 64 (W): H 8.970 8.970 9.517 -0.547 RESID 65 (D): N 119.607 119.607 126.222 -6.615 RESID 65 (D): C 174.514 174.514 175.813 -1.299 RESID 65 (D): CA 55.164 55.164 53.163 2.001 RESID 65 (D): CB 41.109 41.109 43.175 -2.066 RESID 65 (D): H 8.638 8.638 9.186 -0.548 RESID 66 (T): N 122.463 122.463 117.805 4.658 RESID 66 (T): C 178.617 178.617 174.340 4.277 RESID 66 (T): CA 68.048 68.048 59.738 8.310 RESID 66 (T): CB 71.562 71.562 71.274 0.288 RESID 66 (T): H 8.293 8.293 8.462 -0.169 RESID 67 (A): N 104.865 104.865 122.955 -18.090 RESID 67 (A): C 177.738 177.738 177.439 0.299 RESID 67 (A): CA 48.722 48.722 51.793 -3.071 RESID 67 (A): CB 14.171 14.171 19.789 -5.618 RESID 67 (A): H 8.657 8.657 7.981 0.676 RESID 68 (G): N 115.357 115.357 109.691 5.666 RESID 68 (G): C 189.533 189.533 176.069 13.464 RESID 68 (G): CA 45.209 45.209 45.965 -0.756 RESID 68 (G): H 10.969 10.969 8.950 2.019 RESID 69 (Q): N 122.730 122.730 119.857 2.873 RESID 69 (Q): C 174.508 174.508 176.352 -1.844 RESID 69 (Q): CA 58.394 58.394 57.709 0.685 RESID 69 (Q): CB 31.441 31.441 28.786 2.655 RESID 69 (Q): H 8.336 8.336 8.552 -0.216 RESID 70 (E): N 114.826 114.826 119.954 -5.128 RESID 70 (E): C 176.273 176.273 175.755 0.518 RESID 70 (E): CA 57.507 57.507 56.288 1.219 RESID 70 (E): CB 28.811 28.811 30.367 -1.556 RESID 70 (E): H 9.651 9.651 8.270 1.381 RESID 71 (K): N 116.685 116.685 122.432 -5.747 RESID 71 (K): C 175.979 175.979 176.556 -0.577 RESID 71 (K): CA 48.722 48.722 56.312 -7.590 RESID 71 (K): CB 37.010 37.010 32.928 4.082 RESID 71 (K): H 8.712 8.712 8.296 0.416 RESID 72 (F): N 114.959 114.959 120.981 -6.022 RESID 72 (F): C 175.686 175.686 176.740 -1.054 RESID 72 (F): CA 56.336 56.336 59.084 -2.748 RESID 72 (F): CB 36.424 36.424 38.865 -2.441 RESID 72 (F): H 7.965 7.965 8.175 -0.210 RESID 73 (G): N 117.084 117.084 111.939 5.145 RESID 73 (G): C 168.068 168.068 174.691 -6.623 RESID 73 (G): CA 42.281 42.281 44.945 -2.664 RESID 73 (G): H 7.609 7.609 7.700 -0.091 RESID 74 (G): N 120.537 120.537 108.278 12.259 RESID 74 (G): C 174.514 174.514 176.536 -2.022 RESID 74 (G): CA 44.037 44.037 46.401 -2.364 RESID 74 (G): H 9.326 9.326 8.734 0.592 RESID 75 (L): N 127.177 127.177 121.905 5.272 RESID 75 (L): C 178.617 178.617 177.700 0.917 RESID 75 (L): CA 53.407 53.407 56.876 -3.469 RESID 75 (L): CB 42.281 42.281 41.963 0.318 RESID 75 (L): H 7.628 7.628 7.731 -0.103 RESID 76 (R): N 116.486 116.486 116.214 0.272 RESID 76 (R): C 176.859 176.859 177.038 -0.179 RESID 76 (R): CA 59.264 59.264 55.211 4.053 RESID 76 (R): CB 31.154 31.154 29.181 1.973 RESID 76 (R): H 7.143 7.143 7.521 -0.378 RESID 77 (D): N 129.236 129.236 120.436 8.800 RESID 77 (D): C 177.152 177.152 177.926 -0.774 RESID 77 (D): CA 52.822 52.822 57.642 -4.820 RESID 77 (D): CB 41.695 41.695 40.306 1.389 RESID 77 (D): H 8.947 8.947 7.564 1.383 RESID 78 (G): N 127.244 127.244 107.217 20.027 RESID 78 (G): C 173.928 173.928 176.199 -2.271 RESID 78 (G): CA 44.623 44.623 47.072 -2.449 RESID 78 (G): H 8.219 8.219 8.404 -0.185 RESID 79 (Y): N 120.537 120.537 118.675 1.862 RESID 79 (Y): C 176.273 176.273 177.673 -1.400 RESID 79 (Y): CA 58.678 58.678 58.573 0.105 RESID 79 (Y): CB 40.524 40.524 38.213 2.311 RESID 79 (Y): H 8.563 8.563 7.528 1.035 RESID 80 (Y): N 122.132 122.132 118.513 3.619 RESID 80 (Y): C 175.979 175.979 175.802 0.177 RESID 80 (Y): CA 62.203 62.203 59.341 2.862 RESID 80 (Y): CB 41.988 41.988 39.055 2.933 RESID 80 (Y): H 8.254 8.254 7.686 0.568 RESID 81 (I): N 120.072 120.072 120.802 -0.730 RESID 81 (I): C 177.445 177.445 175.977 1.468 RESID 81 (I): CA 67.462 67.462 63.362 4.100 RESID 81 (I): CB 41.109 41.109 38.136 2.973 RESID 81 (I): H 8.837 8.837 7.901 0.936 RESID 82 (Q): N 121.601 121.601 122.590 -0.989 RESID 82 (Q): C 173.342 173.342 174.131 -0.789 RESID 82 (Q): CA 59.859 59.859 56.557 3.302 RESID 82 (Q): CB 30.855 30.855 27.078 3.777 RESID 82 (Q): H 8.184 8.184 8.927 -0.743 RESID 83 (A): N 109.713 109.713 119.491 -9.778 RESID 83 (A): C 175.979 175.979 177.032 -1.053 RESID 83 (A): CA 54.579 54.579 52.263 2.316 RESID 83 (A): CB 16.513 16.513 19.186 -2.674 RESID 83 (A): H 6.306 6.306 7.406 -1.100 RESID 84 (Q): N 121.203 121.203 121.481 -0.278 RESID 84 (Q): C 177.144 177.144 176.068 1.076 RESID 84 (Q): CA 60.152 60.152 56.617 3.535 RESID 84 (Q): CB 34.957 34.957 31.067 3.890 RESID 84 (Q): H 8.180 8.180 8.518 -0.338 RESID 85 (C): N 120.605 120.605 111.788 8.817 RESID 85 (C): C 176.566 176.566 172.678 3.888 RESID 85 (C): CA 65.430 65.430 56.011 9.419 RESID 85 (C): CB 39.644 39.644 31.758 7.886 RESID 85 (C): H 8.364 8.364 7.802 0.562 RESID 86 (A): N 114.295 114.295 121.962 -7.667 RESID 86 (A): CA 57.507 57.507 50.573 6.934 RESID 86 (A): CB 21.784 21.784 22.912 -1.128 RESID 86 (A): H 6.897 6.897 8.735 -1.838 RESID 87 (I): N 120.670 120.670 120.871 -0.201 RESID 87 (I): C 173.928 173.928 174.652 -0.724 RESID 87 (I): CA 61.020 61.020 59.946 1.074 RESID 87 (I): CB 39.938 39.938 41.215 -1.276 RESID 87 (I): H 8.282 8.282 8.611 -0.329 RESID 88 (I): N 120.205 120.205 127.127 -6.922 RESID 88 (I): C 173.635 173.635 174.356 -0.721 RESID 88 (I): CA 64.534 64.534 60.168 4.366 RESID 88 (I): CB 37.596 37.596 40.063 -2.467 RESID 88 (I): H 5.528 5.528 8.958 -3.430 RESID 89 (M): N 120.472 120.472 127.702 -7.230 RESID 89 (M): C 178.617 178.617 174.263 4.354 RESID 89 (M): CA 58.980 58.980 53.843 5.137 RESID 89 (M): CB 34.957 34.957 35.935 -0.978 RESID 89 (M): H 8.176 8.176 8.531 -0.355 RESID 90 (F): N 121.134 121.134 120.215 0.919 RESID 90 (F): C 175.393 175.393 173.083 2.310 RESID 90 (F): CA 60.435 60.435 55.357 5.078 RESID 90 (F): CB 38.767 38.767 42.290 -3.523 RESID 90 (F): H 9.334 9.334 8.765 0.569 RESID 91 (D): N 120.273 120.273 121.410 -1.137 RESID 91 (D): C 177.730 177.730 178.165 -0.435 RESID 91 (D): CA 59.859 59.859 51.818 8.041 RESID 91 (D): CB 44.039 44.039 42.706 1.333 RESID 91 (D): H 7.597 7.597 8.876 -1.279 RESID 92 (V): N 115.158 115.158 123.720 -8.562 RESID 92 (V): C 173.342 173.342 176.644 -3.302 RESID 92 (V): CA 64.534 64.534 65.031 -0.497 RESID 92 (V): CB 37.596 37.596 31.361 6.235 RESID 92 (V): H 7.738 7.738 8.505 -0.767 RESID 93 (T): N 127.179 127.179 110.241 16.938 RESID 93 (T): C 178.902 178.902 174.750 4.152 RESID 93 (T): CA 64.254 64.254 63.158 1.096 RESID 93 (T): CB 74.215 74.215 69.140 5.075 RESID 93 (T): H 7.636 7.636 8.237 -0.601 RESID 94 (S): N 122.263 122.263 116.460 5.803 RESID 94 (S): C 163.965 163.965 174.970 -11.005 RESID 94 (S): CA 59.849 59.849 55.502 4.347 RESID 94 (S): CB 62.192 62.192 64.151 -1.959 RESID 94 (S): H 7.628 7.628 7.843 -0.215 RESID 95 (R): N 113.099 113.099 128.678 -15.579 RESID 95 (R): C 176.273 176.273 177.910 -1.637 RESID 95 (R): CA 53.407 53.407 59.639 -6.232 RESID 95 (R): CB 31.154 31.154 30.034 1.120 RESID 95 (R): H 8.102 8.102 9.081 -0.979 RESID 96 (V): N 124.787 124.787 119.367 5.420 RESID 96 (V): C 178.031 178.031 177.781 0.250 RESID 96 (V): CA 68.634 68.634 66.465 2.169 RESID 96 (V): CB 24.126 24.126 31.370 -7.245 RESID 96 (V): H 9.146 9.146 8.069 1.077 RESID 97 (T): N 111.970 111.970 116.365 -4.395 RESID 97 (T): C 178.031 178.031 176.247 1.784 RESID 97 (T): CA 63.949 63.949 66.451 -2.502 RESID 97 (T): CB 70.390 70.390 68.974 1.416 RESID 97 (T): H 7.984 7.984 7.693 0.291 RESID 98 (Y): N 113.232 113.232 121.371 -8.139 RESID 98 (Y): C 176.273 176.273 177.660 -1.387 RESID 98 (Y): H 7.605 7.605 7.822 -0.217 RESID 99 (K): N 123.726 123.726 118.786 4.940 RESID 99 (K): C 178.316 178.316 178.506 -0.190 RESID 99 (K): CA 58.691 58.691 59.431 -0.739 RESID 99 (K): CB 36.127 36.127 32.051 4.076 RESID 99 (K): H 8.360 8.360 8.055 0.305 RESID 100 (N): N 111.970 111.970 116.244 -4.274 RESID 100 (N): C 175.979 175.979 176.744 -0.765 RESID 100 (N): CA 53.407 53.407 55.134 -1.727 RESID 100 (N): CB 37.596 37.596 38.727 -1.131 RESID 100 (N): H 5.778 5.778 7.762 -1.984 RESID 101 (V): N 118.877 118.877 121.628 -2.751 RESID 101 (V): C 173.635 173.635 175.005 -1.370 RESID 101 (V): CA 62.777 62.777 68.458 -5.681 RESID 101 (V): CB 27.054 27.054 29.246 -2.192 RESID 101 (V): H 7.370 7.370 7.512 -0.142 RESID 102 (P): C 176.566 176.566 177.186 -0.620 RESID 102 (P): CA 62.500 62.500 65.351 -2.851 RESID 102 (P): CB 30.853 30.853 31.066 -0.213 RESID 103 (N): N 122.728 122.728 114.885 7.843 RESID 103 (N): C 175.100 175.100 176.860 -1.760 RESID 103 (N): CA 54.579 54.579 54.949 -0.370 RESID 103 (N): CB 38.767 38.767 37.201 1.566 RESID 103 (N): H 7.879 7.879 7.313 0.566 RESID 104 (W): N 122.730 122.730 120.118 2.612 RESID 104 (W): C 174.215 174.215 177.709 -3.494 RESID 104 (W): CA 59.273 59.273 60.478 -1.205 RESID 104 (W): CB 35.250 35.250 30.018 5.231 RESID 104 (W): H 7.902 7.902 7.765 0.137 RESID 105 (H): N 120.869 120.869 116.882 3.987 RESID 105 (H): C 177.738 177.738 174.448 3.290 RESID 105 (H): H 6.971 6.971 8.437 -1.466 RESID 106 (R): N 126.314 126.314 122.059 4.255 RESID 106 (R): C 176.566 176.566 176.609 -0.043 RESID 106 (R): CA 62.777 62.777 57.476 5.301 RESID 106 (R): CB 29.397 29.397 31.379 -1.982 RESID 106 (R): H 7.507 7.507 7.835 -0.328 RESID 107 (D): N 119.076 119.076 122.284 -3.208 RESID 107 (D): C 176.566 176.566 178.693 -2.127 RESID 107 (D): CA 55.164 55.164 57.585 -2.421 RESID 107 (D): CB 41.695 41.695 40.730 0.965 RESID 107 (D): H 9.076 9.076 7.880 1.196 RESID 108 (L): N 113.299 113.299 120.238 -6.939 RESID 108 (L): C 176.273 176.273 178.268 -1.995 RESID 108 (L): CA 59.264 59.264 58.091 1.173 RESID 108 (L): CB 48.722 48.722 41.264 7.457 RESID 108 (L): H 6.725 6.725 7.900 -1.175 RESID 109 (V): N 121.267 121.267 118.832 2.435 RESID 109 (V): C 175.393 175.393 178.594 -3.201 RESID 109 (V): CA 63.949 63.949 66.329 -2.380 RESID 109 (V): CB 32.911 32.911 31.172 1.740 RESID 109 (V): H 8.763 8.763 7.784 0.979 RESID 110 (R): N 112.900 112.900 119.729 -6.829 RESID 110 (R): C 176.273 176.273 178.433 -2.160 RESID 110 (R): CA 57.507 57.507 59.516 -2.009 RESID 110 (R): CB 30.568 30.568 30.085 0.483 RESID 110 (R): H 7.241 7.241 7.802 -0.561 RESID 111 (V): N 115.556 115.556 117.929 -2.373 RESID 111 (V): C 177.445 177.445 177.037 0.408 RESID 111 (V): CA 59.849 59.849 65.835 -5.987 RESID 111 (V): CB 32.911 32.911 32.596 0.315 RESID 111 (V): H 7.566 7.566 7.746 -0.180 RESID 112 (C): N 114.295 114.295 115.425 -1.130 RESID 112 (C): C 169.826 169.826 174.746 -4.920 RESID 112 (C): CA 57.507 57.507 58.254 -0.747 RESID 112 (C): CB 35.839 35.839 28.505 7.334 RESID 112 (C): H 7.425 7.425 8.240 -0.815 RESID 113 (E): N 116.486 116.486 118.025 -1.539 RESID 113 (E): C 176.566 176.566 175.135 1.431 RESID 113 (E): CA 69.219 69.219 58.277 10.942 RESID 113 (E): CB 30.568 30.568 28.519 2.049 RESID 113 (E): H 7.241 7.241 8.350 -1.109 RESID 114 (N): N 129.302 129.302 121.443 7.859 RESID 114 (N): C 175.100 175.100 174.634 0.466 RESID 114 (N): CA 52.236 52.236 52.573 -0.337 RESID 114 (N): CB 39.938 39.938 38.121 1.817 RESID 114 (N): H 8.919 8.919 8.366 0.553 RESID 115 (I): N 110.443 110.443 121.160 -10.717 RESID 115 (I): C 175.100 175.100 173.441 1.659 RESID 115 (I): CA 65.705 65.705 57.936 7.769 RESID 115 (I): CB 39.353 39.353 40.131 -0.778 RESID 115 (I): H 9.287 9.287 7.948 1.339 RESID 116 (P): C 175.979 175.979 175.721 0.258 RESID 116 (P): CA 63.086 63.086 63.169 -0.083 RESID 116 (P): CB 29.681 29.681 32.530 -2.849 RESID 117 (I): N 123.591 123.591 123.837 -0.246 RESID 117 (I): C 174.807 174.807 175.075 -0.268 RESID 117 (I): CA 66.291 66.291 60.265 6.026 RESID 117 (I): CB 38.767 38.767 42.250 -3.483 RESID 117 (I): H 7.781 7.781 8.545 -0.764 RESID 118 (V): N 119.009 119.009 125.778 -6.769 RESID 118 (V): C 178.324 178.324 174.756 3.568 RESID 118 (V): CA 62.777 62.777 60.697 2.080 RESID 118 (V): CB 31.154 31.154 34.034 -2.880 RESID 118 (V): H 8.767 8.767 8.737 0.030 RESID 119 (L): N 119.408 119.408 126.948 -7.540 RESID 119 (L): C 178.031 178.031 176.050 1.981 RESID 119 (L): CA 42.866 42.866 53.803 -10.937 RESID 119 (L): CB 38.767 38.767 43.656 -4.889 RESID 119 (L): H 7.734 7.734 9.189 -1.455 RESID 120 (C): N 113.232 113.232 122.572 -9.340 RESID 120 (C): C 178.031 178.031 174.242 3.789 RESID 120 (C): H 8.317 8.317 9.079 -0.762 RESID 121 (G): N 117.349 117.349 113.579 3.770 RESID 121 (G): C 176.851 176.851 172.819 4.032 RESID 121 (G): CA 41.109 41.109 43.658 -2.549 RESID 121 (G): H 7.515 7.515 8.913 -1.398 RESID 122 (N): N 125.318 125.318 123.807 1.511 RESID 122 (N): C 175.686 175.686 175.773 -0.087 RESID 122 (N): CA 50.479 50.479 49.977 0.502 RESID 122 (N): CB 39.353 39.353 40.896 -1.543 RESID 122 (N): H 9.162 9.162 8.598 0.564 RESID 123 (K): N 122.132 122.132 114.111 8.021 RESID 123 (K): C 173.043 173.043 177.109 -4.066 RESID 123 (K): CA 58.101 58.101 57.514 0.587 RESID 123 (K): CB 35.543 35.543 29.706 5.837 RESID 123 (K): H 7.953 7.953 8.593 -0.640 RESID 124 (V): N 123.726 123.726 112.832 10.894 RESID 124 (V): C 175.679 175.679 176.317 -0.638 RESID 124 (V): CA 64.840 64.840 64.608 0.232 RESID 124 (V): CB 42.574 42.574 31.421 11.153 RESID 124 (V): H 8.555 8.555 7.594 0.961 RESID 125 (D): N 119.607 119.607 119.594 0.013 RESID 125 (D): C 176.566 176.566 177.007 -0.441 RESID 125 (D): CA 55.750 55.750 56.202 -0.452 RESID 125 (D): CB 40.524 40.524 40.672 -0.148 RESID 125 (D): H 7.875 7.875 8.183 -0.308 RESID 126 (I): N 116.088 116.088 120.819 -4.731 RESID 126 (I): C 177.152 177.152 176.347 0.805 RESID 126 (I): CA 66.291 66.291 61.588 4.703 RESID 126 (I): CB 39.353 39.353 38.563 0.790 RESID 126 (I): H 7.511 7.511 7.413 0.098 RESID 127 (K): N 121.203 121.203 124.445 -3.242 RESID 127 (K): C 175.979 175.979 177.414 -1.435 RESID 127 (K): CA 58.101 58.101 57.956 0.145 RESID 127 (K): CB 35.834 35.834 32.607 3.227 RESID 127 (K): H 8.113 8.113 8.317 -0.204 RESID 128 (D): N 118.279 118.279 119.572 -1.293 RESID 128 (D): C 176.566 176.566 174.952 1.614 RESID 128 (D): CA 53.407 53.407 53.056 0.351 RESID 128 (D): CB 40.524 40.524 39.778 0.746 RESID 128 (D): H 7.241 7.241 8.094 -0.853 RESID 129 (R): N 118.943 118.943 123.822 -4.879 RESID 129 (R): C 177.738 177.738 176.295 1.443 RESID 129 (R): CA 45.794 45.794 56.037 -10.243 RESID 129 (R): CB 31.154 31.154 31.288 -0.134 RESID 129 (R): H 8.423 8.423 7.920 0.503 RESID 130 (K): N 109.381 109.381 124.923 -15.542 RESID 130 (K): C 176.566 176.566 176.662 -0.096 RESID 130 (K): CA 55.164 55.164 57.631 -2.467 RESID 130 (K): CB 36.424 36.424 33.621 2.803 RESID 130 (K): H 7.296 7.296 8.342 -1.046 RESID 131 (V): N 110.377 110.377 121.942 -11.565 RESID 131 (V): C 178.617 178.617 174.376 4.241 RESID 131 (V): CA 65.705 65.705 61.574 4.131 RESID 131 (V): CB 35.839 35.839 31.379 4.460 RESID 131 (V): H 9.283 9.283 8.237 1.046 RESID 132 (K): N 110.310 110.310 127.504 -17.194 RESID 132 (K): C 176.273 176.273 177.524 -1.251 RESID 132 (K): CA 59.849 59.849 55.922 3.927 RESID 132 (K): CB 35.253 35.253 34.231 1.022 RESID 132 (K): H 9.709 9.709 8.161 1.548 RESID 133 (A): N 134.349 134.349 127.009 7.340 RESID 133 (A): CA 51.065 51.065 55.048 -3.983 RESID 133 (A): CB 12.999 12.999 18.464 -5.465 RESID 133 (A): H 6.322 6.322 8.774 -2.452 RESID 134 (K): N 117.615 117.615 117.983 -0.368 RESID 134 (K): C 176.859 176.859 178.752 -1.893 RESID 134 (K): CA 55.750 55.750 58.813 -3.063 RESID 134 (K): CB 54.579 54.579 32.298 22.281 RESID 134 (K): H 6.549 6.549 8.236 -1.687 RESID 135 (S): N 109.314 109.314 114.703 -5.389 RESID 135 (S): C 173.635 173.635 174.975 -1.340 RESID 135 (S): CA 56.336 56.336 59.839 -3.503 RESID 135 (S): CB 63.949 63.949 63.064 0.885 RESID 135 (S): H 7.840 7.840 7.799 0.041 RESID 136 (I): N 124.123 124.123 121.756 2.367 RESID 136 (I): C 175.100 175.100 175.848 -0.748 RESID 136 (I): CA 68.634 68.634 62.961 5.673 RESID 136 (I): CB 43.452 43.452 37.902 5.550 RESID 136 (I): H 8.098 8.098 7.385 0.713 RESID 137 (V): N 113.232 113.232 124.478 -11.246 RESID 137 (V): C 176.859 176.859 176.221 0.638 RESID 137 (V): CA 64.534 64.534 62.308 2.226 RESID 137 (V): CB 34.082 34.082 32.354 1.728 RESID 137 (V): H 7.711 7.711 8.282 -0.571 RESID 138 (F): N 118.279 118.279 123.372 -5.093 RESID 138 (F): C 175.393 175.393 176.304 -0.911 RESID 138 (F): CA 58.092 58.092 62.741 -4.649 RESID 138 (F): CB 39.353 39.353 39.231 0.122 RESID 138 (F): H 8.317 8.317 7.657 0.660 RESID 139 (H): N 120.605 120.605 116.417 4.188 RESID 139 (H): C 175.979 175.979 177.111 -1.132 RESID 139 (H): CA 67.775 67.775 59.410 8.365 RESID 139 (H): CB 35.836 35.836 28.965 6.871 RESID 139 (H): H 8.094 8.094 8.951 -0.857 RESID 140 (R): N 120.140 120.140 120.272 -0.132 RESID 140 (R): C 178.023 178.023 179.233 -1.210 RESID 140 (R): CA 58.394 58.394 59.326 -0.932 RESID 140 (R): CB 39.644 39.644 29.672 9.972 RESID 140 (R): H 8.149 8.149 7.041 1.108 RESID 141 (K): N 115.623 115.623 120.197 -4.574 RESID 141 (K): C 173.635 173.635 178.205 -4.570 RESID 141 (K): CA 58.092 58.092 58.710 -0.618 RESID 141 (K): CB 33.496 33.496 32.299 1.197 RESID 141 (K): H 7.449 7.449 7.553 -0.104 RESID 142 (K): N 114.162 114.162 116.081 -1.919 RESID 142 (K): C 175.979 175.979 176.008 -0.029 RESID 142 (K): CA 51.065 51.065 54.912 -3.847 RESID 142 (K): CB 34.668 34.668 31.784 2.885 RESID 142 (K): H 8.982 8.982 7.757 1.225 RESID 143 (N): N 112.103 112.103 116.624 -4.521 RESID 143 (N): C 175.100 175.100 173.982 1.118 RESID 143 (N): CA 53.407 53.407 53.811 -0.404 RESID 143 (N): CB 39.938 39.938 37.171 2.767 RESID 143 (N): H 7.402 7.402 7.675 -0.273 RESID 144 (L): N 118.810 118.810 116.542 2.268 RESID 144 (L): CA 53.993 53.993 53.319 0.674 RESID 144 (L): CB 42.866 42.866 44.543 -1.677 RESID 144 (L): H 7.793 7.793 8.064 -0.271 RESID 145 (Q): N 119.607 119.607 118.001 1.606 RESID 145 (Q): C 176.859 176.859 174.238 2.621 RESID 145 (Q): CA 55.164 55.164 53.533 1.631 RESID 145 (Q): CB 29.983 29.983 30.752 -0.769 RESID 145 (Q): H 7.014 7.014 7.974 -0.960 RESID 146 (Y): N 119.275 119.275 124.822 -5.547 RESID 146 (Y): C 174.807 174.807 174.339 0.468 RESID 146 (Y): CA 62.777 62.777 56.115 6.662 RESID 146 (Y): CB 41.109 41.109 40.415 0.694 RESID 146 (Y): H 9.350 9.350 8.204 1.146 RESID 147 (Y): N 123.658 123.658 125.842 -2.184 RESID 147 (Y): C 177.738 177.738 173.815 3.923 RESID 147 (Y): CA 58.092 58.092 56.215 1.877 RESID 147 (Y): CB 39.938 39.938 41.905 -1.967 RESID 147 (Y): H 8.340 8.340 8.646 -0.306 RESID 148 (D): N 121.267 121.267 123.702 -2.435 RESID 148 (D): C 176.859 176.859 175.269 1.590 RESID 148 (D): CA 54.579 54.579 54.392 0.187 RESID 148 (D): CB 41.109 41.109 41.638 -0.529 RESID 148 (D): H 8.911 8.911 8.340 0.571 RESID 149 (I): N 119.607 119.607 118.695 0.912 RESID 149 (I): C 174.807 174.807 174.403 0.404 RESID 149 (I): CA 61.020 61.020 59.129 1.891 RESID 149 (I): CB 39.353 39.353 42.619 -3.266 RESID 149 (I): H 8.712 8.712 8.643 0.069 RESID 150 (S): N 117.349 117.349 116.998 0.351 RESID 150 (S): C 175.686 175.686 174.490 1.196 RESID 150 (S): CA 60.435 60.435 55.413 5.022 RESID 150 (S): CB 62.192 62.192 65.375 -3.183 RESID 150 (S): H 8.454 8.454 8.485 -0.031 RESID 151 (A): N 131.162 131.162 130.864 0.298 RESID 151 (A): C 160.742 160.742 179.326 -18.584 RESID 151 (A): CA 53.993 53.993 55.251 -1.258 RESID 151 (A): CB 22.369 22.369 18.933 3.436 RESID 151 (A): H 10.640 10.640 8.989 1.651 RESID 152 (K): N 121.400 121.400 118.650 2.750 RESID 152 (K): C 174.221 174.221 178.017 -3.796 RESID 152 (K): CA 59.849 59.849 58.586 1.263 RESID 152 (K): CB 34.668 34.668 32.414 2.254 RESID 152 (K): H 9.099 9.099 8.394 0.705 RESID 153 (S): N 135.212 135.212 110.770 24.442 RESID 153 (S): C 177.152 177.152 174.823 2.329 RESID 153 (S): CA 62.192 62.192 58.153 4.039 RESID 153 (S): CB 66.291 66.291 64.163 2.128 RESID 153 (S): H 8.935 8.935 7.821 1.114 RESID 154 (N): N 119.341 119.341 116.730 2.611 RESID 154 (N): C 175.979 175.979 173.961 2.018 RESID 154 (N): CA 49.894 49.894 54.735 -4.841 RESID 154 (N): CB 39.353 39.353 36.559 2.795 RESID 154 (N): H 7.488 7.488 8.087 -0.599 RESID 155 (Y): N 120.074 120.074 122.762 -2.688 RESID 155 (Y): C 177.144 177.144 175.274 1.870 RESID 155 (Y): CA 60.738 60.738 59.547 1.191 RESID 155 (Y): CB 41.402 41.402 38.762 2.640 RESID 155 (Y): H 7.945 7.945 7.498 0.447 RESID 156 (N): N 124.058 124.058 122.875 1.183 RESID 156 (N): C 175.679 175.679 175.148 0.531 RESID 156 (N): CA 53.121 53.121 54.240 -1.119 RESID 156 (N): CB 38.179 38.179 35.988 2.191 RESID 156 (N): H 8.192 8.192 8.899 -0.707 RESID 157 (F): N 123.459 123.459 119.408 4.051 RESID 157 (F): C 174.221 174.221 175.965 -1.744 RESID 157 (F): CA 57.507 57.507 61.118 -3.611 RESID 157 (F): CB 39.353 39.353 39.224 0.129 RESID 157 (F): H 7.429 7.429 7.640 -0.211 RESID 158 (E): N 112.568 112.568 115.640 -3.072 RESID 158 (E): C 176.566 176.566 177.263 -0.697 RESID 158 (E): CA 72.147 72.147 57.184 14.963 RESID 158 (E): CB 27.640 27.640 29.183 -1.543 RESID 158 (E): H 7.495 7.495 8.680 -1.185 RESID 159 (K): N 113.232 113.232 120.226 -6.994 RESID 159 (K): C 176.566 176.566 175.718 0.848 RESID 159 (K): CA 53.993 53.993 61.428 -7.435 RESID 159 (K): CB 33.496 33.496 30.138 3.358 RESID 159 (K): H 6.862 6.862 7.295 -0.433 RESID 160 (P): C 176.273 176.273 178.525 -2.252 RESID 160 (P): CA 64.258 64.258 65.628 -1.370 RESID 160 (P): CB 32.318 32.318 31.109 1.209 RESID 161 (F): N 123.726 123.726 116.037 7.689 RESID 161 (F): C 176.851 176.851 177.553 -0.702 RESID 161 (F): CA 60.445 60.445 61.898 -1.454 RESID 161 (F): CB 40.816 40.816 37.589 3.227 RESID 161 (F): H 8.215 8.215 7.247 0.968 RESID 162 (L): N 110.177 110.177 119.170 -8.993 RESID 162 (L): C 176.273 176.273 178.703 -2.430 RESID 162 (L): CA 55.750 55.750 57.964 -2.214 RESID 162 (L): CB 44.037 44.037 41.507 2.530 RESID 162 (L): H 7.527 7.527 7.994 -0.467 RESID 163 (W): N 123.525 123.525 121.351 2.174 RESID 163 (W): C 177.152 177.152 178.025 -0.873 RESID 163 (W): CA 61.606 61.606 62.225 -0.619 RESID 163 (W): CB 28.811 28.811 29.552 -0.741 RESID 163 (W): H 7.476 7.476 8.191 -0.715 RESID 164 (L): N 119.740 119.740 119.031 0.709 RESID 164 (L): C 175.686 175.686 178.885 -3.199 RESID 164 (L): CA 61.020 61.020 57.834 3.186 RESID 164 (L): CB 45.794 45.794 41.345 4.449 RESID 164 (L): H 9.412 9.412 8.042 1.370 RESID 165 (A): N 118.013 118.013 121.466 -3.453 RESID 165 (A): C 165.723 165.723 179.550 -13.827 RESID 165 (A): CA 52.236 52.236 55.262 -3.026 RESID 165 (A): CB 21.784 21.784 18.173 3.611 RESID 165 (A): H 7.707 7.707 8.340 -0.633 RESID 166 (R): N 122.994 122.994 118.389 4.605 RESID 166 (R): C 175.979 175.979 178.838 -2.859 RESID 166 (R): CA 49.308 49.308 59.167 -9.859 RESID 166 (R): CB 29.397 29.397 30.116 -0.719 RESID 166 (R): H 8.692 8.692 8.117 0.575 RESID 167 (K): N 112.568 112.568 120.119 -7.551 RESID 167 (K): C 176.273 176.273 179.168 -2.895 RESID 167 (K): CA 58.092 58.092 58.493 -0.401 RESID 167 (K): CB 34.668 34.668 31.450 3.219 RESID 167 (K): H 6.819 6.819 7.404 -0.585 RESID 168 (L): N 114.959 114.959 119.437 -4.478 RESID 168 (L): C 177.738 177.738 178.993 -1.255 RESID 168 (L): CA 56.921 56.921 57.530 -0.609 RESID 168 (L): CB 41.695 41.695 41.576 0.119 RESID 168 (L): H 7.269 7.269 7.739 -0.470 RESID 169 (I): N 122.199 122.199 117.326 4.873 RESID 169 (I): C 177.445 177.445 177.111 0.334 RESID 169 (I): CA 63.375 63.375 63.255 0.120 RESID 169 (I): CB 42.281 42.281 38.577 3.704 RESID 169 (I): H 8.360 8.360 8.118 0.242 RESID 170 (G): N 113.099 113.099 106.704 6.395 RESID 170 (G): C 162.496 162.496 173.948 -11.452 RESID 170 (G): CA 44.037 44.037 44.865 -0.828 RESID 170 (G): H 6.686 6.686 7.967 -1.281 RESID 171 (D): N 113.232 113.232 121.664 -8.432 RESID 171 (D): C 178.910 178.910 175.607 3.303 RESID 171 (D): CA 50.479 50.479 50.468 0.011 RESID 171 (D): CB 41.109 41.109 41.825 -0.716 RESID 171 (D): H 6.815 6.815 7.675 -0.860 RESID 172 (P): C 176.566 176.566 177.072 -0.506 RESID 172 (P): CA 63.965 63.965 64.185 -0.220 RESID 172 (P): CB 31.732 31.732 32.252 -0.520 RESID 173 (N): N 109.779 109.779 116.300 -6.521 RESID 173 (N): C 175.979 175.979 174.719 1.260 RESID 173 (N): CA 54.579 54.579 53.046 1.533 RESID 173 (N): CB 36.424 36.424 38.931 -2.507 RESID 173 (N): H 8.016 8.016 8.369 -0.353 RESID 174 (L): N 109.248 109.248 123.129 -13.881 RESID 174 (L): C 176.566 176.566 175.716 0.850 RESID 174 (L): CA 56.336 56.336 56.017 0.319 RESID 174 (L): CB 44.037 44.037 42.775 1.262 RESID 174 (L): H 7.871 7.871 7.254 0.617 RESID 175 (E): N 125.185 125.185 125.248 -0.063 RESID 175 (E): C 177.445 177.445 174.916 2.529 RESID 175 (E): CA 76.247 76.247 54.065 22.182 RESID 175 (E): CB 28.811 28.811 33.907 -5.096 RESID 175 (E): H 9.127 9.127 8.185 0.942 RESID 176 (F): N 136.873 136.873 123.148 13.725 RESID 176 (F): C 178.617 178.617 175.874 2.743 RESID 176 (F): CA 59.264 59.264 58.318 0.946 RESID 176 (F): CB 44.623 44.623 40.231 4.392 RESID 176 (F): H 10.058 10.058 8.652 1.406 RESID 177 (V): N 118.877 118.877 124.355 -5.478 RESID 177 (V): C 177.445 177.445 174.312 3.133 RESID 177 (V): CA 62.777 62.777 59.160 3.617 RESID 177 (V): CB 34.668 34.668 33.917 0.751 RESID 177 (V): H 7.789 7.789 7.968 -0.179 RESID 178 (A): N 123.859 123.859 126.508 -2.649 RESID 178 (A): C 177.144 177.144 177.089 0.055 RESID 178 (A): CA 54.000 54.000 54.795 -0.796 RESID 178 (A): CB 15.035 15.035 18.950 -3.915 RESID 178 (A): H 7.683 7.683 8.232 -0.549 RESID 179 (M): N 121.668 121.668 117.155 4.513 RESID 179 (M): C 177.144 177.144 173.413 3.731 RESID 179 (M): CA 60.445 60.445 52.956 7.489 RESID 179 (M): CB 39.351 39.351 33.172 6.179 RESID 179 (M): H 7.648 7.648 7.749 -0.101 RESID 180 (P): C 177.445 177.445 175.408 2.037 RESID 180 (P): CA 64.844 64.844 62.410 2.434 RESID 180 (P): CB 29.974 29.974 32.828 -2.854 RESID 181 (A): N 128.439 128.439 123.445 4.994 RESID 181 (A): C 176.273 176.273 177.427 -1.154 RESID 181 (A): CA 58.092 58.092 52.172 5.920 RESID 181 (A): CB 21.198 21.198 19.428 1.770 RESID 181 (A): H 8.673 8.673 8.163 0.510 RESID 182 (L): N 122.130 122.130 122.367 -0.237 RESID 182 (L): C 177.445 177.445 177.011 0.434 RESID 182 (L): CA 55.164 55.164 54.154 1.010 RESID 182 (L): CB 42.866 42.866 43.167 -0.301 RESID 182 (L): H 8.821 8.821 8.329 0.492 RESID 183 (A): N 121.004 121.004 126.646 -5.642 RESID 183 (A): C 178.617 178.617 175.659 2.958 RESID 183 (A): CA 57.808 57.808 50.059 7.748 RESID 183 (A): CB 24.117 24.117 18.655 5.462 RESID 183 (A): H 8.356 8.356 8.230 0.126 RESID 184 (P): C 177.152 177.152 175.012 2.140 RESID 184 (P): CA 64.258 64.258 61.908 2.350 RESID 184 (P): CB 29.681 29.681 31.410 -1.730 RESID 185 (P): C 175.686 175.686 176.754 -1.068 RESID 185 (P): CA 63.379 63.379 62.374 1.005 RESID 185 (P): CB 35.248 35.248 32.366 2.882 RESID 186 (E): N 120.539 120.539 121.885 -1.346 RESID 186 (E): C 176.273 176.273 176.391 -0.118 RESID 186 (E): CA 58.101 58.101 57.831 0.270 RESID 186 (E): CB 35.836 35.836 30.112 5.724 RESID 186 (E): H 8.086 8.086 8.319 -0.233 RESID 187 (V): N 124.455 124.455 118.490 5.965 RESID 187 (V): C 178.910 178.910 175.197 3.713 RESID 187 (V): CA 63.363 63.363 62.841 0.522 RESID 187 (V): CB 34.082 34.082 31.179 2.903 RESID 187 (V): H 8.622 8.622 8.276 0.346 RESID 188 (V): N 128.572 128.572 121.949 6.623 RESID 188 (V): C 178.324 178.324 176.445 1.879 RESID 188 (V): CA 68.634 68.634 61.504 7.130 RESID 188 (V): CB 31.154 31.154 33.200 -2.046 RESID 188 (V): H 8.497 8.497 8.082 0.415 RESID 189 (M): N 122.795 122.795 120.304 2.491 RESID 189 (M): C 177.445 177.445 176.181 1.264 RESID 189 (M): CA 55.164 55.164 56.957 -1.793 RESID 189 (M): CB 35.253 35.253 31.314 3.938 RESID 189 (M): H 6.991 6.991 8.437 -1.446 RESID 190 (D): N 114.959 114.959 117.928 -2.969 RESID 190 (D): C 175.686 175.686 175.238 0.448 RESID 190 (D): CA 51.065 51.065 54.441 -3.376 RESID 190 (D): CB 41.695 41.695 39.568 2.127 RESID 190 (D): H 7.210 7.210 8.653 -1.443 RESID 191 (P): C 176.566 176.566 178.438 -1.872 RESID 191 (P): CA 63.965 63.965 64.854 -0.889 RESID 191 (P): CB 31.146 31.146 31.944 -0.798 RESID 192 (A): N 109.513 109.513 122.163 -12.650 RESID 192 (A): CA 53.993 53.993 54.382 -0.389 RESID 192 (A): CB 19.441 19.441 18.251 1.190 RESID 192 (A): H 7.394 7.394 8.243 -0.849 RESID 193 (L): N 119.009 119.009 118.352 0.657 RESID 193 (L): C 175.979 175.979 176.562 -0.583 RESID 193 (L): CA 56.336 56.336 55.058 1.278 RESID 193 (L): CB 42.866 42.866 41.575 1.291 RESID 193 (L): H 8.340 8.340 7.801 0.539 RESID 194 (A): N 121.666 121.666 120.084 1.582 RESID 194 (A): C 166.896 166.896 178.152 -11.256 RESID 194 (A): CA 55.164 55.164 52.942 2.222 RESID 194 (A): CB 16.513 16.513 19.140 -2.627 RESID 194 (A): H 8.176 8.176 7.332 0.844 RESID 195 (A): N 119.541 119.541 121.610 -2.069 RESID 195 (A): C 173.928 173.928 178.890 -4.962 RESID 195 (A): CA 57.507 57.507 54.116 3.391 RESID 195 (A): CB 19.441 19.441 17.074 2.367 RESID 195 (A): H 8.364 8.364 8.881 -0.517 RESID 196 (Q): N 107.322 107.322 119.383 -12.061 RESID 196 (Q): C 176.273 176.273 177.453 -1.180 RESID 196 (Q): CA 56.921 56.921 58.267 -1.346 RESID 196 (Q): CB 29.983 29.983 28.567 1.416 RESID 196 (Q): H 7.910 7.910 7.781 0.129 RESID 197 (Y): N 119.277 119.277 118.367 0.910 RESID 197 (Y): C 178.316 178.316 178.514 -0.198 RESID 197 (Y): CA 56.343 56.343 61.647 -5.304 RESID 197 (Y): CB 43.453 43.453 37.659 5.794 RESID 197 (Y): H 8.180 8.180 8.096 0.084 RESID 198 (E): N 110.244 110.244 119.326 -9.082 RESID 198 (E): C 176.273 176.273 178.988 -2.715 RESID 198 (E): CA 53.407 53.407 59.467 -6.060 RESID 198 (E): CB 30.568 30.568 29.202 1.366 RESID 198 (E): H 7.523 7.523 8.180 -0.657 RESID 199 (H): N 119.211 119.211 119.793 -0.582 RESID 199 (H): C 178.902 178.902 177.159 1.743 RESID 199 (H): CA 58.687 58.687 59.370 -0.683 RESID 199 (H): CB 34.957 34.957 29.785 5.172 RESID 199 (H): H 8.258 8.258 7.649 0.609 RESID 200 (D): N 124.722 124.722 120.051 4.671 RESID 200 (D): C 176.705 176.705 178.948 -2.243 RESID 200 (D): CA 58.687 58.687 57.313 1.374 RESID 200 (D): CB 39.644 39.644 40.422 -0.778 RESID 200 (D): H 8.086 8.086 8.316 -0.230 RESID 201 (L): N 116.353 116.353 120.238 -3.885 RESID 201 (L): C 178.910 178.910 178.991 -0.081 RESID 201 (L): CA 61.606 61.606 58.216 3.390 RESID 201 (L): CB 41.109 41.109 41.823 -0.714 RESID 201 (L): H 7.722 7.722 8.156 -0.434 RESID 202 (E): N 118.080 118.080 119.716 -1.636 RESID 202 (E): C 176.566 176.566 179.281 -2.715 RESID 202 (E): CA 56.921 56.921 59.451 -2.530 RESID 202 (E): CB 30.568 30.568 29.567 1.001 RESID 202 (E): H 8.857 8.857 7.885 0.972 RESID 203 (V): N 129.369 129.369 119.862 9.507 RESID 203 (V): C 178.617 178.617 177.822 0.795 RESID 203 (V): CA 64.534 64.534 66.473 -1.939 RESID 203 (V): CB 27.640 27.640 31.119 -3.479 RESID 203 (V): H 9.283 9.283 7.740 1.543 RESID 204 (A): N 109.580 109.580 121.966 -12.386 RESID 204 (A): C 176.859 176.859 179.437 -2.578 RESID 204 (A): CA 54.579 54.579 55.013 -0.434 RESID 204 (A): CB 18.270 18.270 18.229 0.041 RESID 204 (A): H 8.528 8.528 8.058 0.470 RESID 205 (Q): N 123.328 123.328 116.328 7.000 RESID 205 (Q): C 177.418 177.418 178.179 -0.761 RESID 205 (Q): CA 57.515 57.515 58.485 -0.970 RESID 205 (Q): CB 33.785 33.785 29.057 4.728 RESID 205 (Q): H 8.160 8.160 8.025 0.135 RESID 206 (T): N 120.271 120.271 113.789 6.482 RESID 206 (T): C 176.273 176.273 175.445 0.828 RESID 206 (T): CA 67.462 67.462 64.629 2.833 RESID 206 (T): CB 70.390 70.390 69.112 1.278 RESID 206 (T): H 7.585 7.585 7.761 -0.176 RESID 207 (T): N 111.970 111.970 118.680 -6.710 RESID 207 (T): C 176.566 176.566 174.096 2.470 RESID 207 (T): CA 64.534 64.534 63.370 1.163 RESID 207 (T): CB 72.733 72.733 69.557 3.176 RESID 207 (T): H 7.468 7.468 7.599 -0.131 RESID 208 (A): N 115.623 115.623 128.503 -12.880 RESID 208 (A): C 168.947 168.947 177.274 -8.327 RESID 208 (A): CA 55.164 55.164 52.073 3.091 RESID 208 (A): CB 22.369 22.369 19.497 2.872 RESID 208 (A): H 7.390 7.390 8.240 -0.850 RESID 209 (L): N 117.814 117.814 124.164 -6.350 RESID 209 (L): C 176.273 176.273 175.256 1.017 RESID 209 (L): CA 58.678 58.678 52.777 5.901 RESID 209 (L): CB 46.380 46.380 42.518 3.862 RESID 209 (L): H 7.652 7.652 8.193 -0.541 RESID 210 (P): C 176.566 176.566 175.399 1.167 RESID 210 (P): CA 63.086 63.086 62.169 0.917 RESID 210 (P): CB 31.146 31.146 32.643 -1.497 RESID 211 (D): N 122.863 122.863 120.533 2.330 RESID 211 (D): C 175.686 175.686 175.468 0.218 RESID 211 (D): CA 56.343 56.343 54.527 1.816 RESID 211 (D): CB 41.402 41.402 41.128 0.274 RESID 211 (D): H 8.360 8.360 8.347 0.013 RESID 212 (E): N 131.162 131.162 125.089 6.073 RESID 212 (E): C 176.273 176.273 176.439 -0.166 RESID 212 (E): CA 55.164 55.164 57.629 -2.465 RESID 212 (E): CB 30.568 30.568 31.251 -0.683 RESID 212 (E): H 8.399 8.399 8.662 -0.263 RESID 213 (D): N 122.797 122.797 115.866 6.931 RESID 213 (D): C 177.152 177.152 177.401 -0.249 RESID 213 (D): CA 61.914 61.914 53.615 8.299 RESID 213 (D): CB 49.607 49.607 41.429 8.178 RESID 213 (D): H 8.168 8.168 8.437 -0.269 RESID 214 (D): N 112.369 112.369 121.768 -9.399 RESID 214 (D): C 178.910 178.910 177.254 1.656 RESID 214 (D): CA 54.579 54.579 56.811 -2.232 RESID 214 (D): CB 39.353 39.353 40.357 -1.004 RESID 214 (D): H 7.464 7.464 8.115 -0.651 RESID 215 (D): N 127.244 127.244 118.840 8.404 RESID 215 (D): C 176.859 176.859 177.051 -0.192 RESID 215 (D): CA 54.579 54.579 55.877 -1.298 RESID 215 (D): CB 40.524 40.524 40.925 -0.401 RESID 215 (D): H 8.301 8.301 8.176 0.125 N HA C CA CB H RESID 3 (A): 2.997 ----- -2.157 -4.679 0.294 0.264 RESID 4 (Q): 1.141 ----- -0.555 -2.192 -2.049 0.698 RESID 5 (G): 14.805 ----- 8.112 0.859 ----- 0.120 RESID 6 (E): 6.957 ----- 1.024 3.176 -1.637 1.311 RESID 7 (P): ----- ----- -0.487 -1.241 -1.185 ----- RESID 8 (Q): -1.764 ----- 2.126 -5.624 -2.718 -1.968 RESID 9 (V): -0.882 ----- 4.661 2.600 -0.508 -1.154 RESID 10 (Q): -9.347 ----- 1.753 1.237 -3.940 -0.231 RESID 11 (F): -6.091 ----- 1.794 3.421 -1.134 -0.694 RESID 12 (K): 4.135 ----- 3.789 2.293 ----- 1.286 RESID 13 (L): -17.270 ----- 3.142 1.167 -3.044 -1.999 RESID 14 (V): 0.542 ----- 1.247 9.299 -4.571 -0.532 RESID 15 (L): -2.398 ----- 2.614 2.567 ----- -1.336 RESID 16 (V): -0.352 ----- 4.006 4.756 0.740 0.111 RESID 17 (G): 21.096 ----- 1.362 -2.446 ----- 2.803 RESID 18 (D): 3.975 ----- -0.839 3.180 4.093 -0.145 RESID 19 (G): 14.729 ----- 3.734 -3.050 ----- 0.089 RESID 20 (G): 16.015 ----- -1.699 -3.662 ----- 0.588 RESID 21 (T): 5.351 ----- -3.718 -4.414 -4.187 0.540 RESID 22 (G): 6.225 ----- 9.582 -0.083 ----- -1.643 RESID 23 (K): 1.702 ----- 0.613 -0.960 8.316 -0.940 RESID 24 (T): -0.471 ----- 1.619 -4.964 3.377 -0.044 RESID 25 (T): -8.961 ----- 2.120 -3.042 3.037 0.179 RESID 26 (F): -8.886 ----- -2.675 -8.763 1.580 -0.868 RESID 27 (V): 2.547 ----- 0.159 0.660 -2.175 -1.395 RESID 28 (K): -5.556 ----- -2.076 -1.900 2.084 -0.798 RESID 29 (R): -7.982 ----- -5.099 12.937 7.593 -1.433 RESID 30 (H): 4.535 ----- -4.800 -8.001 1.033 -0.226 RESID 31 (L): -7.538 ----- -0.494 -2.123 0.024 -0.261 RESID 32 (T): 15.310 ----- -4.864 1.808 4.948 0.087 RESID 33 (G): 17.689 ----- -12.076 -1.929 ----- 1.942 RESID 34 (E): 0.577 ----- -0.524 2.419 3.614 0.713 RESID 35 (F): -7.402 ----- -1.029 -7.622 0.898 -1.480 RESID 36 (E): -4.882 ----- -0.454 3.916 17.397 -0.481 RESID 37 (K): -8.222 ----- -4.853 -9.855 3.927 -0.044 RESID 38 (K): -11.700 ----- 0.546 3.503 1.648 -0.238 RESID 39 (Y): -16.321 ----- 0.694 3.128 -2.678 -1.112 RESID 40 (V): -10.889 ----- 1.316 0.795 -3.943 0.496 RESID 42 (T): -2.427 ----- 5.121 -2.111 0.826 -0.257 RESID 43 (L): -8.252 ----- -2.710 2.815 -0.064 0.722 RESID 44 (G): 0.751 ----- 6.033 8.695 ----- -1.670 RESID 45 (V): -12.591 ----- -0.294 2.561 -17.223 0.366 RESID 46 (E): 2.580 ----- 2.244 0.435 0.081 0.858 RESID 47 (V): 0.301 ----- -0.038 1.574 4.937 -0.060 RESID 48 (H): 1.988 ----- -3.780 -3.541 -4.547 1.089 RESID 49 (P): ----- ----- 0.305 -0.337 -2.404 ----- RESID 50 (L): -8.009 ----- 1.982 5.134 -3.033 -1.671 RESID 51 (V): -4.488 ----- -0.567 3.067 3.878 -0.473 RESID 52 (F): -1.567 ----- 0.818 -0.344 -2.409 -0.334 RESID 53 (H): -2.377 ----- -4.943 -0.097 -0.150 -0.701 RESID 54 (T): -3.400 ----- 2.641 4.001 1.033 -0.797 RESID 55 (N): 10.637 ----- -0.090 -4.741 -1.263 1.571 RESID 56 (R): 3.301 ----- -1.042 6.389 3.099 -0.354 RESID 57 (G): 19.788 ----- 4.004 -2.018 ----- 1.720 RESID 58 (P): ----- ----- 1.364 2.163 -2.992 ----- RESID 59 (I): 6.303 ----- 1.659 6.126 -1.481 -0.223 RESID 60 (K): 2.349 ----- 4.036 20.003 -3.856 -0.619 RESID 61 (F): -4.938 ----- 0.361 0.563 0.125 -2.093 RESID 62 (N): 0.823 ----- -0.920 0.877 2.227 -0.805 RESID 63 (V): -21.819 ----- -0.295 -1.575 -1.740 -0.999 RESID 64 (W): -0.477 ----- 1.711 5.062 -0.178 -0.547 RESID 65 (D): -6.615 ----- -1.299 2.001 -2.066 -0.548 RESID 66 (T): 4.658 ----- 4.277 8.310 0.288 -0.169 RESID 67 (A): -18.090 ----- 0.299 -3.071 -5.618 0.676 RESID 68 (G): 5.666 ----- 13.464 -0.756 ----- 2.019 RESID 69 (Q): 2.873 ----- -1.844 0.685 2.655 -0.216 RESID 70 (E): -5.128 ----- 0.518 1.219 -1.556 1.381 RESID 71 (K): -5.747 ----- -0.577 -7.590 4.082 0.416 RESID 72 (F): -6.022 ----- -1.054 -2.748 -2.441 -0.210 RESID 73 (G): 5.145 ----- -6.623 -2.664 ----- -0.091 RESID 74 (G): 12.259 ----- -2.022 -2.364 ----- 0.592 RESID 75 (L): 5.272 ----- 0.917 -3.469 0.318 -0.103 RESID 76 (R): 0.272 ----- -0.179 4.053 1.973 -0.378 RESID 77 (D): 8.800 ----- -0.774 -4.820 1.389 1.383 RESID 78 (G): 20.027 ----- -2.271 -2.449 ----- -0.185 RESID 79 (Y): 1.862 ----- -1.400 0.105 2.311 1.035 RESID 80 (Y): 3.619 ----- 0.177 2.862 2.933 0.568 RESID 81 (I): -0.730 ----- 1.468 4.100 2.973 0.936 RESID 82 (Q): -0.989 ----- -0.789 3.302 3.777 -0.743 RESID 83 (A): -9.778 ----- -1.053 2.316 -2.674 -1.100 RESID 84 (Q): -0.278 ----- 1.076 3.535 3.890 -0.338 RESID 85 (C): 8.817 ----- 3.888 9.419 7.886 0.562 RESID 86 (A): -7.667 ----- ----- 6.934 -1.128 -1.838 RESID 87 (I): -0.201 ----- -0.724 1.074 -1.276 -0.329 RESID 88 (I): -6.922 ----- -0.721 4.366 -2.467 -3.430 RESID 89 (M): -7.230 ----- 4.354 5.137 -0.978 -0.355 RESID 90 (F): 0.919 ----- 2.310 5.078 -3.523 0.569 RESID 91 (D): -1.137 ----- -0.435 8.041 1.333 -1.279 RESID 92 (V): -8.562 ----- -3.302 -0.497 6.235 -0.767 RESID 93 (T): 16.938 ----- 4.152 1.096 5.075 -0.601 RESID 94 (S): 5.803 ----- -11.005 4.347 -1.959 -0.215 RESID 95 (R): -15.579 ----- -1.637 -6.232 1.120 -0.979 RESID 96 (V): 5.420 ----- 0.250 2.169 -7.245 1.077 RESID 97 (T): -4.395 ----- 1.784 -2.502 1.416 0.291 RESID 98 (Y): -8.139 ----- -1.387 ----- ----- -0.217 RESID 99 (K): 4.940 ----- -0.190 -0.739 4.076 0.305 RESID 100 (N): -4.274 ----- -0.765 -1.727 -1.131 -1.984 RESID 101 (V): -2.751 ----- -1.370 -5.681 -2.192 -0.142 RESID 102 (P): ----- ----- -0.620 -2.851 -0.213 ----- RESID 103 (N): 7.843 ----- -1.760 -0.370 1.566 0.566 RESID 104 (W): 2.612 ----- -3.494 -1.205 5.231 0.137 RESID 105 (H): 3.987 ----- 3.290 ----- ----- -1.466 RESID 106 (R): 4.255 ----- -0.043 5.301 -1.982 -0.328 RESID 107 (D): -3.208 ----- -2.127 -2.421 0.965 1.196 RESID 108 (L): -6.939 ----- -1.995 1.173 7.457 -1.175 RESID 109 (V): 2.435 ----- -3.201 -2.380 1.740 0.979 RESID 110 (R): -6.829 ----- -2.160 -2.009 0.483 -0.561 RESID 111 (V): -2.373 ----- 0.408 -5.987 0.315 -0.180 RESID 112 (C): -1.130 ----- -4.920 -0.747 7.334 -0.815 RESID 113 (E): -1.539 ----- 1.431 10.942 2.049 -1.109 RESID 114 (N): 7.859 ----- 0.466 -0.337 1.817 0.553 RESID 115 (I): -10.717 ----- 1.659 7.769 -0.778 1.339 RESID 116 (P): ----- ----- 0.258 -0.083 -2.849 ----- RESID 117 (I): -0.246 ----- -0.268 6.026 -3.483 -0.764 RESID 118 (V): -6.769 ----- 3.568 2.080 -2.880 0.030 RESID 119 (L): -7.540 ----- 1.981 -10.937 -4.889 -1.455 RESID 120 (C): -9.340 ----- 3.789 ----- ----- -0.762 RESID 121 (G): 3.770 ----- 4.032 -2.549 ----- -1.398 RESID 122 (N): 1.511 ----- -0.087 0.502 -1.543 0.564 RESID 123 (K): 8.021 ----- -4.066 0.587 5.837 -0.640 RESID 124 (V): 10.894 ----- -0.638 0.232 11.153 0.961 RESID 125 (D): 0.013 ----- -0.441 -0.452 -0.148 -0.308 RESID 126 (I): -4.731 ----- 0.805 4.703 0.790 0.098 RESID 127 (K): -3.242 ----- -1.435 0.145 3.227 -0.204 RESID 128 (D): -1.293 ----- 1.614 0.351 0.746 -0.853 RESID 129 (R): -4.879 ----- 1.443 -10.243 -0.134 0.503 RESID 130 (K): -15.542 ----- -0.096 -2.467 2.803 -1.046 RESID 131 (V): -11.565 ----- 4.241 4.131 4.460 1.046 RESID 132 (K): -17.194 ----- -1.251 3.927 1.022 1.548 RESID 133 (A): 7.340 ----- ----- -3.983 -5.465 -2.452 RESID 134 (K): -0.368 ----- -1.893 -3.063 22.281 -1.687 RESID 135 (S): -5.389 ----- -1.340 -3.503 0.885 0.041 RESID 136 (I): 2.367 ----- -0.748 5.673 5.550 0.713 RESID 137 (V): -11.246 ----- 0.638 2.226 1.728 -0.571 RESID 138 (F): -5.093 ----- -0.911 -4.649 0.122 0.660 RESID 139 (H): 4.188 ----- -1.132 8.365 6.871 -0.857 RESID 140 (R): -0.132 ----- -1.210 -0.932 9.972 1.108 RESID 141 (K): -4.574 ----- -4.570 -0.618 1.197 -0.104 RESID 142 (K): -1.919 ----- -0.029 -3.847 2.885 1.225 RESID 143 (N): -4.521 ----- 1.118 -0.404 2.767 -0.273 RESID 144 (L): 2.268 ----- ----- 0.674 -1.677 -0.271 RESID 145 (Q): 1.606 ----- 2.621 1.631 -0.769 -0.960 RESID 146 (Y): -5.547 ----- 0.468 6.662 0.694 1.146 RESID 147 (Y): -2.184 ----- 3.923 1.877 -1.967 -0.306 RESID 148 (D): -2.435 ----- 1.590 0.187 -0.529 0.571 RESID 149 (I): 0.912 ----- 0.404 1.891 -3.266 0.069 RESID 150 (S): 0.351 ----- 1.196 5.022 -3.183 -0.031 RESID 151 (A): 0.298 ----- -18.584 -1.258 3.436 1.651 RESID 152 (K): 2.750 ----- -3.796 1.263 2.254 0.705 RESID 153 (S): 24.442 ----- 2.329 4.039 2.128 1.114 RESID 154 (N): 2.611 ----- 2.018 -4.841 2.795 -0.599 RESID 155 (Y): -2.688 ----- 1.870 1.191 2.640 0.447 RESID 156 (N): 1.183 ----- 0.531 -1.119 2.191 -0.707 RESID 157 (F): 4.051 ----- -1.744 -3.611 0.129 -0.211 RESID 158 (E): -3.072 ----- -0.697 14.963 -1.543 -1.185 RESID 159 (K): -6.994 ----- 0.848 -7.435 3.358 -0.433 RESID 160 (P): ----- ----- -2.252 -1.370 1.209 ----- RESID 161 (F): 7.689 ----- -0.702 -1.454 3.227 0.968 RESID 162 (L): -8.993 ----- -2.430 -2.214 2.530 -0.467 RESID 163 (W): 2.174 ----- -0.873 -0.619 -0.741 -0.715 RESID 164 (L): 0.709 ----- -3.199 3.186 4.449 1.370 RESID 165 (A): -3.453 ----- -13.827 -3.026 3.611 -0.633 RESID 166 (R): 4.605 ----- -2.859 -9.859 -0.719 0.575 RESID 167 (K): -7.551 ----- -2.895 -0.401 3.219 -0.585 RESID 168 (L): -4.478 ----- -1.255 -0.609 0.119 -0.470 RESID 169 (I): 4.873 ----- 0.334 0.120 3.704 0.242 RESID 170 (G): 6.395 ----- -11.452 -0.828 ----- -1.281 RESID 171 (D): -8.432 ----- 3.303 0.011 -0.716 -0.860 RESID 172 (P): ----- ----- -0.506 -0.220 -0.520 ----- RESID 173 (N): -6.521 ----- 1.260 1.533 -2.507 -0.353 RESID 174 (L): -13.881 ----- 0.850 0.319 1.262 0.617 RESID 175 (E): -0.063 ----- 2.529 22.182 -5.096 0.942 RESID 176 (F): 13.725 ----- 2.743 0.946 4.392 1.406 RESID 177 (V): -5.478 ----- 3.133 3.617 0.751 -0.179 RESID 178 (A): -2.649 ----- 0.055 -0.796 -3.915 -0.549 RESID 179 (M): 4.513 ----- 3.731 7.489 6.179 -0.101 RESID 180 (P): ----- ----- 2.037 2.434 -2.854 ----- RESID 181 (A): 4.994 ----- -1.154 5.920 1.770 0.510 RESID 182 (L): -0.237 ----- 0.434 1.010 -0.301 0.492 RESID 183 (A): -5.642 ----- 2.958 7.748 5.462 0.126 RESID 184 (P): ----- ----- 2.140 2.350 -1.730 ----- RESID 185 (P): ----- ----- -1.068 1.005 2.882 ----- RESID 186 (E): -1.346 ----- -0.118 0.270 5.724 -0.233 RESID 187 (V): 5.965 ----- 3.713 0.522 2.903 0.346 RESID 188 (V): 6.623 ----- 1.879 7.130 -2.046 0.415 RESID 189 (M): 2.491 ----- 1.264 -1.793 3.938 -1.446 RESID 190 (D): -2.969 ----- 0.448 -3.376 2.127 -1.443 RESID 191 (P): ----- ----- -1.872 -0.889 -0.798 ----- RESID 192 (A): -12.650 ----- ----- -0.389 1.190 -0.849 RESID 193 (L): 0.657 ----- -0.583 1.278 1.291 0.539 RESID 194 (A): 1.582 ----- -11.256 2.222 -2.627 0.844 RESID 195 (A): -2.069 ----- -4.962 3.391 2.367 -0.517 RESID 196 (Q): -12.061 ----- -1.180 -1.346 1.416 0.129 RESID 197 (Y): 0.910 ----- -0.198 -5.304 5.794 0.084 RESID 198 (E): -9.082 ----- -2.715 -6.060 1.366 -0.657 RESID 199 (H): -0.582 ----- 1.743 -0.683 5.172 0.609 RESID 200 (D): 4.671 ----- -2.243 1.374 -0.778 -0.230 RESID 201 (L): -3.885 ----- -0.081 3.390 -0.714 -0.434 RESID 202 (E): -1.636 ----- -2.715 -2.530 1.001 0.972 RESID 203 (V): 9.507 ----- 0.795 -1.939 -3.479 1.543 RESID 204 (A): -12.386 ----- -2.578 -0.434 0.041 0.470 RESID 205 (Q): 7.000 ----- -0.761 -0.970 4.728 0.135 RESID 206 (T): 6.482 ----- 0.828 2.833 1.278 -0.176 RESID 207 (T): -6.710 ----- 2.470 1.163 3.176 -0.131 RESID 208 (A): -12.880 ----- -8.327 3.091 2.872 -0.850 RESID 209 (L): -6.350 ----- 1.017 5.901 3.862 -0.541 RESID 210 (P): ----- ----- 1.167 0.917 -1.497 ----- RESID 211 (D): 2.330 ----- 0.218 1.816 0.274 0.013 RESID 212 (E): 6.073 ----- -0.166 -2.465 -0.683 -0.263 RESID 213 (D): 6.931 ----- -0.249 8.299 8.178 -0.269 RESID 214 (D): -9.399 ----- 1.656 -2.232 -1.004 -0.651 RESID 215 (D): 8.404 ----- -0.192 -1.298 -0.401 0.125 DATA CS_STAT_INFO N RMS: 7.723 ppm Count: 201 Average Difference: 0.612 +/- 7.718 ppm DATA CS_STAT_INFO HA RMS: 0.491 ppm Count: 28 Average Difference: -0.340 +/- 0.360 ppm DATA CS_STAT_INFO C RMS: 3.502 ppm Count: 209 Average Difference: 0.137 +/- 3.508 ppm DATA CS_STAT_INFO CA RMS: 4.634 ppm Count: 210 Average Difference: -0.679 +/- 4.595 ppm DATA CS_STAT_INFO CB RMS: 4.047 ppm Count: 194 Average Difference: -0.985 +/- 3.935 ppm DATA CS_STAT_INFO HN RMS: 0.942 ppm Count: 201 Average Difference: 0.106 +/- 0.939 ppm