REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1c1o_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQV DATA SEQUENCE RLXGEDNINV VEGNEQFISA SKSIVHPSYN SNTLNNDIML IKLKSAASLN DATA SEQUENCE SRVASISLPT XScASXAGTQ cLISGWGNTK SSGTSYPDVL KcLKAPILSD DATA SEQUENCE SScKSAYPGQ ITSNMFcAYL EGKDScQGDS GGPVVcSGKX XXXLQGIVSW DATA SEQUENCE GSXGcQKNKP GVYTKVcNYV SWIKQTIASN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 16 I HA 0.000 4.173 4.170 0.006 0.000 0.288 16 I C 0.000 176.095 176.117 -0.036 0.000 1.063 16 I CA 0.000 61.283 61.300 -0.029 0.000 1.566 16 I CB 0.000 37.956 38.000 -0.074 0.000 1.214 17 V N 5.447 125.355 119.914 -0.011 0.000 2.435 17 V HA 0.248 4.351 4.120 -0.029 0.000 0.290 17 V C 0.547 176.638 176.094 -0.005 0.000 1.030 17 V CA -1.661 60.631 62.300 -0.013 0.000 0.881 17 V CB 1.106 32.928 31.823 -0.002 0.000 0.983 17 V HN 0.855 9.053 8.190 0.013 0.000 0.445 18 G N 6.715 115.507 108.800 -0.013 0.000 2.176 18 G HA2 -0.400 3.551 3.960 -0.014 0.000 0.252 18 G HA3 -0.400 3.684 3.960 -0.030 -0.142 0.252 18 G C -0.660 174.246 174.900 0.009 0.000 1.024 18 G CA 0.505 45.596 45.100 -0.014 0.000 0.755 18 G HN 0.806 9.085 8.290 -0.018 0.000 0.507 19 G N -1.394 107.412 108.800 0.010 0.000 2.795 19 G HA2 0.581 4.612 3.960 0.117 0.000 0.267 19 G HA3 0.581 4.605 3.960 -0.066 -0.103 0.267 19 G C -1.810 173.141 174.900 0.085 0.000 1.362 19 G CA -1.150 43.968 45.100 0.030 0.000 1.048 19 G HN -0.662 7.593 8.290 -0.012 0.028 0.547 20 Y N -6.004 114.273 120.300 -0.039 0.000 2.634 20 Y HA 0.426 4.955 4.550 -0.035 0.000 0.340 20 Y C -1.787 174.083 175.900 -0.050 0.000 1.058 20 Y CA -2.844 55.232 58.100 -0.039 0.000 1.081 20 Y CB 1.468 39.909 38.460 -0.033 0.000 1.295 20 Y HN 0.422 8.456 8.280 -0.410 0.000 0.487 21 T N 2.782 117.376 114.554 0.068 0.000 2.779 21 T HA 0.009 4.426 4.350 -0.125 -0.142 0.296 21 T C 0.259 174.967 174.700 0.013 0.000 0.938 21 T CA 1.682 63.767 62.100 -0.025 0.000 1.119 21 T CB -0.074 68.812 68.868 0.029 0.000 0.891 21 T HN 0.196 8.538 8.240 0.170 0.000 0.526 22 c N 5.948 124.454 118.600 -0.157 0.000 2.436 22 c HA -0.112 4.418 4.570 -0.066 0.000 0.277 22 c C -0.154 173.949 174.090 0.021 0.000 1.241 22 c CA 1.425 57.692 56.329 -0.103 0.000 1.721 22 c CB -0.337 42.046 42.510 -0.212 0.000 2.043 22 c HN 0.476 8.567 8.230 -0.232 0.000 0.472 23 G N -3.447 105.346 108.800 -0.012 0.000 2.697 23 G HA2 -0.199 3.773 3.960 0.019 0.000 0.684 23 G HA3 -0.199 3.777 3.960 0.026 0.000 0.684 23 G C -2.067 172.827 174.900 -0.010 0.000 1.274 23 G CA -0.923 44.184 45.100 0.011 0.000 0.806 23 G HN -0.597 7.664 8.290 -0.049 0.000 0.644 24 A N 3.189 126.012 122.820 0.006 0.000 2.548 24 A HA -0.212 4.339 4.320 0.017 -0.220 0.247 24 A C -0.301 177.283 177.584 -0.000 0.000 1.067 24 A CA 0.997 53.041 52.037 0.012 0.000 0.757 24 A CB 0.021 19.035 19.000 0.024 0.000 0.996 24 A HN 0.306 8.464 8.150 0.014 0.000 0.504 25 N N -2.316 116.381 118.700 -0.006 0.000 2.708 25 N HA -0.405 4.317 4.740 -0.030 0.000 0.249 25 N C 0.088 175.572 175.510 -0.044 0.000 1.097 25 N CA 1.561 54.597 53.050 -0.022 0.000 0.710 25 N CB -1.227 37.260 38.487 -0.001 0.000 1.032 25 N HN 0.533 8.916 8.380 0.006 0.000 0.551 26 T N -1.299 113.219 114.554 -0.060 0.000 3.081 26 T HA -0.009 4.326 4.350 -0.024 0.000 0.250 26 T C -0.897 173.740 174.700 -0.104 0.000 1.100 26 T CA 0.910 62.981 62.100 -0.048 0.000 1.038 26 T CB 0.430 69.287 68.868 -0.019 0.000 0.962 26 T HN -0.675 7.501 8.240 -0.067 0.024 0.516 27 V N 1.688 121.476 119.914 -0.210 0.000 2.320 27 V HA 0.360 4.189 4.120 -0.486 0.000 0.257 27 V C -1.469 174.300 176.094 -0.542 0.000 0.996 27 V CA -3.864 58.148 62.300 -0.480 0.000 0.928 27 V CB 0.458 31.983 31.823 -0.496 0.000 1.169 27 V HN -0.335 7.678 8.190 -0.179 0.069 0.475 28 P HA 0.020 4.481 4.420 -0.100 -0.101 0.225 28 P C 0.176 177.415 177.300 -0.102 0.000 1.148 28 P CA 1.677 64.694 63.100 -0.138 0.000 0.779 28 P CB 0.106 31.797 31.700 -0.014 0.000 0.780 29 Y N -5.775 114.550 120.300 0.042 0.000 2.466 29 Y HA 0.517 5.267 4.550 0.058 -0.165 0.272 29 Y C -0.694 175.246 175.900 0.067 0.000 1.169 29 Y CA -3.618 54.514 58.100 0.053 0.000 1.285 29 Y CB -1.588 36.899 38.460 0.045 0.000 1.078 29 Y HN -0.420 7.279 8.280 -0.882 0.052 0.523 30 Q N 2.642 122.333 119.800 -0.181 0.000 2.288 30 Q HA 0.257 4.794 4.340 0.111 -0.130 0.258 30 Q C -0.339 175.757 176.000 0.160 0.000 0.957 30 Q CA -0.262 55.537 55.803 -0.007 0.000 0.919 30 Q CB 1.281 29.907 28.738 -0.187 0.000 1.185 30 Q HN -0.550 7.292 8.270 -0.417 0.178 0.408 31 V N 1.576 121.623 119.914 0.221 0.000 2.919 31 V HA 0.766 5.131 4.120 0.204 -0.123 0.316 31 V C -1.820 174.443 176.094 0.281 0.000 1.077 31 V CA -2.805 59.622 62.300 0.211 0.000 0.977 31 V CB 3.928 35.825 31.823 0.123 0.000 1.039 31 V HN 0.362 8.678 8.190 0.211 0.000 0.441 32 S N 1.942 117.710 115.700 0.113 0.000 2.519 32 S HA 0.406 5.114 4.470 0.206 -0.114 0.309 32 S C -1.303 173.197 174.600 -0.166 0.000 1.100 32 S CA -1.947 56.251 58.200 -0.004 0.000 1.059 32 S CB 1.523 64.481 63.200 -0.403 0.000 1.008 32 S HN -0.023 8.319 8.310 0.053 0.000 0.478 33 L N 6.594 127.591 121.223 -0.376 0.000 2.289 33 L HA 0.498 4.774 4.340 -0.312 -0.123 0.285 33 L C -1.431 175.051 176.870 -0.646 0.000 1.049 33 L CA -0.747 53.755 54.840 -0.564 0.000 0.804 33 L CB 1.032 42.525 42.059 -0.943 0.000 1.195 33 L HN 0.987 8.844 8.230 -0.445 0.106 0.428 38 G N -0.004 108.539 108.800 -0.430 0.000 2.201 38 G HA2 -0.245 3.630 3.960 -0.142 0.000 0.212 38 G HA3 -0.245 3.654 3.960 -0.102 0.000 0.212 38 G C -1.725 173.134 174.900 -0.068 0.000 0.994 38 G CA 0.190 45.165 45.100 -0.207 0.000 0.644 38 G HN 0.253 8.601 8.290 -0.354 -0.271 0.508 39 Y N -7.162 113.115 120.300 -0.039 0.000 2.662 39 Y HA 0.212 4.726 4.550 -0.060 0.000 0.334 39 Y C -2.480 173.433 175.900 0.022 0.000 1.185 39 Y CA -3.376 54.707 58.100 -0.029 0.000 1.074 39 Y CB 0.802 39.246 38.460 -0.027 0.000 1.330 39 Y HN -1.260 6.590 8.280 -0.783 -0.040 0.458 40 H N 2.678 121.759 119.070 0.018 0.000 2.848 40 H HA 0.086 4.700 4.556 -0.234 -0.199 0.317 40 H C -0.336 175.083 175.328 0.152 0.000 1.046 40 H CA -0.297 55.696 56.048 -0.091 0.000 1.470 40 H CB 0.341 29.987 29.762 -0.194 0.000 1.483 40 H HN 0.300 8.706 8.280 0.209 0.000 0.548 41 F N 2.528 122.176 119.950 -0.503 0.000 2.834 41 F HA 0.325 4.807 4.527 -0.076 0.000 0.332 41 F C -1.531 174.039 175.800 -0.385 0.000 1.056 41 F CA -0.744 57.102 58.000 -0.257 0.000 1.178 41 F CB 1.563 40.529 39.000 -0.057 0.000 1.037 41 F HN 0.068 7.789 8.300 -0.965 0.000 0.580 42 c N -1.669 116.221 118.600 -1.184 0.000 3.321 42 c HA 0.345 4.817 4.570 -0.242 -0.047 0.329 42 c C -1.663 172.192 174.090 -0.391 0.000 1.394 42 c CA -0.227 55.753 56.329 -0.582 0.000 1.291 42 c CB 4.039 46.294 42.510 -0.425 0.000 1.606 42 c HN -0.821 6.419 8.230 -1.650 0.000 0.463 43 G N -0.917 107.873 108.800 -0.018 0.000 2.601 43 G HA2 0.810 5.098 3.960 0.273 0.000 0.317 43 G HA3 0.810 4.925 3.960 0.258 0.000 0.317 43 G C -2.499 172.438 174.900 0.061 0.000 1.246 43 G CA -1.630 43.573 45.100 0.172 0.000 1.012 43 G HN 0.825 9.115 8.290 0.000 0.000 0.494 44 G N -3.885 104.987 108.800 0.120 0.000 2.495 44 G HA2 0.535 4.814 3.960 0.090 0.000 0.294 44 G HA3 0.535 4.537 3.960 0.071 0.000 0.294 44 G C -2.923 172.071 174.900 0.156 0.000 1.397 44 G CA 0.323 45.483 45.100 0.102 0.000 0.790 44 G HN -0.568 7.832 8.290 0.184 0.000 0.486 45 S N -0.721 115.074 115.700 0.158 0.000 2.521 45 S HA 0.895 5.735 4.470 0.275 -0.205 0.295 45 S C -1.425 173.280 174.600 0.176 0.000 1.098 45 S CA -0.966 57.357 58.200 0.206 0.000 0.999 45 S CB 3.956 67.258 63.200 0.170 0.000 1.034 45 S HN 0.293 8.683 8.310 0.134 0.000 0.483 46 L N 5.573 126.916 121.223 0.199 0.000 2.281 46 L HA 0.288 4.835 4.340 0.151 -0.116 0.285 46 L C -0.556 176.399 176.870 0.142 0.000 1.074 46 L CA -0.555 54.383 54.840 0.162 0.000 0.817 46 L CB 1.272 43.425 42.059 0.157 0.000 1.168 46 L HN 0.271 8.658 8.230 0.262 0.000 0.434 47 I N 0.333 120.984 120.570 0.135 0.000 3.645 47 I HA 0.380 4.746 4.170 0.067 -0.156 0.300 47 I C -0.736 175.440 176.117 0.098 0.000 1.260 47 I CA -0.152 61.205 61.300 0.095 0.000 1.365 47 I CB 0.671 38.717 38.000 0.078 0.000 1.077 47 I HN 0.355 8.663 8.210 0.164 0.000 0.439 48 N N -3.186 115.595 118.700 0.134 0.000 3.355 48 N HA 0.107 4.903 4.740 0.093 0.000 0.238 48 N C -0.429 175.156 175.510 0.125 0.000 1.466 48 N CA -0.324 52.799 53.050 0.122 0.000 0.882 48 N CB 1.176 39.741 38.487 0.130 0.000 1.406 48 N HN -0.950 7.526 8.380 0.159 0.000 0.500 49 S N -1.489 114.268 115.700 0.095 0.000 2.420 49 S HA -0.388 4.116 4.470 0.056 0.000 0.237 49 S C 1.012 175.635 174.600 0.038 0.000 1.023 49 S CA 2.796 61.034 58.200 0.063 0.000 0.991 49 S CB 0.000 63.227 63.200 0.045 0.000 0.792 49 S HN 0.488 8.850 8.310 0.087 0.000 0.488 50 Q N -2.365 117.468 119.800 0.056 0.000 2.281 50 Q HA 0.209 4.468 4.340 -0.135 0.000 0.215 50 Q C -1.006 174.828 176.000 -0.276 0.000 0.867 50 Q CA 0.313 56.050 55.803 -0.110 0.000 0.940 50 Q CB 1.083 29.735 28.738 -0.144 0.000 1.111 50 Q HN 0.068 8.386 8.270 0.137 0.034 0.513 51 W N -2.490 118.816 121.300 0.010 0.000 2.936 51 W HA 0.594 5.440 4.660 0.009 -0.180 0.338 51 W C -1.526 175.007 176.519 0.023 0.000 1.121 51 W CA -0.861 56.489 57.345 0.009 0.000 1.209 51 W CB 3.848 33.301 29.460 -0.012 0.000 1.420 51 W HN -0.519 7.806 8.180 0.241 0.000 0.516 52 V N 1.241 121.326 119.914 0.285 0.000 2.735 52 V HA 0.864 5.282 4.120 0.178 -0.192 0.310 52 V C -1.514 174.702 176.094 0.204 0.000 1.061 52 V CA -1.839 60.577 62.300 0.192 0.000 0.913 52 V CB 3.892 35.785 31.823 0.117 0.000 1.005 52 V HN 0.773 9.158 8.190 0.324 0.000 0.428 53 V N 1.645 121.653 119.914 0.157 0.000 2.628 53 V HA 1.056 5.458 4.120 0.165 -0.183 0.306 53 V C -1.638 174.522 176.094 0.109 0.000 1.045 53 V CA -2.876 59.509 62.300 0.142 0.000 0.905 53 V CB 2.493 34.391 31.823 0.124 0.000 0.997 53 V HN 0.412 8.688 8.190 0.145 0.000 0.436 54 S N 4.074 119.827 115.700 0.088 0.000 2.973 54 S HA 0.541 5.227 4.470 0.051 -0.186 0.317 54 S C -1.858 172.744 174.600 0.003 0.000 1.196 54 S CA -2.289 55.935 58.200 0.041 0.000 0.894 54 S CB 2.273 65.482 63.200 0.016 0.000 1.292 54 S HN 0.482 8.854 8.310 0.103 0.000 0.614 55 A N -0.535 122.247 122.820 -0.063 0.000 2.306 55 A HA 0.477 4.903 4.320 -0.078 -0.153 0.314 55 A C 0.488 177.956 177.584 -0.192 0.000 1.164 55 A CA -1.636 50.326 52.037 -0.124 0.000 0.822 55 A CB 1.481 20.364 19.000 -0.195 0.000 1.130 55 A HN 0.307 8.408 8.150 -0.082 0.000 0.496 56 A N 5.212 127.865 122.820 -0.278 0.000 2.019 56 A HA -0.249 3.934 4.320 -0.228 0.000 0.219 56 A C 1.317 178.672 177.584 -0.381 0.000 1.164 56 A CA 2.773 54.538 52.037 -0.454 0.000 0.644 56 A CB -0.392 17.980 19.000 -1.047 0.000 0.805 56 A HN 0.636 8.649 8.150 -0.262 -0.020 0.449 57 H N -4.607 114.303 119.070 -0.266 0.000 2.563 57 H HA -0.068 4.514 4.556 0.043 0.000 0.272 57 H C 0.169 175.548 175.328 0.086 0.000 1.005 57 H CA 1.447 57.495 56.048 -0.000 0.000 1.171 57 H CB -1.200 28.632 29.762 0.117 0.000 1.351 57 H HN 0.062 8.508 8.280 -0.185 -0.277 0.602 58 c N -1.619 116.862 118.600 -0.199 0.000 2.697 58 c HA 0.019 4.641 4.570 0.086 0.000 0.267 58 c C 0.372 174.541 174.090 0.132 0.000 1.278 58 c CA -0.025 56.308 56.329 0.007 0.000 1.708 58 c CB -1.680 40.813 42.510 -0.028 0.000 1.860 58 c HN -0.132 7.740 8.230 -0.270 0.196 0.589 59 Y N 2.679 122.974 120.300 -0.008 0.000 2.810 59 Y HA -0.311 4.256 4.550 0.029 0.000 0.332 59 Y C -0.805 175.073 175.900 -0.037 0.000 1.243 59 Y CA 1.916 60.017 58.100 0.000 0.000 1.537 59 Y CB 0.385 38.833 38.460 -0.020 0.000 1.265 59 Y HN -0.455 7.705 8.280 0.127 0.196 0.572 60 K N 6.698 126.471 120.400 -1.045 0.000 2.575 60 K HA 0.220 4.001 4.320 -0.898 0.000 0.279 60 K C -2.273 173.824 176.600 -0.838 0.000 0.969 60 K CA -1.664 54.081 56.287 -0.905 0.000 0.868 60 K CB 4.065 36.152 32.500 -0.687 0.000 1.457 60 K HN 0.067 7.799 8.250 -0.862 0.000 0.426 61 S N 0.253 115.628 115.700 -0.542 0.000 2.578 61 S HA 0.125 4.466 4.470 -0.215 0.000 0.283 61 S C 0.751 175.231 174.600 -0.201 0.000 1.195 61 S CA -0.483 57.558 58.200 -0.266 0.000 1.050 61 S CB 0.589 63.716 63.200 -0.123 0.000 1.012 61 S HN -0.022 8.004 8.310 -0.473 0.000 0.511 62 G N 3.691 112.416 108.800 -0.126 0.000 2.341 62 G HA2 -0.214 3.697 3.960 -0.081 0.000 0.278 62 G HA3 -0.214 3.672 3.960 -0.123 0.000 0.278 62 G C -1.417 173.417 174.900 -0.110 0.000 1.111 62 G CA -0.032 45.001 45.100 -0.111 0.000 0.982 62 G HN 0.319 8.555 8.290 -0.090 0.000 0.502 63 I N -1.103 119.424 120.570 -0.071 0.000 2.437 63 I HA 0.164 4.464 4.170 0.008 -0.126 0.298 63 I C -2.019 174.072 176.117 -0.043 0.000 0.984 63 I CA -1.253 60.036 61.300 -0.018 0.000 1.214 63 I CB 1.863 39.885 38.000 0.037 0.000 1.365 63 I HN -0.487 7.683 8.210 -0.066 0.000 0.469 64 Q N 5.738 125.500 119.800 -0.063 0.000 2.340 64 Q HA 0.467 4.872 4.340 -0.056 -0.099 0.268 64 Q C -1.846 174.097 176.000 -0.096 0.000 1.031 64 Q CA -1.366 54.387 55.803 -0.083 0.000 0.804 64 Q CB 4.031 32.690 28.738 -0.131 0.000 1.286 64 Q HN 0.217 8.453 8.270 -0.057 0.000 0.448 65 V N 7.051 126.932 119.914 -0.055 0.000 2.407 65 V HA 0.256 4.453 4.120 -0.076 -0.122 0.278 65 V C -1.279 174.822 176.094 0.011 0.000 1.037 65 V CA -0.229 62.049 62.300 -0.038 0.000 0.900 65 V CB 1.093 32.911 31.823 -0.008 0.000 0.983 65 V HN 1.125 9.187 8.190 -0.032 0.109 0.459 66 R N 6.592 127.089 120.500 -0.006 0.000 2.337 66 R HA 0.661 5.375 4.340 0.320 -0.182 0.319 66 R C -0.928 175.450 176.300 0.130 0.000 0.954 66 R CA -1.288 54.881 56.100 0.114 0.000 0.840 66 R CB 1.298 31.545 30.300 -0.088 0.000 1.164 66 R HN 0.548 8.784 8.270 -0.055 0.000 0.472 70 E N -0.749 119.549 120.200 0.165 0.000 2.319 70 E HA 0.141 4.579 4.350 0.147 0.000 0.268 70 E C -1.836 174.947 176.600 0.305 0.000 1.050 70 E CA 0.013 56.537 56.400 0.206 0.000 0.878 70 E CB 1.488 31.272 29.700 0.141 0.000 1.066 70 E HN -0.616 7.815 8.360 0.187 0.041 0.406 71 D N 0.900 121.460 120.400 0.267 0.000 2.957 71 D HA 0.071 4.901 4.640 0.316 0.000 0.175 71 D C -1.099 175.405 176.300 0.341 0.000 1.502 71 D CA 1.003 55.166 54.000 0.271 0.000 1.524 71 D CB 2.461 43.338 40.800 0.128 0.000 1.300 71 D HN 0.090 8.572 8.370 0.187 0.000 0.241 72 N N 1.133 119.943 118.700 0.183 0.000 2.411 72 N HA 0.283 5.288 4.740 0.183 -0.154 0.259 72 N C 1.969 177.501 175.510 0.037 0.000 1.103 72 N CA -0.566 52.563 53.050 0.131 0.000 0.954 72 N CB 0.734 39.270 38.487 0.081 0.000 1.085 72 N HN -0.327 8.436 8.380 0.134 -0.302 0.485 73 I N 0.164 120.678 120.570 -0.093 0.000 3.564 73 I HA 0.011 4.220 4.170 -0.204 -0.161 0.294 73 I C -0.811 175.229 176.117 -0.128 0.000 1.289 73 I CA 0.838 61.988 61.300 -0.251 0.000 1.325 73 I CB -0.934 36.682 38.000 -0.640 0.000 1.039 73 I HN 0.648 8.824 8.210 -0.058 0.000 0.474 74 N N -1.629 117.042 118.700 -0.049 0.000 2.184 74 N HA 0.199 4.920 4.740 -0.032 0.000 0.206 74 N C -1.160 174.357 175.510 0.012 0.000 1.151 74 N CA -0.299 52.740 53.050 -0.019 0.000 0.878 74 N CB 2.233 40.717 38.487 -0.004 0.000 1.014 74 N HN -0.043 8.607 8.380 -0.023 -0.284 0.512 75 V N 0.384 120.314 119.914 0.027 0.000 2.686 75 V HA 0.065 4.207 4.120 0.037 0.000 0.306 75 V C -1.403 174.725 176.094 0.056 0.000 1.065 75 V CA -0.923 61.401 62.300 0.039 0.000 0.894 75 V CB 3.370 35.214 31.823 0.035 0.000 1.004 75 V HN -0.799 7.353 8.190 0.023 0.052 0.424 76 V N 7.783 127.732 119.914 0.057 0.000 2.372 76 V HA -0.167 4.233 4.120 0.076 -0.234 0.261 76 V C 0.318 176.422 176.094 0.017 0.000 1.055 76 V CA 0.449 62.779 62.300 0.050 0.000 0.930 76 V CB -0.408 31.440 31.823 0.042 0.000 1.031 76 V HN 0.347 8.567 8.190 0.049 0.000 0.479 77 E N 9.038 129.248 120.200 0.016 0.000 2.479 77 E HA 0.032 4.388 4.350 0.010 0.000 0.193 77 E C 0.569 177.164 176.600 -0.009 0.000 1.049 77 E CA -0.071 56.334 56.400 0.009 0.000 0.870 77 E CB 0.191 29.905 29.700 0.024 0.000 0.944 77 E HN 0.288 9.074 8.360 0.027 -0.409 0.492 78 G N -1.281 107.499 108.800 -0.033 0.000 2.238 78 G HA2 -0.359 3.563 3.960 -0.063 0.000 0.217 78 G HA3 -0.359 3.581 3.960 -0.032 0.000 0.217 78 G C -0.039 174.826 174.900 -0.058 0.000 0.996 78 G CA 0.365 45.436 45.100 -0.048 0.000 0.632 78 G HN -0.063 8.326 8.290 -0.042 -0.124 0.503 79 N N 0.203 118.875 118.700 -0.046 0.000 2.238 79 N HA 0.089 4.800 4.740 -0.048 0.000 0.222 79 N C -1.731 173.741 175.510 -0.062 0.000 1.133 79 N CA -0.750 52.275 53.050 -0.043 0.000 0.854 79 N CB 0.761 39.242 38.487 -0.010 0.000 1.041 79 N HN 0.319 8.682 8.380 -0.029 0.000 0.510 80 E N -0.178 119.944 120.200 -0.130 0.000 2.283 80 E HA 0.402 4.952 4.350 -0.058 -0.235 0.267 80 E C -0.305 176.108 176.600 -0.312 0.000 1.045 80 E CA -0.559 55.723 56.400 -0.197 0.000 0.884 80 E CB 1.115 30.597 29.700 -0.363 0.000 1.106 80 E HN -0.471 7.728 8.360 -0.149 0.071 0.408 81 Q N 0.334 120.009 119.800 -0.208 0.000 2.285 81 Q HA 0.311 4.503 4.340 -0.247 0.000 0.269 81 Q C -1.488 174.549 176.000 0.061 0.000 1.030 81 Q CA -1.137 54.580 55.803 -0.145 0.000 0.788 81 Q CB 3.334 32.051 28.738 -0.035 0.000 1.266 81 Q HN 0.260 8.501 8.270 -0.048 0.000 0.438 82 F N 3.536 123.468 119.950 -0.030 0.000 2.403 82 F HA 0.878 5.579 4.527 -0.045 -0.202 0.355 82 F C 0.078 175.854 175.800 -0.039 0.000 1.119 82 F CA -1.736 56.240 58.000 -0.040 0.000 1.007 82 F CB 1.840 40.814 39.000 -0.043 0.000 1.194 82 F HN 0.299 8.557 8.300 -0.070 0.000 0.443 83 I N 4.650 125.301 120.570 0.134 0.000 2.545 83 I HA 0.329 4.526 4.170 0.044 0.000 0.292 83 I C -0.949 175.174 176.117 0.010 0.000 1.040 83 I CA -1.371 59.957 61.300 0.047 0.000 1.068 83 I CB 3.885 41.895 38.000 0.018 0.000 1.251 83 I HN 0.937 9.226 8.210 0.131 0.000 0.424 84 S N 6.284 121.978 115.700 -0.009 0.000 2.617 84 S HA 0.184 4.752 4.470 -0.034 -0.119 0.269 84 S C -0.641 173.930 174.600 -0.047 0.000 1.292 84 S CA 0.457 58.639 58.200 -0.030 0.000 1.010 84 S CB 1.052 64.234 63.200 -0.030 0.000 0.944 84 S HN 0.459 8.766 8.310 -0.004 0.000 0.536 85 A N 2.102 124.892 122.820 -0.050 0.000 2.354 85 A HA 0.374 4.778 4.320 -0.089 -0.137 0.269 85 A C -0.449 177.094 177.584 -0.067 0.000 1.109 85 A CA -0.729 51.269 52.037 -0.064 0.000 0.800 85 A CB 0.827 19.805 19.000 -0.036 0.000 1.045 85 A HN -0.178 7.946 8.150 -0.043 0.000 0.489 86 S N 2.562 118.202 115.700 -0.100 0.000 2.475 86 S HA 0.072 4.508 4.470 -0.057 0.000 0.224 86 S C 0.434 175.002 174.600 -0.055 0.000 1.042 86 S CA 1.207 59.358 58.200 -0.082 0.000 0.935 86 S CB 1.334 64.466 63.200 -0.113 0.000 0.801 86 S HN 0.705 8.812 8.310 -0.148 0.115 0.509 87 K N 0.837 121.197 120.400 -0.066 0.000 2.568 87 K HA 0.242 4.582 4.320 0.035 0.000 0.273 87 K C -2.440 174.189 176.600 0.050 0.000 0.951 87 K CA 0.239 56.529 56.287 0.005 0.000 0.854 87 K CB 2.986 35.496 32.500 0.016 0.000 1.424 87 K HN -0.815 7.363 8.250 -0.120 0.000 0.427 88 S N 2.576 118.353 115.700 0.128 0.000 2.526 88 S HA 0.924 5.689 4.470 0.193 -0.179 0.293 88 S C -0.907 173.816 174.600 0.206 0.000 1.092 88 S CA -0.779 57.537 58.200 0.194 0.000 0.980 88 S CB 2.533 65.891 63.200 0.264 0.000 1.048 88 S HN 0.121 8.508 8.310 0.128 0.000 0.483 89 I N 6.844 127.559 120.570 0.241 0.000 2.468 89 I HA 0.193 4.467 4.170 0.172 0.000 0.284 89 I C -1.651 174.622 176.117 0.260 0.000 1.038 89 I CA -0.478 60.966 61.300 0.239 0.000 1.083 89 I CB 2.753 40.925 38.000 0.286 0.000 1.223 89 I HN 1.017 9.389 8.210 0.270 0.000 0.443 90 V N 7.167 127.159 119.914 0.130 0.000 2.686 90 V HA -0.101 4.061 4.120 0.070 0.000 0.295 90 V C -0.305 175.822 176.094 0.054 0.000 1.057 90 V CA -0.910 61.421 62.300 0.052 0.000 1.012 90 V CB 1.054 32.827 31.823 -0.084 0.000 1.006 90 V HN 0.258 8.488 8.190 0.066 0.000 0.477 91 H N 7.764 126.729 119.070 -0.175 0.000 3.064 91 H HA -0.081 3.974 4.556 -0.835 0.000 0.329 91 H C 0.115 175.317 175.328 -0.209 0.000 1.020 91 H CA 0.858 56.620 56.048 -0.477 0.000 1.402 91 H CB 1.647 31.060 29.762 -0.582 0.000 1.379 91 H HN -0.201 8.062 8.280 -0.028 0.000 0.594 92 P HA -0.122 4.232 4.420 -0.111 0.000 0.218 92 P C -0.375 176.879 177.300 -0.077 0.000 1.146 92 P CA 1.736 64.689 63.100 -0.245 0.000 0.813 92 P CB 0.291 31.837 31.700 -0.258 0.000 0.778 93 S N -3.209 112.542 115.700 0.086 0.000 2.602 93 S HA 0.055 4.564 4.470 0.066 0.000 0.240 93 S C -0.864 173.846 174.600 0.183 0.000 0.992 93 S CA -0.370 57.933 58.200 0.171 0.000 0.971 93 S CB 0.778 64.097 63.200 0.198 0.000 0.855 93 S HN -0.436 7.925 8.310 0.142 0.034 0.481 94 Y N 4.998 125.346 120.300 0.079 0.000 2.610 94 Y HA -0.215 4.608 4.550 -0.024 -0.287 0.332 94 Y C -0.823 175.069 175.900 -0.014 0.000 1.201 94 Y CA 1.077 59.179 58.100 0.004 0.000 1.465 94 Y CB 0.725 39.181 38.460 -0.007 0.000 1.283 94 Y HN -0.631 7.665 8.280 0.293 0.160 0.563 95 N N 7.367 125.656 118.700 -0.686 0.000 2.518 95 N HA 0.221 4.679 4.740 -0.471 0.000 0.254 95 N C -0.267 174.669 175.510 -0.957 0.000 0.979 95 N CA -1.185 51.498 53.050 -0.611 0.000 0.930 95 N CB 1.554 39.859 38.487 -0.303 0.000 1.152 95 N HN -0.127 7.937 8.380 -0.527 0.000 0.505 96 S N 6.282 121.444 115.700 -0.897 0.000 2.555 96 S HA -0.110 3.959 4.470 -0.668 0.000 0.230 96 S C 0.865 175.287 174.600 -0.296 0.000 0.978 96 S CA 2.389 60.255 58.200 -0.557 0.000 0.934 96 S CB -0.251 62.836 63.200 -0.188 0.000 0.766 96 S HN 0.707 8.615 8.310 -0.670 0.000 0.533 97 N N 1.145 119.671 118.700 -0.291 0.000 2.336 97 N HA -0.026 4.598 4.740 -0.194 0.000 0.177 97 N C 0.933 176.281 175.510 -0.270 0.000 1.018 97 N CA 2.240 55.156 53.050 -0.224 0.000 0.878 97 N CB 0.848 39.231 38.487 -0.173 0.000 0.997 97 N HN -0.031 8.378 8.380 -0.325 -0.224 0.433 98 T N -3.748 110.635 114.554 -0.285 0.000 3.022 98 T HA 0.082 4.216 4.350 -0.361 0.000 0.250 98 T C 0.126 174.606 174.700 -0.366 0.000 1.060 98 T CA -0.244 61.670 62.100 -0.309 0.000 1.013 98 T CB 1.417 70.163 68.868 -0.203 0.000 0.982 98 T HN -0.611 7.666 8.240 -0.284 -0.207 0.508 99 L N -3.636 117.409 121.223 -0.297 0.000 4.291 99 L HA -0.493 3.931 4.340 0.019 -0.073 0.413 99 L C -1.852 175.033 176.870 0.026 0.000 1.162 99 L CA 0.579 55.353 54.840 -0.110 0.000 0.961 99 L CB -2.747 39.173 42.059 -0.232 0.000 2.095 99 L HN -0.255 7.726 8.230 -0.328 0.052 0.838 100 N N -0.801 117.870 118.700 -0.048 0.000 2.530 100 N HA -0.131 4.659 4.740 0.083 0.000 0.273 100 N C -0.136 175.422 175.510 0.080 0.000 1.173 100 N CA 0.526 53.595 53.050 0.030 0.000 0.967 100 N CB 1.258 39.736 38.487 -0.014 0.000 1.109 100 N HN -0.773 7.476 8.380 -0.152 0.040 0.453 101 N N -0.864 117.881 118.700 0.075 0.000 2.756 101 N HA -0.468 4.197 4.740 -0.125 0.000 0.248 101 N C -1.356 174.126 175.510 -0.047 0.000 1.062 101 N CA 1.357 54.347 53.050 -0.100 0.000 0.696 101 N CB -1.532 36.817 38.487 -0.231 0.000 0.946 101 N HN 0.621 9.067 8.380 0.110 0.000 0.548 102 D N -0.754 119.664 120.400 0.030 0.000 2.608 102 D HA 0.067 4.693 4.640 -0.024 0.000 0.224 102 D C -2.074 174.133 176.300 -0.155 0.000 1.123 102 D CA -0.368 53.646 54.000 0.023 0.000 1.030 102 D CB -0.745 40.175 40.800 0.200 0.000 1.093 102 D HN -0.021 8.382 8.370 0.054 0.000 0.497 103 I N 1.517 121.925 120.570 -0.271 0.000 2.802 103 I HA 0.689 4.950 4.170 -0.122 -0.163 0.298 103 I C -3.038 173.033 176.117 -0.076 0.000 1.176 103 I CA -1.640 59.537 61.300 -0.205 0.000 1.025 103 I CB 3.872 41.633 38.000 -0.398 0.000 1.243 103 I HN -0.203 7.788 8.210 -0.288 0.045 0.424 104 M N 4.490 124.130 119.600 0.066 0.000 2.569 104 M HA 0.810 5.594 4.480 0.291 -0.129 0.279 104 M C -2.796 173.658 176.300 0.256 0.000 1.253 104 M CA -1.065 54.348 55.300 0.189 0.000 0.867 104 M CB 4.818 37.475 32.600 0.096 0.000 1.727 104 M HN 0.442 8.768 8.290 0.060 0.000 0.467 105 L N 0.108 121.521 121.223 0.316 0.000 2.346 105 L HA 0.904 5.591 4.340 0.275 -0.182 0.274 105 L C -1.360 175.720 176.870 0.351 0.000 1.007 105 L CA -1.428 53.600 54.840 0.313 0.000 0.818 105 L CB 3.799 45.998 42.059 0.232 0.000 1.284 105 L HN 0.534 8.979 8.230 0.358 0.000 0.424 106 I N 1.009 121.777 120.570 0.330 0.000 2.466 106 I HA 0.565 4.991 4.170 0.134 -0.175 0.289 106 I C -1.754 174.336 176.117 -0.045 0.000 1.026 106 I CA -1.273 60.116 61.300 0.148 0.000 1.078 106 I CB 3.184 41.239 38.000 0.091 0.000 1.249 106 I HN 0.928 9.355 8.210 0.362 0.000 0.429 107 K N 6.569 126.747 120.400 -0.370 0.000 2.138 107 K HA 0.658 4.414 4.320 -1.207 -0.160 0.263 107 K C -1.125 175.216 176.600 -0.432 0.000 0.965 107 K CA -2.009 53.737 56.287 -0.901 0.000 0.868 107 K CB 3.269 35.031 32.500 -1.231 0.000 1.083 107 K HN 0.789 8.907 8.250 -0.220 0.000 0.443 108 L N 4.600 125.586 121.223 -0.394 0.000 2.350 108 L HA 0.239 4.612 4.340 -0.153 -0.125 0.275 108 L C 1.811 178.565 176.870 -0.194 0.000 1.099 108 L CA -0.138 54.576 54.840 -0.210 0.000 0.808 108 L CB 0.383 42.355 42.059 -0.146 0.000 1.149 108 L HN 0.494 8.408 8.230 -0.526 0.000 0.442 109 K N 2.914 123.240 120.400 -0.124 0.000 2.147 109 K HA -0.276 3.979 4.320 -0.108 0.000 0.205 109 K C 0.058 176.610 176.600 -0.081 0.000 1.049 109 K CA 2.705 58.935 56.287 -0.094 0.000 0.936 109 K CB 0.400 32.864 32.500 -0.060 0.000 0.722 109 K HN 0.545 8.735 8.250 -0.100 0.000 0.446 110 S N -3.868 111.789 115.700 -0.071 0.000 2.570 110 S HA 0.088 4.526 4.470 -0.053 0.000 0.286 110 S C -1.781 172.786 174.600 -0.055 0.000 1.099 110 S CA -1.015 57.154 58.200 -0.053 0.000 0.913 110 S CB 2.139 65.320 63.200 -0.033 0.000 1.085 110 S HN -0.382 7.870 8.310 -0.071 0.015 0.480 111 A N 1.834 124.629 122.820 -0.041 0.000 2.425 111 A HA 0.021 4.460 4.320 -0.042 -0.144 0.249 111 A C -0.560 177.016 177.584 -0.014 0.000 1.084 111 A CA 0.005 52.025 52.037 -0.028 0.000 0.781 111 A CB 0.756 19.748 19.000 -0.012 0.000 1.019 111 A HN 0.218 8.346 8.150 -0.035 0.000 0.490 112 A N 2.736 125.554 122.820 -0.003 0.000 2.313 112 A HA 0.128 4.519 4.320 0.000 -0.071 0.261 112 A C -0.343 177.246 177.584 0.009 0.000 1.090 112 A CA -0.840 51.201 52.037 0.006 0.000 0.807 112 A CB 1.074 20.088 19.000 0.022 0.000 1.055 112 A HN 0.436 8.471 8.150 -0.002 0.113 0.492 113 S N 0.444 116.147 115.700 0.006 0.000 2.420 113 S HA 0.151 4.626 4.470 0.008 0.000 0.313 113 S C -1.050 173.558 174.600 0.013 0.000 1.079 113 S CA -0.794 57.409 58.200 0.006 0.000 1.104 113 S CB -0.038 63.160 63.200 -0.005 0.000 0.969 113 S HN 0.066 8.739 8.310 0.002 -0.362 0.471 114 L N 6.796 128.032 121.223 0.021 0.000 2.349 114 L HA 0.036 4.514 4.340 0.033 -0.118 0.275 114 L C -0.297 176.586 176.870 0.022 0.000 1.115 114 L CA -0.013 54.844 54.840 0.029 0.000 0.820 114 L CB 0.225 42.306 42.059 0.037 0.000 1.135 114 L HN 0.305 8.547 8.230 0.020 0.000 0.445 115 N N 4.191 122.905 118.700 0.023 0.000 3.522 115 N HA 0.222 4.973 4.740 0.017 0.000 0.328 115 N C -1.004 174.519 175.510 0.022 0.000 1.623 115 N CA -0.777 52.284 53.050 0.018 0.000 0.812 115 N CB 0.749 39.241 38.487 0.009 0.000 2.008 115 N HN 0.188 8.585 8.380 0.028 0.000 0.601 116 S N -1.220 114.490 115.700 0.017 0.000 2.382 116 S HA -0.200 4.284 4.470 0.025 0.000 0.228 116 S C 0.642 175.253 174.600 0.018 0.000 1.027 116 S CA 2.752 60.964 58.200 0.019 0.000 0.991 116 S CB 0.056 63.264 63.200 0.014 0.000 0.823 116 S HN 0.144 8.462 8.310 0.013 0.000 0.469 117 R N -1.051 119.457 120.500 0.014 0.000 2.200 117 R HA -0.117 4.226 4.340 0.005 0.000 0.208 117 R C -1.278 175.031 176.300 0.016 0.000 1.033 117 R CA 1.371 57.477 56.100 0.010 0.000 1.000 117 R CB 0.988 31.293 30.300 0.008 0.000 0.906 117 R HN -0.250 8.247 8.270 0.012 -0.219 0.462 118 V N -1.711 118.218 119.914 0.026 0.000 2.409 118 V HA 0.271 4.602 4.120 0.043 -0.185 0.290 118 V C -2.008 174.120 176.094 0.057 0.000 1.017 118 V CA -1.219 61.106 62.300 0.041 0.000 0.841 118 V CB 2.053 33.897 31.823 0.036 0.000 1.003 118 V HN -0.606 7.665 8.190 0.024 -0.066 0.426 119 A N 6.962 129.833 122.820 0.084 0.000 2.515 119 A HA 0.490 4.860 4.320 0.082 0.000 0.296 119 A C -2.327 175.347 177.584 0.150 0.000 1.094 119 A CA -1.283 50.817 52.037 0.105 0.000 0.718 119 A CB 3.193 22.259 19.000 0.109 0.000 1.307 119 A HN 0.134 8.220 8.150 0.090 0.118 0.408 120 S N -1.577 114.199 115.700 0.125 0.000 2.713 120 S HA 0.675 5.375 4.470 0.161 -0.133 0.283 120 S C -0.801 173.858 174.600 0.099 0.000 1.161 120 S CA -0.910 57.366 58.200 0.126 0.000 0.999 120 S CB 2.121 65.374 63.200 0.089 0.000 1.039 120 S HN -0.016 8.352 8.310 0.097 0.000 0.548 121 I N 0.468 121.054 120.570 0.027 0.000 2.603 121 I HA 0.250 4.358 4.170 -0.105 0.000 0.300 121 I C -1.658 174.414 176.117 -0.076 0.000 1.017 121 I CA -1.653 59.570 61.300 -0.129 0.000 1.098 121 I CB 3.937 41.655 38.000 -0.469 0.000 1.279 121 I HN 0.430 8.669 8.210 0.048 0.000 0.437 122 S N 6.578 122.230 115.700 -0.080 0.000 2.580 122 S HA 0.213 4.668 4.470 -0.025 0.000 0.274 122 S C -0.766 173.807 174.600 -0.045 0.000 1.329 122 S CA -0.348 57.825 58.200 -0.045 0.000 1.036 122 S CB 0.695 63.873 63.200 -0.036 0.000 0.919 122 S HN 0.306 8.555 8.310 -0.102 0.000 0.515 123 L N 2.141 123.350 121.223 -0.023 0.000 2.399 123 L HA 0.185 4.522 4.340 -0.005 0.000 0.266 123 L C -1.232 175.632 176.870 -0.009 0.000 1.114 123 L CA -2.309 52.526 54.840 -0.007 0.000 0.804 123 L CB 0.343 42.404 42.059 0.005 0.000 1.146 123 L HN 0.180 8.400 8.230 -0.018 0.000 0.451 124 P HA 0.133 4.541 4.420 -0.020 0.000 0.277 124 P C -1.104 176.194 177.300 -0.004 0.000 1.240 124 P CA -0.544 62.551 63.100 -0.008 0.000 0.798 124 P CB 0.488 32.184 31.700 -0.007 0.000 0.979 128 c N 0.798 119.373 118.600 -0.042 0.000 2.595 128 c HA 0.074 4.604 4.570 -0.067 0.000 0.384 128 c C 0.193 174.224 174.090 -0.098 0.000 1.289 128 c CA -0.309 55.979 56.329 -0.068 0.000 2.372 128 c CB 0.358 42.832 42.510 -0.059 0.000 2.593 128 c HN -0.038 8.170 8.230 -0.036 0.000 0.639 129 A N 2.215 124.941 122.820 -0.157 0.000 2.293 129 A HA 0.057 4.305 4.320 -0.121 0.000 0.302 129 A C -1.027 176.455 177.584 -0.170 0.000 1.119 129 A CA -0.214 51.722 52.037 -0.168 0.000 0.823 129 A CB 0.839 19.704 19.000 -0.225 0.000 1.097 129 A HN 0.151 8.182 8.150 -0.198 0.000 0.491 133 G N 0.722 109.482 108.800 -0.066 0.000 2.284 133 G HA2 -0.270 3.657 3.960 -0.054 0.000 0.230 133 G HA3 -0.270 3.662 3.960 -0.046 0.000 0.230 133 G C 0.014 174.876 174.900 -0.063 0.000 1.021 133 G CA -0.142 44.925 45.100 -0.056 0.000 0.619 133 G HN 0.651 8.783 8.290 -0.071 0.115 0.510 134 T N 4.568 119.074 114.554 -0.079 0.000 2.888 134 T HA -0.129 4.186 4.350 -0.059 0.000 0.301 134 T C -0.573 174.082 174.700 -0.075 0.000 1.001 134 T CA 2.137 64.190 62.100 -0.078 0.000 1.147 134 T CB 0.422 69.229 68.868 -0.103 0.000 0.931 134 T HN -0.320 7.783 8.240 -0.093 0.081 0.541 135 Q N 4.910 124.681 119.800 -0.049 0.000 2.261 135 Q HA 0.055 4.489 4.340 -0.042 -0.119 0.252 135 Q C -0.897 175.085 176.000 -0.031 0.000 0.915 135 Q CA 0.231 56.016 55.803 -0.031 0.000 0.915 135 Q CB 1.246 29.984 28.738 -0.000 0.000 1.204 135 Q HN 0.215 8.461 8.270 -0.040 0.000 0.421 136 c N 0.754 119.338 118.600 -0.026 0.000 2.913 136 c HA 0.590 5.263 4.570 -0.020 -0.116 0.322 136 c C -1.558 172.540 174.090 0.013 0.000 1.292 136 c CA -1.301 55.014 56.329 -0.023 0.000 1.649 136 c CB 4.298 46.772 42.510 -0.061 0.000 2.139 136 c HN 0.759 8.857 8.230 -0.024 0.117 0.475 137 L N 0.760 121.997 121.223 0.024 0.000 2.333 137 L HA 0.680 5.204 4.340 0.062 -0.147 0.280 137 L C -2.365 174.523 176.870 0.030 0.000 1.004 137 L CA -1.167 53.703 54.840 0.051 0.000 0.820 137 L CB 3.250 45.363 42.059 0.089 0.000 1.247 137 L HN 0.675 8.805 8.230 0.014 0.108 0.416 138 I N 7.516 128.089 120.570 0.006 0.000 2.433 138 I HA 0.817 5.215 4.170 0.016 -0.218 0.292 138 I C -1.427 174.662 176.117 -0.046 0.000 1.001 138 I CA -1.474 59.823 61.300 -0.004 0.000 1.119 138 I CB 2.553 40.551 38.000 -0.003 0.000 1.289 138 I HN 0.820 9.036 8.210 0.011 0.000 0.438 139 S N 3.310 118.979 115.700 -0.052 0.000 2.595 139 S HA 1.034 5.543 4.470 -0.215 -0.168 0.281 139 S C -1.082 173.408 174.600 -0.184 0.000 1.117 139 S CA -1.880 56.217 58.200 -0.172 0.000 0.873 139 S CB 3.753 66.814 63.200 -0.232 0.000 1.108 139 S HN -0.219 8.093 8.310 0.004 0.000 0.477 140 G N -0.893 107.706 108.800 -0.334 0.000 2.316 140 G HA2 0.166 3.893 3.960 -0.390 0.000 0.296 140 G HA3 0.166 4.240 3.960 -0.040 -0.138 0.296 140 G C -2.403 172.290 174.900 -0.345 0.000 1.399 140 G CA 0.589 45.522 45.100 -0.278 0.000 0.833 140 G HN 0.320 8.358 8.290 -0.421 0.000 0.565 141 W N 1.135 122.403 121.300 -0.054 0.000 3.015 141 W HA 0.399 5.009 4.660 -0.083 0.000 0.429 141 W C -0.332 176.222 176.519 0.059 0.000 0.976 141 W CA -0.979 56.302 57.345 -0.107 0.000 2.086 141 W CB 0.106 29.316 29.460 -0.417 0.000 1.125 141 W HN 0.573 8.950 8.180 0.328 0.000 0.721 142 G N 0.655 109.598 108.800 0.237 0.000 2.580 142 G HA2 -0.010 4.245 3.960 0.454 0.000 0.278 142 G HA3 -0.010 4.338 3.960 0.198 -0.270 0.278 142 G C -0.899 173.947 174.900 -0.091 0.000 1.212 142 G CA -1.013 44.220 45.100 0.221 0.000 0.939 142 G HN -0.501 7.992 8.290 0.140 -0.119 0.513 143 N N -0.149 118.316 118.700 -0.391 0.000 2.294 143 N HA -0.328 3.855 4.740 -1.197 -0.161 0.248 143 N C 0.767 176.106 175.510 -0.284 0.000 1.242 143 N CA 1.320 53.952 53.050 -0.698 0.000 0.848 143 N CB 0.606 38.759 38.487 -0.557 0.000 1.084 143 N HN 0.229 8.505 8.380 -0.173 0.000 0.457 144 T N -0.418 113.990 114.554 -0.243 0.000 3.092 144 T HA 0.171 4.590 4.350 -0.093 -0.124 0.258 144 T C 0.024 174.674 174.700 -0.083 0.000 1.031 144 T CA 0.182 62.211 62.100 -0.118 0.000 0.925 144 T CB 1.231 70.048 68.868 -0.085 0.000 1.036 144 T HN 0.166 8.222 8.240 -0.306 0.000 0.544 145 K N 1.833 122.176 120.400 -0.094 0.000 2.270 145 K HA 0.368 4.667 4.320 -0.035 0.000 0.255 145 K C -0.331 176.251 176.600 -0.031 0.000 0.936 145 K CA -2.089 54.169 56.287 -0.049 0.000 0.809 145 K CB 2.321 34.797 32.500 -0.041 0.000 1.131 145 K HN -0.764 7.584 8.250 -0.144 -0.184 0.427 146 S N 1.818 117.511 115.700 -0.011 0.000 2.371 146 S HA -0.221 4.252 4.470 0.006 0.000 0.224 146 S C 0.040 174.646 174.600 0.009 0.000 1.029 146 S CA 2.238 60.440 58.200 0.004 0.000 0.978 146 S CB 0.442 63.648 63.200 0.011 0.000 0.833 146 S HN 0.234 8.538 8.310 -0.010 0.000 0.466 147 S N 1.214 116.918 115.700 0.006 0.000 2.426 147 S HA 0.137 4.617 4.470 0.017 0.000 0.236 147 S C -0.952 173.654 174.600 0.010 0.000 1.368 147 S CA -0.538 57.669 58.200 0.012 0.000 1.154 147 S CB 0.309 63.516 63.200 0.012 0.000 1.037 147 S HN -0.431 7.880 8.310 0.002 0.000 0.481 148 G N 3.311 112.118 108.800 0.012 0.000 2.369 148 G HA2 -0.153 3.823 3.960 0.025 0.000 0.295 148 G HA3 -0.153 3.813 3.960 0.009 0.000 0.295 148 G C -2.693 172.214 174.900 0.012 0.000 1.298 148 G CA -0.232 44.877 45.100 0.015 0.000 0.940 148 G HN -0.330 7.969 8.290 0.016 0.000 0.536 149 T N -0.198 114.372 114.554 0.027 0.000 2.890 149 T HA 0.154 4.655 4.350 -0.028 -0.168 0.295 149 T C -1.582 173.138 174.700 0.034 0.000 0.993 149 T CA -0.119 62.008 62.100 0.044 0.000 0.979 149 T CB 1.952 70.912 68.868 0.153 0.000 0.967 149 T HN -0.113 8.147 8.240 0.034 0.000 0.441 150 S N 6.227 121.879 115.700 -0.079 0.000 2.737 150 S HA 0.215 4.733 4.470 0.080 0.000 0.269 150 S C -2.143 172.379 174.600 -0.130 0.000 1.150 150 S CA 0.132 58.320 58.200 -0.019 0.000 1.077 150 S CB 1.170 64.352 63.200 -0.030 0.000 1.075 150 S HN 0.572 9.097 8.310 -0.263 -0.373 0.476 151 Y N 5.952 126.283 120.300 0.052 0.000 2.328 151 Y HA 0.222 4.819 4.550 0.078 0.000 0.337 151 Y C -1.081 174.860 175.900 0.067 0.000 1.008 151 Y CA -2.634 55.508 58.100 0.069 0.000 1.129 151 Y CB 0.846 39.352 38.460 0.077 0.000 1.185 151 Y HN 0.123 8.595 8.280 0.319 0.000 0.476 152 P HA 0.343 4.828 4.420 0.109 0.000 0.278 152 P C -1.699 175.721 177.300 0.200 0.000 1.266 152 P CA -0.649 62.535 63.100 0.140 0.000 0.807 152 P CB 2.156 33.906 31.700 0.082 0.000 1.094 153 D N -1.964 118.537 120.400 0.169 0.000 2.423 153 D HA -0.022 4.705 4.640 0.145 0.000 0.208 153 D C -1.532 174.937 176.300 0.281 0.000 1.068 153 D CA 0.789 54.891 54.000 0.169 0.000 0.860 153 D CB 1.216 42.072 40.800 0.093 0.000 0.992 153 D HN 0.415 8.862 8.370 0.129 0.000 0.504 154 V N -7.068 112.993 119.914 0.246 0.000 2.850 154 V HA 0.631 5.125 4.120 0.367 -0.153 0.315 154 V C -0.878 175.231 176.094 0.026 0.000 1.064 154 V CA -2.827 59.605 62.300 0.220 0.000 0.979 154 V CB 2.274 34.152 31.823 0.092 0.000 1.039 154 V HN -0.945 7.345 8.190 0.167 0.000 0.452 155 L N 2.481 123.590 121.223 -0.190 0.000 2.455 155 L HA -0.058 3.548 4.340 -1.223 0.000 0.272 155 L C -0.304 176.312 176.870 -0.424 0.000 1.174 155 L CA 0.836 55.267 54.840 -0.681 0.000 0.869 155 L CB 0.590 42.226 42.059 -0.705 0.000 1.130 155 L HN -0.153 8.269 8.230 0.002 -0.190 0.474 156 K N 5.792 125.922 120.400 -0.451 0.000 2.203 156 K HA 0.718 4.996 4.320 -0.349 -0.168 0.251 156 K C -1.170 175.170 176.600 -0.434 0.000 0.944 156 K CA -2.606 53.465 56.287 -0.360 0.000 0.829 156 K CB 2.374 34.730 32.500 -0.239 0.000 1.125 156 K HN -0.034 7.882 8.250 -0.557 0.000 0.430 157 c N -0.191 118.045 118.600 -0.606 0.000 2.707 157 c HA 0.968 5.476 4.570 -0.397 -0.177 0.313 157 c C -1.857 171.895 174.090 -0.563 0.000 1.209 157 c CA -0.843 55.091 56.329 -0.659 0.000 1.635 157 c CB 3.769 45.689 42.510 -0.983 0.000 2.206 157 c HN 0.855 8.544 8.230 -0.725 0.106 0.485 158 L N 0.858 121.957 121.223 -0.208 0.000 2.562 158 L HA 0.443 4.862 4.340 0.132 0.000 0.266 158 L C -2.505 174.443 176.870 0.130 0.000 0.949 158 L CA 0.247 55.110 54.840 0.040 0.000 0.879 158 L CB 4.233 46.318 42.059 0.044 0.000 1.278 158 L HN 0.759 8.889 8.230 -0.168 0.000 0.404 159 K N 7.018 127.553 120.400 0.224 0.000 2.201 159 K HA 0.875 5.521 4.320 0.132 -0.247 0.278 159 K C -0.934 175.805 176.600 0.232 0.000 1.027 159 K CA -0.737 55.661 56.287 0.185 0.000 0.909 159 K CB 1.403 34.008 32.500 0.176 0.000 1.062 159 K HN 0.305 8.725 8.250 0.283 0.000 0.465 160 A N 3.617 126.513 122.820 0.127 0.000 2.547 160 A HA 0.639 5.001 4.320 0.070 0.000 0.297 160 A C -3.362 174.164 177.584 -0.096 0.000 1.056 160 A CA -2.492 49.560 52.037 0.026 0.000 0.688 160 A CB 3.018 22.037 19.000 0.032 0.000 1.282 160 A HN 0.707 8.897 8.150 0.067 0.000 0.400 161 P HA 0.625 5.192 4.420 -0.102 -0.208 0.284 161 P C -1.025 176.199 177.300 -0.127 0.000 1.258 161 P CA -1.349 61.660 63.100 -0.150 0.000 0.824 161 P CB 1.509 33.119 31.700 -0.150 0.000 1.038 162 I N 0.101 120.615 120.570 -0.093 0.000 2.529 162 I HA -0.098 4.209 4.170 0.051 -0.106 0.284 162 I C 0.151 176.248 176.117 -0.033 0.000 1.082 162 I CA 0.778 62.051 61.300 -0.045 0.000 1.406 162 I CB 0.390 38.289 38.000 -0.169 0.000 1.405 162 I HN 0.080 8.227 8.210 -0.105 0.000 0.548 163 L N 6.099 127.338 121.223 0.028 0.000 2.387 163 L HA 0.300 4.626 4.340 -0.022 0.000 0.266 163 L C -0.453 176.436 176.870 0.031 0.000 1.059 163 L CA -1.138 53.709 54.840 0.012 0.000 0.801 163 L CB 0.922 42.997 42.059 0.027 0.000 1.223 163 L HN 0.276 8.570 8.230 0.107 0.000 0.456 164 S N -0.120 115.590 115.700 0.018 0.000 2.572 164 S HA -0.079 4.400 4.470 0.015 0.000 0.279 164 S C 0.632 175.259 174.600 0.045 0.000 1.341 164 S CA -0.564 57.649 58.200 0.022 0.000 1.043 164 S CB 1.013 64.219 63.200 0.011 0.000 0.887 164 S HN 0.201 8.515 8.310 0.007 0.000 0.516 165 D N 2.848 123.277 120.400 0.049 0.000 2.178 165 D HA -0.264 4.430 4.640 0.089 0.000 0.201 165 D C 1.901 178.235 176.300 0.057 0.000 0.980 165 D CA 3.583 57.624 54.000 0.067 0.000 0.842 165 D CB -0.382 40.455 40.800 0.062 0.000 0.948 165 D HN 0.535 8.927 8.370 0.036 0.000 0.472 166 S N -0.825 114.900 115.700 0.040 0.000 2.368 166 S HA -0.317 4.176 4.470 0.038 0.000 0.225 166 S C 1.852 176.471 174.600 0.033 0.000 1.030 166 S CA 3.520 61.741 58.200 0.034 0.000 0.999 166 S CB -0.250 62.963 63.200 0.022 0.000 0.844 166 S HN 0.170 8.482 8.310 0.033 0.017 0.459 167 S N 2.160 117.877 115.700 0.029 0.000 2.428 167 S HA -0.153 4.323 4.470 0.010 0.000 0.230 167 S C 2.015 176.634 174.600 0.032 0.000 1.014 167 S CA 2.870 61.082 58.200 0.020 0.000 0.957 167 S CB -0.190 63.018 63.200 0.013 0.000 0.784 167 S HN -0.484 7.843 8.310 0.028 0.000 0.499 168 c N 3.795 122.433 118.600 0.063 0.000 2.476 168 c HA -0.220 4.421 4.570 0.118 0.000 0.278 168 c C 1.906 176.079 174.090 0.139 0.000 1.274 168 c CA 2.705 59.100 56.329 0.110 0.000 1.713 168 c CB -1.785 40.794 42.510 0.116 0.000 2.039 168 c HN -0.243 7.913 8.230 0.061 0.111 0.484 169 K N -0.627 119.838 120.400 0.108 0.000 2.148 169 K HA -0.336 4.081 4.320 0.160 0.000 0.204 169 K C 2.214 178.861 176.600 0.077 0.000 1.050 169 K CA 3.185 59.539 56.287 0.113 0.000 0.942 169 K CB -0.045 32.505 32.500 0.083 0.000 0.724 169 K HN 0.295 8.488 8.250 0.088 0.109 0.446 170 S N -1.130 114.591 115.700 0.036 0.000 2.423 170 S HA -0.229 4.249 4.470 0.013 0.000 0.231 170 S C 0.529 175.100 174.600 -0.049 0.000 1.014 170 S CA 2.772 60.973 58.200 0.002 0.000 0.965 170 S CB -0.109 63.087 63.200 -0.006 0.000 0.785 170 S HN -0.371 7.960 8.310 0.035 0.000 0.495 171 A N -0.445 122.316 122.820 -0.099 0.000 1.930 171 A HA -0.047 4.104 4.320 -0.283 0.000 0.215 171 A C -0.611 176.690 177.584 -0.472 0.000 1.176 171 A CA 1.746 53.580 52.037 -0.338 0.000 0.632 171 A CB 0.700 19.422 19.000 -0.464 0.000 0.819 171 A HN -0.768 7.236 8.150 -0.039 0.123 0.445 172 Y N -4.978 115.360 120.300 0.062 0.000 2.747 172 Y HA 0.511 5.133 4.550 0.120 0.000 0.362 172 Y C -2.565 173.396 175.900 0.102 0.000 1.026 172 Y CA -3.150 55.020 58.100 0.118 0.000 1.135 172 Y CB -0.214 38.372 38.460 0.210 0.000 1.175 172 Y HN -0.605 7.651 8.280 0.094 0.080 0.643 173 P HA -0.082 4.498 4.420 0.101 -0.099 0.263 173 P C 0.787 178.152 177.300 0.108 0.000 1.195 173 P CA 1.010 64.174 63.100 0.107 0.000 0.762 173 P CB 0.088 31.824 31.700 0.060 0.000 0.799 174 G N 4.080 112.936 108.800 0.092 0.000 2.168 174 G HA2 -0.370 3.625 3.960 0.059 0.000 0.257 174 G HA3 -0.370 3.620 3.960 0.051 0.000 0.257 174 G C 0.013 174.959 174.900 0.078 0.000 0.997 174 G CA 0.755 45.896 45.100 0.069 0.000 0.708 174 G HN 0.556 8.899 8.290 0.089 0.000 0.520 175 Q N -2.564 117.318 119.800 0.135 0.000 2.185 175 Q HA 0.097 4.465 4.340 0.048 0.000 0.234 175 Q C -0.658 175.466 176.000 0.206 0.000 0.819 175 Q CA -0.382 55.503 55.803 0.137 0.000 0.961 175 Q CB 1.715 30.574 28.738 0.202 0.000 1.140 175 Q HN -0.339 7.991 8.270 0.175 0.046 0.492 176 I N -0.130 120.560 120.570 0.199 0.000 2.359 176 I HA 0.096 4.406 4.170 0.234 0.000 0.294 176 I C -0.209 175.982 176.117 0.123 0.000 0.987 176 I CA -2.399 59.011 61.300 0.184 0.000 1.225 176 I CB -0.111 37.988 38.000 0.164 0.000 1.366 176 I HN -0.421 7.895 8.210 0.176 0.000 0.466 177 T N 1.508 116.131 114.554 0.115 0.000 2.919 177 T HA 0.386 4.777 4.350 0.067 0.000 0.282 177 T C 0.661 175.412 174.700 0.084 0.000 1.020 177 T CA -2.147 60.002 62.100 0.081 0.000 0.994 177 T CB 2.463 71.372 68.868 0.069 0.000 1.180 177 T HN -0.490 7.833 8.240 0.139 0.000 0.566 178 S N -2.064 113.673 115.700 0.061 0.000 2.603 178 S HA -0.198 4.313 4.470 0.068 0.000 0.229 178 S C 0.272 174.914 174.600 0.069 0.000 0.972 178 S CA 1.890 60.124 58.200 0.056 0.000 0.935 178 S CB -0.266 62.949 63.200 0.025 0.000 0.769 178 S HN 0.280 8.618 8.310 0.046 0.000 0.536 179 N N 0.534 119.288 118.700 0.089 0.000 2.251 179 N HA 0.179 4.985 4.740 0.109 0.000 0.217 179 N C -1.702 173.923 175.510 0.192 0.000 1.124 179 N CA -0.470 52.664 53.050 0.140 0.000 0.843 179 N CB 0.875 39.466 38.487 0.174 0.000 1.024 179 N HN -0.574 7.774 8.380 0.086 0.084 0.501 180 M N -1.324 118.373 119.600 0.161 0.000 2.550 180 M HA 0.793 5.531 4.480 0.062 -0.220 0.292 180 M C -2.272 174.122 176.300 0.157 0.000 1.221 180 M CA -0.339 55.023 55.300 0.103 0.000 0.873 180 M CB 5.083 37.721 32.600 0.062 0.000 1.727 180 M HN -0.780 7.513 8.290 0.147 0.085 0.459 181 F N -4.725 115.267 119.950 0.069 0.000 2.645 181 F HA 0.636 5.191 4.527 0.046 0.000 0.310 181 F C -2.562 173.290 175.800 0.087 0.000 1.102 181 F CA -2.284 55.755 58.000 0.066 0.000 0.952 181 F CB 2.362 41.401 39.000 0.065 0.000 1.326 181 F HN 0.146 8.243 8.300 -0.339 0.000 0.456 182 c N -0.338 118.411 118.600 0.248 0.000 2.391 182 c HA 0.990 5.788 4.570 0.063 -0.190 0.339 182 c C -1.083 173.203 174.090 0.327 0.000 1.205 182 c CA -1.097 55.336 56.329 0.173 0.000 1.937 182 c CB 2.879 45.453 42.510 0.107 0.000 2.341 182 c HN 0.869 9.290 8.230 0.317 0.000 0.516 183 A N 2.547 125.552 122.820 0.309 0.000 2.446 183 A HA 0.675 5.205 4.320 0.088 -0.157 0.282 183 A C -2.247 175.396 177.584 0.098 0.000 1.102 183 A CA -0.633 51.495 52.037 0.151 0.000 0.737 183 A CB 2.780 21.759 19.000 -0.033 0.000 1.212 183 A HN 0.259 8.633 8.150 0.372 0.000 0.434 184 Y N 3.019 123.352 120.300 0.054 0.000 2.486 184 Y HA 0.053 4.652 4.550 0.034 -0.029 0.348 184 Y C 1.127 177.045 175.900 0.030 0.000 1.000 184 Y CA -0.310 57.812 58.100 0.037 0.000 1.253 184 Y CB -0.042 38.438 38.460 0.032 0.000 1.140 184 Y HN 0.280 8.695 8.280 0.225 0.000 0.526 185 L N 4.551 125.837 121.223 0.106 0.000 2.265 185 L HA -0.403 3.969 4.340 0.052 0.000 0.215 185 L C 1.064 177.977 176.870 0.072 0.000 1.117 185 L CA 2.640 57.519 54.840 0.064 0.000 0.782 185 L CB -0.523 41.554 42.059 0.031 0.000 0.914 185 L HN 0.557 8.828 8.230 0.069 0.000 0.441 186 E N -2.633 117.629 120.200 0.102 0.000 2.268 186 E HA -0.153 4.225 4.350 0.048 0.000 0.195 186 E C 0.936 177.574 176.600 0.063 0.000 0.995 186 E CA 0.508 56.950 56.400 0.071 0.000 0.836 186 E CB -0.369 29.373 29.700 0.071 0.000 0.763 186 E HN 0.175 8.584 8.360 0.143 0.037 0.491 187 G N 0.786 109.642 108.800 0.094 0.000 3.439 187 G HA2 -0.364 3.739 3.960 0.091 0.000 0.686 187 G HA3 -0.364 3.660 3.960 0.049 -0.035 0.686 187 G C -0.939 173.991 174.900 0.050 0.000 1.075 187 G CA -0.351 44.793 45.100 0.073 0.000 0.926 187 G HN -0.429 7.784 8.290 0.145 0.163 0.485 188 K N 2.165 122.564 120.400 -0.001 0.000 6.677 188 K HA -0.594 3.981 4.320 0.008 -0.250 0.638 188 K C -1.266 175.424 176.600 0.150 0.000 2.505 188 K CA 0.960 57.264 56.287 0.028 0.000 1.869 188 K CB 0.168 32.597 32.500 -0.119 0.000 1.896 188 K HN 0.278 8.550 8.250 0.038 0.000 0.278 189 D N 0.248 120.720 120.400 0.121 0.000 2.764 189 D HA 0.266 5.021 4.640 0.193 0.000 0.293 189 D C -1.952 174.414 176.300 0.110 0.000 1.287 189 D CA -0.565 53.519 54.000 0.141 0.000 0.768 189 D CB 3.933 44.799 40.800 0.109 0.000 1.288 189 D HN 0.163 8.581 8.370 0.079 0.000 0.426 190 S N -1.500 114.278 115.700 0.131 0.000 2.693 190 S HA 0.223 4.746 4.470 0.089 0.000 0.276 190 S C -1.498 173.145 174.600 0.071 0.000 1.192 190 S CA -0.323 57.945 58.200 0.113 0.000 0.994 190 S CB 1.562 64.871 63.200 0.181 0.000 1.012 190 S HN 0.321 8.725 8.310 0.157 0.000 0.550 191 c N -1.050 117.592 118.600 0.071 0.000 3.336 191 c HA 0.316 4.922 4.570 0.061 0.000 0.339 191 c C -1.260 172.898 174.090 0.113 0.000 1.468 191 c CA -1.010 55.357 56.329 0.065 0.000 1.287 191 c CB 3.179 45.701 42.510 0.020 0.000 1.682 191 c HN 0.557 9.160 8.230 0.086 -0.322 0.451 192 Q N 1.052 120.933 119.800 0.135 0.000 2.364 192 Q HA -0.080 4.389 4.340 0.213 0.000 0.267 192 Q C 0.572 176.763 176.000 0.318 0.000 0.999 192 Q CA 0.863 56.797 55.803 0.218 0.000 0.886 192 Q CB 0.034 28.907 28.738 0.225 0.000 1.243 192 Q HN 0.669 9.002 8.270 0.105 0.000 0.415 193 G N 4.114 113.121 108.800 0.345 0.000 2.238 193 G HA2 -0.393 3.800 3.960 0.388 0.000 0.217 193 G HA3 -0.393 3.939 3.960 0.620 0.000 0.217 193 G C 0.400 175.553 174.900 0.422 0.000 0.996 193 G CA 0.928 46.303 45.100 0.458 0.000 0.632 193 G HN 0.737 9.203 8.290 0.293 0.000 0.503 194 D N 1.218 121.791 120.400 0.289 0.000 2.354 194 D HA 0.081 4.878 4.640 0.263 0.000 0.209 194 D C 0.127 176.546 176.300 0.198 0.000 1.015 194 D CA 0.905 55.043 54.000 0.230 0.000 0.867 194 D CB 0.562 41.457 40.800 0.158 0.000 0.933 194 D HN 0.076 8.498 8.370 0.250 0.098 0.520 195 S N -0.534 115.288 115.700 0.203 0.000 2.599 195 S HA -0.567 4.170 4.470 0.213 -0.139 0.303 195 S C 0.989 175.632 174.600 0.072 0.000 1.267 195 S CA 2.729 61.041 58.200 0.186 0.000 1.055 195 S CB 0.135 63.493 63.200 0.265 0.000 0.790 195 S HN -0.359 8.040 8.310 0.230 0.048 0.500 196 G N 4.748 113.581 108.800 0.055 0.000 2.225 196 G HA2 -0.469 3.556 3.960 0.007 0.000 0.254 196 G HA3 -0.469 3.582 3.960 -0.036 -0.113 0.254 196 G C -0.186 174.764 174.900 0.083 0.000 0.988 196 G CA 0.189 45.301 45.100 0.019 0.000 0.625 196 G HN 0.817 9.062 8.290 0.108 0.109 0.527 197 G N 0.860 109.733 108.800 0.122 0.000 2.616 197 G HA2 0.329 4.444 3.960 0.144 0.000 0.268 197 G HA3 0.329 4.374 3.960 0.141 0.000 0.268 197 G C -2.626 172.365 174.900 0.152 0.000 1.213 197 G CA -1.985 43.200 45.100 0.142 0.000 0.926 197 G HN -0.341 7.941 8.290 0.132 0.087 0.523 198 P HA 0.314 4.940 4.420 0.139 -0.122 0.281 198 P C -1.614 175.757 177.300 0.117 0.000 1.249 198 P CA -0.778 62.417 63.100 0.160 0.000 0.810 198 P CB 1.577 33.428 31.700 0.252 0.000 1.008 199 V N 2.165 122.126 119.914 0.079 0.000 2.419 199 V HA 0.362 4.663 4.120 -0.006 -0.185 0.287 199 V C -1.260 174.844 176.094 0.016 0.000 1.017 199 V CA -0.509 61.800 62.300 0.014 0.000 0.844 199 V CB 1.904 33.710 31.823 -0.029 0.000 1.011 199 V HN -0.234 8.008 8.190 0.087 0.000 0.429 200 V N 8.046 127.960 119.914 0.001 0.000 2.459 200 V HA 0.714 4.988 4.120 -0.070 -0.197 0.295 200 V C -1.313 174.761 176.094 -0.034 0.000 1.029 200 V CA -1.394 60.878 62.300 -0.047 0.000 0.874 200 V CB 3.034 34.798 31.823 -0.098 0.000 0.985 200 V HN 0.634 8.841 8.190 0.027 0.000 0.438 201 c N 6.241 124.808 118.600 -0.056 0.000 2.431 201 c HA 0.586 5.132 4.570 -0.040 0.000 0.321 201 c C 0.595 174.652 174.090 -0.054 0.000 1.202 201 c CA -1.598 54.696 56.329 -0.057 0.000 1.398 201 c CB 1.967 44.421 42.510 -0.094 0.000 2.047 201 c HN 0.645 8.834 8.230 -0.067 0.000 0.465 202 S N 4.844 120.521 115.700 -0.039 0.000 3.549 202 S HA -0.358 4.099 4.470 -0.022 0.000 0.366 202 S C 0.070 174.650 174.600 -0.034 0.000 1.012 202 S CA 1.178 59.359 58.200 -0.032 0.000 1.141 202 S CB -0.974 62.203 63.200 -0.039 0.000 0.910 202 S HN 1.148 9.440 8.310 -0.030 0.000 0.471 203 G N -4.839 103.939 108.800 -0.036 0.000 2.159 203 G HA2 -0.356 3.579 3.960 -0.042 0.000 0.256 203 G HA3 -0.356 3.586 3.960 -0.031 0.000 0.256 203 G C -1.078 173.776 174.900 -0.077 0.000 0.977 203 G CA 0.255 45.328 45.100 -0.046 0.000 0.652 203 G HN 0.278 8.530 8.290 -0.030 0.020 0.531 210 Q N 1.237 121.056 119.800 0.030 0.000 2.378 210 Q HA 0.212 4.590 4.340 0.063 0.000 0.229 210 Q C -0.291 175.871 176.000 0.271 0.000 0.882 210 Q CA 0.141 55.985 55.803 0.067 0.000 0.936 210 Q CB 2.864 31.554 28.738 -0.080 0.000 1.092 210 Q HN 0.367 8.646 8.270 0.014 0.000 0.535 211 G N -2.899 106.078 108.800 0.294 0.000 2.694 211 G HA2 0.621 5.086 3.960 0.433 0.000 0.290 211 G HA3 0.621 4.886 3.960 0.509 0.000 0.290 211 G C -3.231 171.802 174.900 0.222 0.000 1.386 211 G CA -0.678 44.653 45.100 0.385 0.000 0.872 211 G HN -0.339 8.057 8.290 0.178 0.000 0.475 212 I N -1.370 119.327 120.570 0.211 0.000 2.499 212 I HA 0.482 4.952 4.170 0.175 -0.195 0.288 212 I C -0.507 175.746 176.117 0.226 0.000 1.048 212 I CA -1.283 60.124 61.300 0.178 0.000 1.062 212 I CB 4.302 42.367 38.000 0.108 0.000 1.238 212 I HN -0.348 8.053 8.210 0.194 -0.075 0.426 213 V N 7.578 127.642 119.914 0.251 0.000 2.475 213 V HA -0.238 3.973 4.120 0.152 0.000 0.292 213 V C -1.125 175.021 176.094 0.087 0.000 1.003 213 V CA 2.126 64.534 62.300 0.181 0.000 1.120 213 V CB -1.258 30.688 31.823 0.205 0.000 0.937 213 V HN 0.555 8.879 8.190 0.223 0.000 0.476 214 S N 8.576 124.226 115.700 -0.083 0.000 2.942 214 S HA 0.359 5.033 4.470 0.341 0.000 0.220 214 S C -1.044 173.623 174.600 0.111 0.000 0.945 214 S CA 0.724 58.991 58.200 0.112 0.000 0.851 214 S CB 1.930 65.183 63.200 0.088 0.000 0.820 214 S HN -0.077 7.989 8.310 -0.407 0.000 0.624 215 W N -3.620 117.507 121.300 -0.287 0.000 2.940 215 W HA 0.305 4.835 4.660 -0.218 0.000 0.394 215 W C -2.757 173.580 176.519 -0.304 0.000 1.155 215 W CA -1.035 56.146 57.345 -0.274 0.000 1.165 215 W CB 1.660 30.953 29.460 -0.277 0.000 1.492 215 W HN -0.022 7.829 8.180 -0.548 0.000 0.593 216 G N -2.466 106.342 108.800 0.014 0.000 2.341 216 G HA2 0.160 3.779 3.960 -0.569 0.000 0.299 216 G HA3 0.160 4.037 3.960 -0.138 0.000 0.299 216 G C -2.232 172.782 174.900 0.190 0.000 1.274 216 G CA 0.227 45.236 45.100 -0.152 0.000 0.853 216 G HN -0.020 8.483 8.290 0.355 0.000 0.493 220 c N 1.765 120.399 118.600 0.057 0.000 3.465 220 c HA 0.312 5.067 4.570 0.056 -0.152 0.193 220 c C -1.372 172.746 174.090 0.047 0.000 1.515 220 c CA -1.110 55.249 56.329 0.050 0.000 1.340 220 c CB -1.462 41.069 42.510 0.035 0.000 1.928 220 c HN 0.305 8.565 8.230 0.051 0.000 0.510 221 Q N -1.977 117.853 119.800 0.050 0.000 2.962 221 Q HA 0.110 4.468 4.340 0.031 0.000 0.270 221 Q C -1.523 174.498 176.000 0.035 0.000 0.949 221 Q CA -0.502 55.324 55.803 0.037 0.000 0.829 221 Q CB 2.097 30.857 28.738 0.036 0.000 1.869 221 Q HN 0.057 8.362 8.270 0.058 0.000 0.494 222 K N 3.318 123.731 120.400 0.023 0.000 2.326 222 K HA -0.208 4.253 4.320 0.032 -0.122 0.275 222 K C -0.021 176.577 176.600 -0.004 0.000 1.018 222 K CA 0.633 56.931 56.287 0.018 0.000 0.962 222 K CB 0.354 32.862 32.500 0.012 0.000 0.953 222 K HN 0.217 8.479 8.250 0.019 0.000 0.475 223 N N 2.508 121.203 118.700 -0.008 0.000 2.708 223 N HA -0.468 4.252 4.740 -0.034 0.000 0.251 223 N C -1.646 173.800 175.510 -0.107 0.000 1.123 223 N CA 1.980 55.001 53.050 -0.048 0.000 0.739 223 N CB -0.844 37.607 38.487 -0.060 0.000 1.113 223 N HN 0.879 9.150 8.380 0.013 0.117 0.561 224 K N -1.468 118.899 120.400 -0.054 0.000 2.842 224 K HA 0.530 4.712 4.320 -0.230 0.000 0.176 224 K C -2.417 174.232 176.600 0.081 0.000 1.080 224 K CA -3.694 52.566 56.287 -0.046 0.000 0.954 224 K CB 0.401 32.910 32.500 0.015 0.000 1.203 224 K HN -0.791 7.397 8.250 -0.005 0.059 0.611 225 P HA -0.058 4.425 4.420 0.104 0.000 0.273 225 P C -0.775 176.561 177.300 0.060 0.000 1.250 225 P CA -0.445 62.717 63.100 0.102 0.000 0.793 225 P CB 1.149 32.903 31.700 0.090 0.000 1.011 226 G N -2.631 106.174 108.800 0.008 0.000 2.507 226 G HA2 0.271 4.033 3.960 -0.329 0.000 0.271 226 G HA3 0.271 4.123 3.960 -0.269 -0.053 0.271 226 G C -1.596 172.950 174.900 -0.590 0.000 1.189 226 G CA -0.708 44.217 45.100 -0.291 0.000 0.859 226 G HN -0.468 7.892 8.290 0.118 0.000 0.542 227 V N 1.043 120.288 119.914 -1.116 0.000 2.495 227 V HA 0.558 4.364 4.120 -0.784 -0.156 0.298 227 V C -1.041 174.240 176.094 -1.356 0.000 1.031 227 V CA -0.930 60.647 62.300 -1.205 0.000 0.871 227 V CB 1.934 32.589 31.823 -1.947 0.000 0.988 227 V HN 0.508 8.027 8.190 -1.119 0.000 0.432 228 Y N 5.543 125.428 120.300 -0.692 0.000 2.485 228 Y HA 0.616 5.093 4.550 -0.381 -0.156 0.345 228 Y C 0.420 176.020 175.900 -0.500 0.000 0.998 228 Y CA -2.335 55.369 58.100 -0.660 0.000 1.059 228 Y CB 3.432 41.226 38.460 -1.109 0.000 1.234 228 Y HN 1.097 8.941 8.280 -0.727 0.000 0.461 229 T N 4.883 119.393 114.554 -0.073 0.000 2.901 229 T HA 0.016 4.574 4.350 0.090 -0.153 0.301 229 T C -0.630 174.198 174.700 0.213 0.000 1.012 229 T CA 1.454 63.598 62.100 0.074 0.000 1.135 229 T CB 0.531 69.433 68.868 0.057 0.000 0.936 229 T HN 0.454 8.686 8.240 -0.014 0.000 0.539 230 K N 7.906 128.522 120.400 0.359 0.000 2.150 230 K HA 0.178 5.054 4.320 0.732 -0.117 0.261 230 K C 1.052 177.915 176.600 0.438 0.000 1.127 230 K CA -0.837 55.750 56.287 0.500 0.000 0.989 230 K CB -0.320 32.435 32.500 0.424 0.000 1.475 230 K HN 0.005 8.353 8.250 0.328 0.098 0.391 231 V N 5.701 125.856 119.914 0.401 0.000 2.453 231 V HA -0.541 3.890 4.120 0.518 0.000 0.252 231 V C 1.394 177.654 176.094 0.276 0.000 1.068 231 V CA 3.881 66.403 62.300 0.369 0.000 1.070 231 V CB -0.317 31.647 31.823 0.235 0.000 0.664 231 V HN 0.213 8.646 8.190 0.404 0.000 0.461 232 c N -4.182 114.517 118.600 0.165 0.000 2.409 232 c HA -0.176 4.441 4.570 0.078 0.000 0.288 232 c C 1.348 175.459 174.090 0.035 0.000 1.395 232 c CA 1.259 57.635 56.329 0.078 0.000 1.792 232 c CB -2.119 40.407 42.510 0.026 0.000 1.847 232 c HN 0.457 8.764 8.230 0.166 0.022 0.534 233 N N 0.597 119.285 118.700 -0.020 0.000 2.463 233 N HA -0.039 4.612 4.740 -0.149 0.000 0.181 233 N C 0.279 175.564 175.510 -0.374 0.000 1.078 233 N CA 0.999 53.902 53.050 -0.244 0.000 0.902 233 N CB 0.024 38.233 38.487 -0.465 0.000 0.970 233 N HN -0.400 7.967 8.380 0.059 0.048 0.451 234 Y N -3.896 116.485 120.300 0.135 0.000 2.531 234 Y HA 0.157 4.870 4.550 0.272 0.000 0.249 234 Y C 0.384 176.425 175.900 0.236 0.000 1.168 234 Y CA -0.428 57.815 58.100 0.238 0.000 1.226 234 Y CB -0.062 38.571 38.460 0.288 0.000 1.177 234 Y HN -0.199 8.007 8.280 0.185 0.185 0.527 235 V N 1.289 121.339 119.914 0.228 0.000 2.343 235 V HA -0.570 3.631 4.120 0.135 0.000 0.247 235 V C 1.366 177.519 176.094 0.098 0.000 1.051 235 V CA 4.958 67.339 62.300 0.135 0.000 1.036 235 V CB -0.738 31.129 31.823 0.074 0.000 0.654 235 V HN -0.359 7.929 8.190 0.164 0.000 0.451 236 S N -0.171 115.592 115.700 0.105 0.000 2.368 236 S HA -0.337 4.147 4.470 0.023 0.000 0.225 236 S C 1.805 176.456 174.600 0.086 0.000 1.030 236 S CA 3.049 61.291 58.200 0.071 0.000 0.999 236 S CB -0.451 62.793 63.200 0.074 0.000 0.844 236 S HN 0.071 8.445 8.310 0.107 0.000 0.459 237 W N 4.028 125.364 121.300 0.060 0.000 2.355 237 W HA -0.147 4.659 4.660 0.028 -0.129 0.309 237 W C 1.623 178.150 176.519 0.014 0.000 1.206 237 W CA 2.765 60.150 57.345 0.067 0.000 1.284 237 W CB -0.056 29.526 29.460 0.203 0.000 1.145 237 W HN -0.415 7.975 8.180 0.349 0.000 0.502 238 I N -0.619 119.855 120.570 -0.160 0.000 2.142 238 I HA -0.763 2.857 4.170 -0.917 0.000 0.240 238 I C 1.818 177.662 176.117 -0.456 0.000 1.078 238 I CA 4.554 65.579 61.300 -0.457 0.000 1.343 238 I CB -0.250 37.672 38.000 -0.130 0.000 1.046 238 I HN 0.333 8.663 8.210 0.199 0.000 0.405 239 K N -1.315 118.932 120.400 -0.255 0.000 2.063 239 K HA -0.489 3.676 4.320 -0.258 0.000 0.208 239 K C 2.855 179.297 176.600 -0.263 0.000 1.048 239 K CA 3.845 59.994 56.287 -0.230 0.000 0.928 239 K CB -0.322 32.105 32.500 -0.121 0.000 0.713 239 K HN -0.055 8.108 8.250 -0.144 0.000 0.442 240 Q N -1.998 117.655 119.800 -0.246 0.000 2.079 240 Q HA -0.273 3.974 4.340 -0.155 0.000 0.200 240 Q C 2.547 178.365 176.000 -0.303 0.000 0.974 240 Q CA 3.554 59.230 55.803 -0.213 0.000 0.840 240 Q CB 0.033 28.692 28.738 -0.132 0.000 0.898 240 Q HN -0.030 8.103 8.270 -0.216 0.007 0.430 241 T N 2.601 116.852 114.554 -0.507 0.000 2.737 241 T HA -0.276 3.852 4.350 -0.370 0.000 0.265 241 T C 2.443 176.781 174.700 -0.602 0.000 1.038 241 T CA 4.934 66.691 62.100 -0.572 0.000 1.144 241 T CB -0.226 68.066 68.868 -0.960 0.000 0.866 241 T HN -0.035 7.836 8.240 -0.614 0.000 0.434 242 I N -2.116 117.960 120.570 -0.823 0.000 2.394 242 I HA -0.189 3.053 4.170 -1.547 0.000 0.251 242 I C 1.285 177.166 176.117 -0.394 0.000 1.136 242 I CA 3.042 63.703 61.300 -1.065 0.000 1.425 242 I CB -0.619 36.555 38.000 -1.378 0.000 1.079 242 I HN 0.194 7.933 8.210 -0.785 0.000 0.425 243 A N -0.571 122.082 122.820 -0.278 0.000 2.119 243 A HA -0.101 4.180 4.320 -0.065 0.000 0.217 243 A C 0.549 178.098 177.584 -0.057 0.000 1.153 243 A CA 1.748 53.716 52.037 -0.115 0.000 0.692 243 A CB -0.253 18.685 19.000 -0.103 0.000 0.799 243 A HN -0.232 7.704 8.150 -0.333 0.014 0.458 244 S N -3.297 112.357 115.700 -0.077 0.000 2.568 244 S HA 0.152 4.620 4.470 -0.004 0.000 0.232 244 S C -0.901 173.722 174.600 0.039 0.000 0.975 244 S CA 0.419 58.607 58.200 -0.020 0.000 0.949 244 S CB 0.735 63.910 63.200 -0.041 0.000 0.829 244 S HN -0.531 7.532 8.310 -0.153 0.154 0.479 245 N N 0.000 118.764 118.700 0.106 0.000 1.763 245 N HA 0.000 4.831 4.740 0.152 0.000 0.220 245 N CA 0.000 53.190 53.050 0.234 0.000 0.885 245 N CB 0.000 38.694 38.487 0.346 0.000 1.341 245 N HN 0.000 8.369 8.380 0.084 0.062 0.667