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 1o3l_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQR DATA SEQUENCE LXXGEDNINV 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 4.188 4.170 0.030 0.000 0.288 16 I C 0.000 176.112 176.117 -0.008 0.000 1.063 16 I CA 0.000 61.300 61.300 -0.000 0.000 1.566 16 I CB 0.000 37.965 38.000 -0.059 0.000 1.214 17 V N 5.539 125.460 119.914 0.011 0.000 2.435 17 V HA 0.250 4.498 4.120 -0.010 -0.135 0.290 17 V C 0.570 176.668 176.094 0.007 0.000 1.030 17 V CA -1.602 60.701 62.300 0.004 0.000 0.881 17 V CB 1.277 33.109 31.823 0.014 0.000 0.983 17 V HN 0.954 9.056 8.190 0.033 0.108 0.445 18 G N 7.063 115.861 108.800 -0.004 0.000 2.198 18 G HA2 -0.399 3.555 3.960 -0.009 0.000 0.260 18 G HA3 -0.399 3.726 3.960 -0.023 -0.179 0.260 18 G C -0.682 174.228 174.900 0.016 0.000 1.025 18 G CA 0.528 45.624 45.100 -0.007 0.000 0.769 18 G HN 0.799 9.085 8.290 -0.008 0.000 0.507 19 G N -1.256 107.553 108.800 0.016 0.000 2.671 19 G HA2 0.518 4.537 3.960 0.113 0.000 0.275 19 G HA3 0.518 4.509 3.960 -0.074 -0.075 0.275 19 G C -1.747 173.202 174.900 0.082 0.000 1.368 19 G CA -1.067 44.050 45.100 0.027 0.000 1.044 19 G HN -0.664 7.593 8.290 -0.005 0.029 0.543 20 Y N -6.118 114.162 120.300 -0.033 0.000 2.634 20 Y HA 0.403 4.935 4.550 -0.030 0.000 0.340 20 Y C -1.775 174.098 175.900 -0.045 0.000 1.058 20 Y CA -2.967 55.113 58.100 -0.034 0.000 1.081 20 Y CB 1.172 39.615 38.460 -0.028 0.000 1.295 20 Y HN 0.406 8.271 8.280 -0.518 0.105 0.487 21 T N 2.935 117.522 114.554 0.055 0.000 2.769 21 T HA 0.093 4.503 4.350 -0.128 -0.137 0.293 21 T C 0.018 174.719 174.700 0.001 0.000 0.931 21 T CA 1.256 63.338 62.100 -0.031 0.000 1.139 21 T CB -0.294 68.591 68.868 0.028 0.000 0.881 21 T HN 0.121 8.459 8.240 0.163 0.000 0.532 22 c N 5.812 124.313 118.600 -0.164 0.000 2.413 22 c HA -0.186 4.361 4.570 -0.039 0.000 0.276 22 c C 0.411 174.514 174.090 0.021 0.000 1.236 22 c CA 1.018 57.289 56.329 -0.096 0.000 1.735 22 c CB -0.183 42.207 42.510 -0.200 0.000 2.031 22 c HN 0.100 8.178 8.230 -0.252 0.000 0.474 23 G N -2.337 106.459 108.800 -0.008 0.000 2.742 23 G HA2 -0.178 3.795 3.960 0.021 0.000 0.686 23 G HA3 -0.178 3.800 3.960 0.029 0.000 0.686 23 G C -1.917 172.980 174.900 -0.004 0.000 1.220 23 G CA -0.838 44.271 45.100 0.014 0.000 0.783 23 G HN -0.383 7.882 8.290 -0.042 0.000 0.646 24 A N 3.892 126.718 122.820 0.011 0.000 2.566 24 A HA -0.227 4.323 4.320 0.023 -0.216 0.245 24 A C -0.123 177.465 177.584 0.007 0.000 1.056 24 A CA 1.130 53.177 52.037 0.017 0.000 0.757 24 A CB 0.089 19.106 19.000 0.028 0.000 0.979 24 A HN 0.328 8.490 8.150 0.018 0.000 0.508 25 N N -2.823 115.879 118.700 0.003 0.000 2.693 25 N HA -0.391 4.341 4.740 -0.014 0.000 0.249 25 N C 0.527 176.019 175.510 -0.030 0.000 1.119 25 N CA 1.718 54.762 53.050 -0.009 0.000 0.717 25 N CB -1.016 37.477 38.487 0.010 0.000 1.071 25 N HN 0.534 8.923 8.380 0.015 0.000 0.555 26 T N -3.551 110.976 114.554 -0.044 0.000 3.113 26 T HA -0.033 4.310 4.350 -0.011 0.000 0.256 26 T C 0.011 174.661 174.700 -0.083 0.000 1.131 26 T CA 2.172 64.250 62.100 -0.036 0.000 1.074 26 T CB 0.423 69.284 68.868 -0.013 0.000 0.944 26 T HN -0.460 7.711 8.240 -0.048 0.040 0.516 27 V N 2.174 121.977 119.914 -0.184 0.000 2.320 27 V HA 0.375 4.251 4.120 -0.407 0.000 0.257 27 V C -1.535 174.264 176.094 -0.492 0.000 0.996 27 V CA -3.405 58.633 62.300 -0.438 0.000 0.928 27 V CB 0.580 32.112 31.823 -0.486 0.000 1.169 27 V HN -0.518 7.508 8.190 -0.159 0.068 0.475 28 P HA 0.049 4.523 4.420 -0.068 -0.095 0.230 28 P C 0.047 177.324 177.300 -0.038 0.000 1.158 28 P CA 1.597 64.645 63.100 -0.087 0.000 0.769 28 P CB 0.091 31.808 31.700 0.029 0.000 0.807 29 Y N -6.035 114.290 120.300 0.043 0.000 2.457 29 Y HA 0.521 5.254 4.550 0.058 -0.148 0.263 29 Y C -0.621 175.317 175.900 0.064 0.000 1.164 29 Y CA -3.338 54.793 58.100 0.052 0.000 1.274 29 Y CB -1.225 37.262 38.460 0.045 0.000 1.097 29 Y HN -0.395 7.366 8.280 -0.762 0.061 0.523 30 Q N 2.773 122.437 119.800 -0.226 0.000 2.304 30 Q HA 0.233 4.746 4.340 0.064 -0.135 0.260 30 Q C -0.336 175.744 176.000 0.133 0.000 0.965 30 Q CA 0.092 55.865 55.803 -0.050 0.000 0.898 30 Q CB 1.214 29.816 28.738 -0.228 0.000 1.196 30 Q HN -0.633 7.281 8.270 -0.497 0.058 0.402 31 V N 1.408 121.440 119.914 0.196 0.000 3.074 31 V HA 0.822 5.176 4.120 0.197 -0.116 0.314 31 V C -2.084 174.161 176.094 0.252 0.000 1.117 31 V CA -2.908 59.505 62.300 0.190 0.000 1.014 31 V CB 3.945 35.828 31.823 0.100 0.000 1.057 31 V HN 0.335 8.635 8.190 0.184 0.000 0.438 32 S N 0.606 116.357 115.700 0.085 0.000 2.473 32 S HA 0.462 5.160 4.470 0.188 -0.115 0.307 32 S C -1.088 173.380 174.600 -0.221 0.000 1.094 32 S CA -2.000 56.182 58.200 -0.029 0.000 1.070 32 S CB 1.866 64.840 63.200 -0.377 0.000 1.019 32 S HN 0.117 8.438 8.310 0.018 0.000 0.480 33 L N 7.033 127.980 121.223 -0.460 0.000 2.272 33 L HA 0.539 4.768 4.340 -0.399 -0.129 0.289 33 L C -1.552 174.794 176.870 -0.873 0.000 1.032 33 L CA -0.887 53.536 54.840 -0.693 0.000 0.810 33 L CB 0.847 42.276 42.059 -1.051 0.000 1.205 33 L HN 0.745 8.662 8.230 -0.522 0.000 0.422 38 G N -0.021 108.684 108.800 -0.159 0.000 2.176 38 G HA2 -0.294 3.652 3.960 -0.024 0.000 0.232 38 G HA3 -0.294 3.730 3.960 0.106 0.000 0.232 38 G C -1.538 173.452 174.900 0.149 0.000 0.986 38 G CA 0.379 45.491 45.100 0.020 0.000 0.643 38 G HN 0.235 8.754 8.290 -0.199 -0.348 0.522 39 Y N -7.692 112.579 120.300 -0.048 0.000 2.732 39 Y HA 0.196 4.702 4.550 -0.073 0.000 0.342 39 Y C -2.511 173.379 175.900 -0.016 0.000 1.203 39 Y CA -3.591 54.480 58.100 -0.047 0.000 1.092 39 Y CB 0.781 39.213 38.460 -0.048 0.000 1.345 39 Y HN -1.253 6.822 8.280 -0.376 -0.020 0.458 40 H N 2.315 121.318 119.070 -0.112 0.000 2.767 40 H HA -0.020 4.467 4.556 -0.380 -0.159 0.316 40 H C -0.726 174.560 175.328 -0.069 0.000 1.059 40 H CA 0.323 56.230 56.048 -0.235 0.000 1.461 40 H CB 0.338 29.950 29.762 -0.250 0.000 1.475 40 H HN 0.218 8.587 8.280 0.148 0.000 0.531 41 F N 1.269 120.776 119.950 -0.739 0.000 2.834 41 F HA 0.355 4.782 4.527 -0.167 0.000 0.332 41 F C -1.635 173.908 175.800 -0.429 0.000 1.056 41 F CA -0.390 57.366 58.000 -0.406 0.000 1.178 41 F CB 1.786 40.621 39.000 -0.275 0.000 1.037 41 F HN 0.102 7.630 8.300 -1.287 0.000 0.580 42 c N -2.120 115.776 118.600 -1.173 0.000 3.321 42 c HA 0.271 4.707 4.570 -0.224 0.000 0.329 42 c C -1.592 172.269 174.090 -0.382 0.000 1.394 42 c CA -0.102 55.896 56.329 -0.551 0.000 1.291 42 c CB 4.041 46.315 42.510 -0.393 0.000 1.606 42 c HN -0.804 6.391 8.230 -1.726 0.000 0.463 43 G N -1.056 107.722 108.800 -0.036 0.000 2.705 43 G HA2 0.818 5.062 3.960 0.224 0.000 0.299 43 G HA3 0.818 4.900 3.960 0.204 0.000 0.299 43 G C -2.538 172.383 174.900 0.035 0.000 1.315 43 G CA -1.678 43.498 45.100 0.127 0.000 1.045 43 G HN 0.771 9.052 8.290 -0.016 0.000 0.517 44 G N -4.112 104.745 108.800 0.095 0.000 2.506 44 G HA2 0.500 4.807 3.960 0.080 0.000 0.292 44 G HA3 0.500 4.496 3.960 0.059 0.000 0.292 44 G C -2.959 172.027 174.900 0.142 0.000 1.425 44 G CA 0.377 45.529 45.100 0.087 0.000 0.788 44 G HN -0.595 7.784 8.290 0.149 0.000 0.490 45 S N -0.432 115.359 115.700 0.152 0.000 2.532 45 S HA 0.840 5.684 4.470 0.269 -0.213 0.299 45 S C -1.267 173.439 174.600 0.176 0.000 1.105 45 S CA -0.941 57.383 58.200 0.207 0.000 1.018 45 S CB 3.748 67.059 63.200 0.186 0.000 1.021 45 S HN 0.473 8.860 8.310 0.129 0.000 0.483 46 L N 6.302 127.644 121.223 0.199 0.000 2.313 46 L HA 0.179 4.733 4.340 0.153 -0.122 0.282 46 L C -0.724 176.233 176.870 0.144 0.000 1.092 46 L CA -0.122 54.817 54.840 0.165 0.000 0.831 46 L CB 1.078 43.233 42.059 0.161 0.000 1.159 46 L HN 0.449 8.834 8.230 0.258 0.000 0.442 47 I N 0.466 121.119 120.570 0.137 0.000 4.057 47 I HA 0.534 4.902 4.170 0.067 -0.157 0.334 47 I C -1.038 175.138 176.117 0.098 0.000 1.308 47 I CA -0.726 60.632 61.300 0.097 0.000 1.125 47 I CB 0.791 38.839 38.000 0.080 0.000 1.034 47 I HN 0.266 8.576 8.210 0.167 0.000 0.401 48 N N -1.915 116.867 118.700 0.136 0.000 3.261 48 N HA 0.126 4.923 4.740 0.096 0.000 0.248 48 N C -0.437 175.154 175.510 0.136 0.000 1.498 48 N CA -0.344 52.784 53.050 0.130 0.000 0.884 48 N CB 0.566 39.143 38.487 0.151 0.000 1.428 48 N HN -0.919 7.557 8.380 0.159 0.000 0.517 49 S N -3.685 112.082 115.700 0.112 0.000 2.507 49 S HA -0.308 4.206 4.470 0.073 0.000 0.235 49 S C 0.764 175.399 174.600 0.059 0.000 0.988 49 S CA 2.719 60.967 58.200 0.079 0.000 0.944 49 S CB -0.076 63.158 63.200 0.057 0.000 0.762 49 S HN 0.364 8.737 8.310 0.105 0.000 0.526 50 Q N -0.267 119.585 119.800 0.088 0.000 2.164 50 Q HA 0.342 4.626 4.340 -0.093 0.000 0.226 50 Q C -2.124 173.744 176.000 -0.220 0.000 0.813 50 Q CA -0.437 55.318 55.803 -0.079 0.000 0.978 50 Q CB 2.672 31.329 28.738 -0.135 0.000 1.149 50 Q HN 0.271 8.982 8.270 0.186 -0.330 0.489 51 W N -2.143 119.166 121.300 0.015 0.000 2.915 51 W HA 0.747 5.618 4.660 0.013 -0.202 0.337 51 W C -1.445 175.091 176.519 0.029 0.000 1.102 51 W CA -1.181 56.173 57.345 0.015 0.000 1.224 51 W CB 3.778 33.238 29.460 -0.000 0.000 1.416 51 W HN -0.173 8.327 8.180 0.278 -0.154 0.503 52 V N 1.107 121.189 119.914 0.280 0.000 2.735 52 V HA 0.772 5.188 4.120 0.179 -0.188 0.310 52 V C -1.457 174.758 176.094 0.201 0.000 1.061 52 V CA -1.689 60.725 62.300 0.189 0.000 0.913 52 V CB 3.668 35.558 31.823 0.112 0.000 1.005 52 V HN 0.908 9.279 8.190 0.302 0.000 0.428 53 V N 6.115 126.124 119.914 0.158 0.000 2.513 53 V HA 0.740 5.125 4.120 0.165 -0.166 0.299 53 V C -1.256 174.900 176.094 0.105 0.000 1.035 53 V CA -1.220 61.164 62.300 0.141 0.000 0.889 53 V CB 2.038 33.936 31.823 0.126 0.000 0.988 53 V HN 0.696 8.974 8.190 0.146 0.000 0.440 54 S N 4.318 120.067 115.700 0.082 0.000 2.973 54 S HA 0.549 5.265 4.470 0.041 -0.222 0.317 54 S C -2.048 172.550 174.600 -0.003 0.000 1.196 54 S CA -2.509 55.712 58.200 0.035 0.000 0.894 54 S CB 2.399 65.608 63.200 0.015 0.000 1.292 54 S HN 0.677 9.046 8.310 0.098 0.000 0.614 55 A N -0.611 122.170 122.820 -0.065 0.000 2.312 55 A HA 0.472 4.890 4.320 -0.095 -0.156 0.326 55 A C 0.496 177.967 177.584 -0.189 0.000 1.172 55 A CA -1.687 50.271 52.037 -0.132 0.000 0.821 55 A CB 1.787 20.662 19.000 -0.210 0.000 1.166 55 A HN 0.217 8.320 8.150 -0.078 0.000 0.493 56 A N 5.149 127.805 122.820 -0.272 0.000 1.940 56 A HA -0.282 3.872 4.320 -0.276 0.000 0.219 56 A C 1.341 178.684 177.584 -0.402 0.000 1.176 56 A CA 2.983 54.727 52.037 -0.489 0.000 0.631 56 A CB -0.402 17.887 19.000 -1.185 0.000 0.814 56 A HN 0.596 8.607 8.150 -0.243 -0.007 0.446 57 H N -4.874 114.031 119.070 -0.275 0.000 2.563 57 H HA -0.074 4.505 4.556 0.037 0.000 0.272 57 H C 0.156 175.530 175.328 0.078 0.000 1.005 57 H CA 1.424 57.472 56.048 -0.000 0.000 1.171 57 H CB -1.149 28.691 29.762 0.131 0.000 1.351 57 H HN -0.003 8.477 8.280 -0.182 -0.309 0.602 58 c N -1.822 116.690 118.600 -0.147 0.000 2.791 58 c HA 0.033 4.656 4.570 0.088 0.000 0.270 58 c C 0.307 174.472 174.090 0.125 0.000 1.257 58 c CA 0.042 56.382 56.329 0.017 0.000 1.699 58 c CB -1.374 41.122 42.510 -0.023 0.000 1.904 58 c HN -0.232 7.676 8.230 -0.208 0.198 0.603 59 Y N 3.113 123.404 120.300 -0.016 0.000 2.712 59 Y HA -0.268 4.295 4.550 0.021 0.000 0.333 59 Y C -1.177 174.692 175.900 -0.052 0.000 1.225 59 Y CA 2.081 60.174 58.100 -0.012 0.000 1.499 59 Y CB 0.707 39.148 38.460 -0.032 0.000 1.288 59 Y HN -0.467 7.720 8.280 0.143 0.179 0.575 60 K N 6.142 125.819 120.400 -1.205 0.000 2.658 60 K HA 0.206 4.050 4.320 -0.793 0.000 0.293 60 K C -2.287 173.783 176.600 -0.883 0.000 1.026 60 K CA -1.041 54.701 56.287 -0.907 0.000 0.871 60 K CB 2.530 34.659 32.500 -0.618 0.000 1.524 60 K HN -0.162 7.350 8.250 -1.231 0.000 0.400 61 S N -0.807 114.593 115.700 -0.500 0.000 2.687 61 S HA 0.089 4.382 4.470 -0.294 0.000 0.283 61 S C 0.811 175.277 174.600 -0.223 0.000 1.170 61 S CA -0.231 57.796 58.200 -0.288 0.000 1.008 61 S CB 1.370 64.492 63.200 -0.131 0.000 1.026 61 S HN -0.059 8.023 8.310 -0.381 0.000 0.541 62 G N 0.316 109.028 108.800 -0.146 0.000 2.248 62 G HA2 -0.211 3.697 3.960 -0.086 0.000 0.263 62 G HA3 -0.211 3.676 3.960 -0.121 0.000 0.263 62 G C -1.438 173.394 174.900 -0.114 0.000 1.082 62 G CA 0.088 45.118 45.100 -0.116 0.000 0.863 62 G HN 0.259 8.478 8.290 -0.117 0.000 0.495 63 I N -1.193 119.321 120.570 -0.093 0.000 2.396 63 I HA 0.112 4.402 4.170 0.001 -0.120 0.292 63 I C -1.629 174.453 176.117 -0.058 0.000 0.999 63 I CA -0.751 60.527 61.300 -0.036 0.000 1.310 63 I CB 0.895 38.901 38.000 0.010 0.000 1.404 63 I HN -0.448 7.703 8.210 -0.098 0.000 0.496 64 Q N 6.493 126.244 119.800 -0.081 0.000 3.106 64 Q HA 0.575 4.969 4.340 -0.079 -0.101 0.247 64 Q C -1.682 174.232 176.000 -0.143 0.000 1.033 64 Q CA -1.974 53.762 55.803 -0.112 0.000 0.888 64 Q CB 4.355 32.993 28.738 -0.166 0.000 1.586 64 Q HN 0.344 8.571 8.270 -0.072 0.000 0.482 65 R N -2.449 117.999 120.500 -0.088 0.000 3.321 65 R HA 0.396 5.016 4.340 0.181 -0.172 0.285 65 R C -1.417 174.926 176.300 0.071 0.000 1.149 65 R CA 0.063 56.163 56.100 0.000 0.000 1.191 65 R CB 2.347 32.505 30.300 -0.238 0.000 1.276 65 R HN 0.612 8.806 8.270 -0.125 0.000 0.429 70 E N -0.537 119.761 120.200 0.164 0.000 2.248 70 E HA 0.152 4.581 4.350 0.132 0.000 0.272 70 E C -1.874 174.912 176.600 0.310 0.000 1.008 70 E CA 0.100 56.613 56.400 0.188 0.000 0.856 70 E CB 1.791 31.540 29.700 0.081 0.000 1.120 70 E HN -0.638 7.810 8.360 0.190 0.026 0.397 71 D N 0.937 121.495 120.400 0.263 0.000 2.912 71 D HA 0.051 4.906 4.640 0.358 0.000 0.170 71 D C -1.061 175.434 176.300 0.324 0.000 1.484 71 D CA 1.026 55.195 54.000 0.281 0.000 1.542 71 D CB 2.452 43.332 40.800 0.133 0.000 1.344 71 D HN 0.102 8.576 8.370 0.173 0.000 0.222 72 N N 1.232 120.032 118.700 0.166 0.000 2.401 72 N HA 0.158 5.130 4.740 0.169 -0.130 0.255 72 N C 2.172 177.685 175.510 0.006 0.000 1.110 72 N CA -0.474 52.645 53.050 0.113 0.000 0.949 72 N CB 0.374 38.903 38.487 0.071 0.000 1.110 72 N HN -0.380 8.383 8.380 0.123 -0.309 0.490 73 I N 0.882 121.365 120.570 -0.146 0.000 3.176 73 I HA -0.125 4.029 4.170 -0.276 -0.149 0.275 73 I C -0.524 175.505 176.117 -0.147 0.000 1.298 73 I CA 1.385 62.500 61.300 -0.308 0.000 1.445 73 I CB -0.845 36.725 38.000 -0.716 0.000 1.075 73 I HN 0.394 8.528 8.210 -0.125 0.000 0.482 74 N N -2.219 116.442 118.700 -0.065 0.000 2.236 74 N HA 0.118 4.839 4.740 -0.032 0.000 0.196 74 N C -0.911 174.604 175.510 0.009 0.000 1.114 74 N CA 0.143 53.180 53.050 -0.022 0.000 0.859 74 N CB 2.057 40.541 38.487 -0.005 0.000 0.982 74 N HN -0.075 8.560 8.380 -0.044 -0.281 0.493 75 V N 0.330 120.255 119.914 0.019 0.000 2.638 75 V HA 0.049 4.186 4.120 0.030 0.000 0.306 75 V C -1.444 174.674 176.094 0.040 0.000 1.052 75 V CA -1.043 61.276 62.300 0.030 0.000 0.885 75 V CB 3.157 34.997 31.823 0.027 0.000 0.999 75 V HN -0.817 7.414 8.190 0.011 -0.034 0.424 76 V N 7.657 127.592 119.914 0.036 0.000 2.405 76 V HA -0.181 4.183 4.120 0.034 -0.224 0.264 76 V C 0.160 176.254 176.094 -0.001 0.000 1.048 76 V CA 0.666 62.975 62.300 0.016 0.000 0.966 76 V CB -0.167 31.647 31.823 -0.015 0.000 1.015 76 V HN 0.312 8.522 8.190 0.032 0.000 0.477 77 E N 8.028 128.230 120.200 0.002 0.000 2.489 77 E HA 0.120 4.472 4.350 0.003 0.000 0.204 77 E C -0.198 176.396 176.600 -0.010 0.000 1.006 77 E CA -0.405 55.997 56.400 0.003 0.000 0.936 77 E CB 0.690 30.402 29.700 0.020 0.000 1.002 77 E HN 0.479 9.311 8.360 0.008 -0.467 0.488 78 G N 0.114 108.897 108.800 -0.029 0.000 2.617 78 G HA2 -0.233 3.689 3.960 -0.063 0.000 0.686 78 G HA3 -0.233 3.710 3.960 -0.028 0.000 0.686 78 G C -1.684 173.198 174.900 -0.030 0.000 1.214 78 G CA -0.717 44.359 45.100 -0.040 0.000 0.796 78 G HN -0.447 8.090 8.290 -0.038 -0.270 0.654 79 N N -4.000 114.676 118.700 -0.040 0.000 2.962 79 N HA -0.281 4.445 4.740 -0.024 0.000 0.206 79 N C -0.948 174.543 175.510 -0.030 0.000 0.907 79 N CA 1.361 54.397 53.050 -0.023 0.000 1.029 79 N CB -0.300 38.189 38.487 0.003 0.000 1.009 79 N HN 0.154 8.502 8.380 -0.054 0.000 0.587 80 E N -0.905 119.253 120.200 -0.070 0.000 2.373 80 E HA 0.120 4.710 4.350 0.016 -0.231 0.267 80 E C -0.122 176.374 176.600 -0.175 0.000 1.032 80 E CA 0.742 57.086 56.400 -0.093 0.000 0.889 80 E CB 0.402 29.966 29.700 -0.225 0.000 0.984 80 E HN -0.196 8.008 8.360 -0.086 0.104 0.425 81 Q N 2.103 121.871 119.800 -0.053 0.000 2.292 81 Q HA 0.273 4.533 4.340 -0.135 0.000 0.270 81 Q C -1.507 174.606 176.000 0.188 0.000 1.024 81 Q CA -1.185 54.600 55.803 -0.030 0.000 0.768 81 Q CB 2.976 31.724 28.738 0.015 0.000 1.250 81 Q HN 0.280 8.595 8.270 0.075 0.000 0.447 82 F N 3.541 123.471 119.950 -0.034 0.000 2.402 82 F HA 0.455 5.133 4.527 -0.050 -0.181 0.355 82 F C -0.172 175.604 175.800 -0.041 0.000 1.123 82 F CA -2.967 55.007 58.000 -0.044 0.000 1.021 82 F CB 1.020 39.992 39.000 -0.046 0.000 1.160 82 F HN 0.378 8.675 8.300 -0.004 0.000 0.451 83 I N 4.100 124.747 120.570 0.130 0.000 2.582 83 I HA 0.238 4.436 4.170 0.047 0.000 0.292 83 I C -1.274 174.844 176.117 0.001 0.000 1.066 83 I CA -1.381 59.947 61.300 0.045 0.000 1.053 83 I CB 4.139 42.150 38.000 0.018 0.000 1.241 83 I HN 0.851 9.127 8.210 0.111 0.000 0.421 84 S N 5.603 121.295 115.700 -0.012 0.000 2.585 84 S HA 0.043 4.488 4.470 -0.042 0.000 0.273 84 S C -0.452 174.116 174.600 -0.054 0.000 1.339 84 S CA 0.857 59.036 58.200 -0.035 0.000 1.028 84 S CB 0.891 64.072 63.200 -0.032 0.000 0.906 84 S HN 0.455 8.763 8.310 -0.004 0.000 0.528 85 A N 2.895 125.680 122.820 -0.059 0.000 2.354 85 A HA 0.212 4.575 4.320 -0.096 -0.101 0.269 85 A C -0.643 176.895 177.584 -0.076 0.000 1.109 85 A CA -0.530 51.463 52.037 -0.074 0.000 0.800 85 A CB 0.891 19.860 19.000 -0.051 0.000 1.045 85 A HN -0.200 7.918 8.150 -0.054 0.000 0.489 86 S N 2.680 118.314 115.700 -0.109 0.000 2.427 86 S HA 0.067 4.498 4.470 -0.066 0.000 0.224 86 S C 0.471 175.033 174.600 -0.063 0.000 1.047 86 S CA 1.207 59.353 58.200 -0.091 0.000 0.953 86 S CB 0.949 64.072 63.200 -0.128 0.000 0.824 86 S HN 0.827 8.927 8.310 -0.157 0.116 0.502 87 K N 0.076 120.431 120.400 -0.076 0.000 2.551 87 K HA 0.283 4.623 4.320 0.034 0.000 0.269 87 K C -2.311 174.315 176.600 0.043 0.000 0.949 87 K CA -0.686 55.601 56.287 0.001 0.000 0.849 87 K CB 3.438 35.945 32.500 0.012 0.000 1.411 87 K HN -0.763 7.405 8.250 -0.137 0.000 0.432 88 S N 1.244 117.025 115.700 0.136 0.000 2.482 88 S HA 0.715 5.447 4.470 0.176 -0.157 0.303 88 S C -0.879 173.840 174.600 0.199 0.000 1.091 88 S CA -0.454 57.870 58.200 0.207 0.000 1.057 88 S CB 2.552 65.959 63.200 0.346 0.000 1.031 88 S HN 0.182 8.586 8.310 0.156 0.000 0.485 89 I N 7.022 127.720 120.570 0.213 0.000 2.437 89 I HA 0.121 4.371 4.170 0.134 0.000 0.279 89 I C -1.656 174.593 176.117 0.220 0.000 1.028 89 I CA -0.752 60.665 61.300 0.196 0.000 1.142 89 I CB 1.985 40.117 38.000 0.220 0.000 1.266 89 I HN 1.078 9.328 8.210 0.243 0.106 0.461 90 V N 7.912 127.885 119.914 0.099 0.000 2.583 90 V HA -0.139 4.014 4.120 0.056 0.000 0.287 90 V C -0.302 175.870 176.094 0.130 0.000 1.051 90 V CA -0.533 61.793 62.300 0.043 0.000 1.010 90 V CB 0.844 32.587 31.823 -0.134 0.000 0.988 90 V HN 0.383 8.584 8.190 0.018 0.000 0.478 91 H N 8.822 127.879 119.070 -0.021 0.000 3.034 91 H HA -0.061 4.379 4.556 -0.192 0.000 0.324 91 H C -0.289 175.022 175.328 -0.027 0.000 1.015 91 H CA 0.365 56.290 56.048 -0.205 0.000 1.429 91 H CB 1.555 31.014 29.762 -0.506 0.000 1.429 91 H HN -0.106 8.213 8.280 0.065 0.000 0.585 92 P HA -0.091 4.345 4.420 0.026 0.000 0.219 92 P C -0.471 176.887 177.300 0.097 0.000 1.146 92 P CA 1.464 64.548 63.100 -0.027 0.000 0.808 92 P CB 0.341 32.001 31.700 -0.068 0.000 0.779 93 S N -3.731 112.139 115.700 0.283 0.000 2.582 93 S HA 0.032 4.567 4.470 0.108 0.000 0.234 93 S C -0.503 174.198 174.600 0.168 0.000 0.961 93 S CA 0.016 58.344 58.200 0.214 0.000 0.953 93 S CB 0.487 63.804 63.200 0.196 0.000 0.800 93 S HN -0.375 8.219 8.310 0.534 0.037 0.471 94 Y N 3.629 123.981 120.300 0.086 0.000 2.610 94 Y HA -0.319 4.388 4.550 -0.045 -0.184 0.332 94 Y C -0.837 175.056 175.900 -0.012 0.000 1.201 94 Y CA 0.858 58.959 58.100 0.002 0.000 1.465 94 Y CB 0.814 39.280 38.460 0.010 0.000 1.283 94 Y HN -0.698 7.618 8.280 0.355 0.178 0.563 95 N N 7.308 125.614 118.700 -0.656 0.000 2.518 95 N HA 0.213 4.662 4.740 -0.485 0.000 0.254 95 N C -0.278 174.686 175.510 -0.909 0.000 0.979 95 N CA -1.188 51.502 53.050 -0.599 0.000 0.930 95 N CB 1.577 39.886 38.487 -0.296 0.000 1.152 95 N HN -0.172 7.934 8.380 -0.458 0.000 0.505 96 S N 6.446 121.611 115.700 -0.893 0.000 2.555 96 S HA -0.095 4.001 4.470 -0.624 0.000 0.230 96 S C 0.665 175.082 174.600 -0.305 0.000 0.978 96 S CA 2.059 59.924 58.200 -0.558 0.000 0.934 96 S CB -0.198 62.875 63.200 -0.212 0.000 0.766 96 S HN 0.629 8.519 8.310 -0.699 0.000 0.533 97 N N 1.964 120.487 118.700 -0.294 0.000 2.336 97 N HA 0.048 4.666 4.740 -0.204 0.000 0.177 97 N C 1.053 176.399 175.510 -0.273 0.000 1.018 97 N CA 2.286 55.198 53.050 -0.229 0.000 0.878 97 N CB 0.768 39.150 38.487 -0.176 0.000 0.997 97 N HN 0.366 8.798 8.380 -0.327 -0.248 0.433 98 T N -4.073 110.314 114.554 -0.279 0.000 3.022 98 T HA 0.084 4.228 4.350 -0.344 0.000 0.250 98 T C 0.184 174.687 174.700 -0.328 0.000 1.060 98 T CA 0.316 62.241 62.100 -0.293 0.000 1.013 98 T CB 1.632 70.386 68.868 -0.190 0.000 0.982 98 T HN -0.288 8.083 8.240 -0.278 -0.298 0.508 99 L N -3.580 117.481 121.223 -0.271 0.000 4.291 99 L HA -0.516 3.917 4.340 0.036 -0.071 0.413 99 L C -1.852 175.045 176.870 0.044 0.000 1.162 99 L CA 0.504 55.293 54.840 -0.085 0.000 0.961 99 L CB -2.600 39.342 42.059 -0.194 0.000 2.095 99 L HN -0.045 7.952 8.230 -0.312 0.046 0.838 100 N N -0.984 117.696 118.700 -0.032 0.000 2.518 100 N HA -0.158 4.629 4.740 0.079 0.000 0.266 100 N C 0.012 175.562 175.510 0.066 0.000 1.196 100 N CA 0.718 53.785 53.050 0.028 0.000 0.947 100 N CB 1.133 39.608 38.487 -0.019 0.000 1.098 100 N HN -0.693 7.562 8.380 -0.128 0.049 0.450 101 N N -0.977 117.761 118.700 0.062 0.000 2.756 101 N HA -0.469 4.206 4.740 -0.109 0.000 0.248 101 N C -1.369 174.125 175.510 -0.026 0.000 1.062 101 N CA 1.391 54.386 53.050 -0.090 0.000 0.696 101 N CB -1.541 36.772 38.487 -0.290 0.000 0.946 101 N HN 0.629 9.071 8.380 0.103 0.000 0.548 102 D N -1.008 119.418 120.400 0.044 0.000 2.551 102 D HA 0.058 4.718 4.640 0.033 0.000 0.223 102 D C -1.675 174.545 176.300 -0.134 0.000 1.144 102 D CA -0.389 53.639 54.000 0.047 0.000 1.025 102 D CB -0.746 40.178 40.800 0.206 0.000 1.085 102 D HN -0.139 8.269 8.370 0.062 0.000 0.506 103 I N 2.285 122.712 120.570 -0.238 0.000 2.827 103 I HA 0.558 4.823 4.170 -0.128 -0.171 0.298 103 I C -3.066 173.006 176.117 -0.076 0.000 1.235 103 I CA -1.448 59.731 61.300 -0.200 0.000 1.021 103 I CB 4.174 41.922 38.000 -0.420 0.000 1.259 103 I HN -0.020 8.000 8.210 -0.245 0.043 0.427 104 M N 6.426 126.052 119.600 0.043 0.000 2.470 104 M HA 0.727 5.512 4.480 0.228 -0.168 0.285 104 M C -2.797 173.635 176.300 0.220 0.000 1.213 104 M CA -1.012 54.378 55.300 0.151 0.000 0.901 104 M CB 4.844 37.487 32.600 0.073 0.000 1.718 104 M HN 0.482 8.794 8.290 0.036 0.000 0.469 105 L N 2.997 124.390 121.223 0.283 0.000 2.334 105 L HA 0.883 5.559 4.340 0.275 -0.172 0.276 105 L C -1.321 175.748 176.870 0.332 0.000 1.014 105 L CA -1.481 53.545 54.840 0.309 0.000 0.815 105 L CB 3.289 45.507 42.059 0.266 0.000 1.268 105 L HN 0.548 8.966 8.230 0.314 0.000 0.428 106 I N 0.628 121.382 120.570 0.307 0.000 2.498 106 I HA 0.574 4.983 4.170 0.110 -0.172 0.290 106 I C -1.663 174.413 176.117 -0.068 0.000 1.032 106 I CA -1.393 59.980 61.300 0.122 0.000 1.073 106 I CB 3.259 41.300 38.000 0.068 0.000 1.251 106 I HN 1.011 9.429 8.210 0.345 0.000 0.426 107 K N 6.582 126.749 120.400 -0.389 0.000 2.185 107 K HA 0.670 4.355 4.320 -1.327 -0.162 0.269 107 K C -1.038 175.281 176.600 -0.467 0.000 0.987 107 K CA -1.867 53.850 56.287 -0.951 0.000 0.865 107 K CB 3.006 34.779 32.500 -1.211 0.000 1.090 107 K HN 0.733 8.843 8.250 -0.234 0.000 0.450 108 L N 4.737 125.709 121.223 -0.418 0.000 2.418 108 L HA 0.227 4.588 4.340 -0.164 -0.120 0.265 108 L C 1.737 178.489 176.870 -0.198 0.000 1.143 108 L CA -0.024 54.685 54.840 -0.219 0.000 0.809 108 L CB 0.440 42.411 42.059 -0.146 0.000 1.124 108 L HN 0.880 8.677 8.230 -0.544 0.106 0.456 109 K N 2.610 122.935 120.400 -0.125 0.000 2.097 109 K HA -0.312 3.944 4.320 -0.107 0.000 0.205 109 K C -0.566 175.986 176.600 -0.081 0.000 1.050 109 K CA 2.535 58.765 56.287 -0.094 0.000 0.938 109 K CB 0.472 32.935 32.500 -0.060 0.000 0.718 109 K HN 0.568 8.758 8.250 -0.101 0.000 0.442 110 S N -3.848 111.811 115.700 -0.069 0.000 2.632 110 S HA 0.155 4.594 4.470 -0.052 0.000 0.289 110 S C -1.679 172.892 174.600 -0.050 0.000 1.115 110 S CA -1.092 57.078 58.200 -0.050 0.000 0.889 110 S CB 2.821 66.003 63.200 -0.029 0.000 1.116 110 S HN -0.476 7.795 8.310 -0.065 0.000 0.486 111 A N -0.044 122.755 122.820 -0.034 0.000 2.351 111 A HA 0.054 4.478 4.320 -0.033 -0.124 0.257 111 A C -0.325 177.256 177.584 -0.006 0.000 1.087 111 A CA -0.396 51.629 52.037 -0.020 0.000 0.798 111 A CB 0.503 19.502 19.000 -0.002 0.000 1.033 111 A HN 0.200 8.333 8.150 -0.028 0.000 0.488 112 A N 0.503 123.327 122.820 0.007 0.000 2.286 112 A HA 0.223 4.622 4.320 0.011 -0.073 0.286 112 A C -0.594 177.001 177.584 0.019 0.000 1.097 112 A CA -1.310 50.737 52.037 0.016 0.000 0.821 112 A CB 1.513 20.532 19.000 0.031 0.000 1.076 112 A HN 0.325 8.373 8.150 0.010 0.108 0.490 113 S N 0.794 116.503 115.700 0.016 0.000 2.430 113 S HA 0.109 4.588 4.470 0.016 0.000 0.289 113 S C -0.633 173.981 174.600 0.023 0.000 1.143 113 S CA -0.506 57.703 58.200 0.015 0.000 1.067 113 S CB 0.493 63.696 63.200 0.005 0.000 0.964 113 S HN 0.026 8.680 8.310 0.013 -0.336 0.485 114 L N 6.326 127.566 121.223 0.029 0.000 2.350 114 L HA 0.208 4.699 4.340 0.041 -0.126 0.275 114 L C -0.463 176.425 176.870 0.030 0.000 1.099 114 L CA -0.304 54.558 54.840 0.037 0.000 0.808 114 L CB 0.489 42.575 42.059 0.044 0.000 1.149 114 L HN 0.231 8.478 8.230 0.027 0.000 0.442 115 N N 3.989 122.708 118.700 0.032 0.000 3.522 115 N HA 0.214 4.969 4.740 0.025 0.000 0.328 115 N C -1.228 174.301 175.510 0.032 0.000 1.623 115 N CA -0.655 52.411 53.050 0.027 0.000 0.812 115 N CB 1.217 39.716 38.487 0.019 0.000 2.008 115 N HN 0.563 8.858 8.380 0.039 0.108 0.601 116 S N -2.581 113.135 115.700 0.027 0.000 2.428 116 S HA -0.233 4.259 4.470 0.036 0.000 0.230 116 S C 0.636 175.254 174.600 0.031 0.000 1.014 116 S CA 2.612 60.830 58.200 0.030 0.000 0.957 116 S CB -0.043 63.171 63.200 0.024 0.000 0.784 116 S HN 0.069 8.392 8.310 0.022 0.000 0.499 117 R N -0.924 119.592 120.500 0.027 0.000 2.210 117 R HA 0.094 4.446 4.340 0.020 0.000 0.203 117 R C -1.165 175.154 176.300 0.031 0.000 1.010 117 R CA 0.241 56.355 56.100 0.024 0.000 1.008 117 R CB 0.947 31.259 30.300 0.019 0.000 0.923 117 R HN -0.118 8.397 8.270 0.024 -0.231 0.469 118 V N -1.846 118.092 119.914 0.040 0.000 2.443 118 V HA 0.262 4.603 4.120 0.056 -0.187 0.293 118 V C -2.144 173.990 176.094 0.068 0.000 1.021 118 V CA -1.049 61.283 62.300 0.054 0.000 0.848 118 V CB 2.656 34.508 31.823 0.048 0.000 0.998 118 V HN -0.417 7.902 8.190 0.037 -0.107 0.424 119 A N 6.543 129.421 122.820 0.097 0.000 2.587 119 A HA 0.598 4.971 4.320 0.088 0.000 0.293 119 A C -3.081 174.596 177.584 0.156 0.000 1.087 119 A CA -1.352 50.753 52.037 0.113 0.000 0.692 119 A CB 2.880 21.949 19.000 0.114 0.000 1.291 119 A HN 0.226 8.321 8.150 0.106 0.119 0.407 120 S N -1.490 114.284 115.700 0.123 0.000 2.693 120 S HA 0.563 5.273 4.470 0.159 -0.145 0.276 120 S C -0.685 173.960 174.600 0.076 0.000 1.192 120 S CA -0.727 57.544 58.200 0.119 0.000 0.994 120 S CB 1.651 64.902 63.200 0.086 0.000 1.012 120 S HN -0.015 8.352 8.310 0.095 0.000 0.550 121 I N 0.281 120.851 120.570 -0.000 0.000 2.648 121 I HA 0.262 4.343 4.170 -0.148 0.000 0.304 121 I C -1.229 174.834 176.117 -0.091 0.000 1.009 121 I CA -1.612 59.588 61.300 -0.168 0.000 1.114 121 I CB 4.113 41.800 38.000 -0.522 0.000 1.293 121 I HN 0.279 8.508 8.210 0.032 0.000 0.449 122 S N 5.495 121.139 115.700 -0.094 0.000 2.584 122 S HA 0.245 4.697 4.470 -0.029 0.000 0.273 122 S C -0.723 173.848 174.600 -0.048 0.000 1.311 122 S CA -0.372 57.797 58.200 -0.051 0.000 1.034 122 S CB 0.887 64.062 63.200 -0.041 0.000 0.939 122 S HN 0.187 8.425 8.310 -0.121 0.000 0.513 123 L N 2.585 123.795 121.223 -0.021 0.000 2.418 123 L HA 0.187 4.529 4.340 0.003 0.000 0.265 123 L C -1.166 175.700 176.870 -0.006 0.000 1.143 123 L CA -1.936 52.904 54.840 -0.001 0.000 0.809 123 L CB 0.266 42.333 42.059 0.013 0.000 1.124 123 L HN 0.238 8.459 8.230 -0.016 0.000 0.456 124 P HA 0.115 4.524 4.420 -0.018 0.000 0.276 124 P C -1.250 176.049 177.300 -0.002 0.000 1.252 124 P CA -0.674 62.421 63.100 -0.007 0.000 0.802 124 P CB 0.817 32.512 31.700 -0.009 0.000 1.035 128 c N 0.540 119.112 118.600 -0.045 0.000 2.500 128 c HA 0.083 4.611 4.570 -0.070 0.000 0.367 128 c C -0.031 173.998 174.090 -0.102 0.000 1.283 128 c CA -0.693 55.593 56.329 -0.072 0.000 2.456 128 c CB 0.558 43.029 42.510 -0.065 0.000 2.457 128 c HN -0.029 8.178 8.230 -0.039 0.000 0.632 129 A N 0.776 123.498 122.820 -0.162 0.000 2.293 129 A HA 0.114 4.361 4.320 -0.122 0.000 0.302 129 A C -0.820 176.662 177.584 -0.170 0.000 1.119 129 A CA -0.413 51.521 52.037 -0.171 0.000 0.823 129 A CB 1.247 20.110 19.000 -0.227 0.000 1.097 129 A HN 0.242 8.266 8.150 -0.210 0.000 0.491 133 G N 1.099 109.863 108.800 -0.060 0.000 2.199 133 G HA2 -0.351 3.576 3.960 -0.055 0.000 0.254 133 G HA3 -0.351 3.583 3.960 -0.043 0.000 0.254 133 G C -0.033 174.830 174.900 -0.061 0.000 0.982 133 G CA 0.197 45.265 45.100 -0.054 0.000 0.632 133 G HN 0.798 8.936 8.290 -0.062 0.115 0.529 134 T N 2.882 117.388 114.554 -0.080 0.000 2.916 134 T HA -0.179 4.134 4.350 -0.062 0.000 0.303 134 T C -1.170 173.486 174.700 -0.073 0.000 1.025 134 T CA 2.452 64.504 62.100 -0.080 0.000 1.142 134 T CB 0.789 69.591 68.868 -0.111 0.000 0.947 134 T HN -0.543 7.563 8.240 -0.094 0.077 0.544 135 Q N 5.699 125.470 119.800 -0.049 0.000 2.243 135 Q HA 0.272 4.715 4.340 -0.040 -0.128 0.252 135 Q C -0.863 175.120 176.000 -0.028 0.000 0.909 135 Q CA 0.191 55.976 55.803 -0.030 0.000 0.922 135 Q CB 1.660 30.396 28.738 -0.004 0.000 1.215 135 Q HN 0.202 8.448 8.270 -0.041 0.000 0.427 136 c N 3.216 121.802 118.600 -0.023 0.000 2.971 136 c HA 0.652 5.332 4.570 -0.012 -0.118 0.310 136 c C -1.826 172.275 174.090 0.019 0.000 1.285 136 c CA -1.623 54.696 56.329 -0.017 0.000 1.593 136 c CB 4.178 46.657 42.510 -0.052 0.000 2.076 136 c HN 0.906 9.010 8.230 -0.024 0.112 0.472 137 L N 1.024 122.267 121.223 0.033 0.000 2.313 137 L HA 0.821 5.371 4.340 0.071 -0.167 0.283 137 L C -2.213 174.681 176.870 0.040 0.000 1.013 137 L CA -1.344 53.532 54.840 0.060 0.000 0.816 137 L CB 3.057 45.172 42.059 0.094 0.000 1.236 137 L HN 0.734 8.871 8.230 0.025 0.108 0.419 138 I N 7.611 128.191 120.570 0.016 0.000 2.433 138 I HA 0.854 5.272 4.170 0.025 -0.233 0.292 138 I C -1.321 174.769 176.117 -0.045 0.000 1.001 138 I CA -1.494 59.809 61.300 0.006 0.000 1.119 138 I CB 2.377 40.388 38.000 0.017 0.000 1.289 138 I HN 0.961 9.185 8.210 0.023 0.000 0.438 139 S N 3.189 118.854 115.700 -0.058 0.000 2.588 139 S HA 1.073 5.582 4.470 -0.228 -0.176 0.275 139 S C -1.081 173.404 174.600 -0.191 0.000 1.130 139 S CA -1.847 56.241 58.200 -0.187 0.000 0.855 139 S CB 3.762 66.811 63.200 -0.252 0.000 1.116 139 S HN -0.213 8.095 8.310 -0.003 0.000 0.472 140 G N -0.992 107.603 108.800 -0.342 0.000 2.316 140 G HA2 0.144 3.882 3.960 -0.370 0.000 0.296 140 G HA3 0.144 4.214 3.960 -0.048 -0.138 0.296 140 G C -2.429 172.264 174.900 -0.344 0.000 1.399 140 G CA 0.562 45.493 45.100 -0.282 0.000 0.833 140 G HN 0.311 8.337 8.290 -0.440 0.000 0.565 141 W N 1.015 122.261 121.300 -0.089 0.000 3.015 141 W HA 0.374 4.976 4.660 -0.096 0.000 0.429 141 W C -0.327 176.228 176.519 0.061 0.000 0.976 141 W CA -1.031 56.222 57.345 -0.153 0.000 2.086 141 W CB 0.169 29.296 29.460 -0.554 0.000 1.125 141 W HN 0.577 8.934 8.180 0.294 0.000 0.721 142 G N 0.736 109.712 108.800 0.292 0.000 2.588 142 G HA2 -0.027 4.263 3.960 0.535 0.000 0.281 142 G HA3 -0.027 4.269 3.960 0.277 -0.170 0.281 142 G C -1.008 174.010 174.900 0.197 0.000 1.236 142 G CA -0.824 44.484 45.100 0.347 0.000 0.969 142 G HN -0.369 8.182 8.290 0.181 -0.152 0.504 143 N N -0.288 118.453 118.700 0.069 0.000 2.353 143 N HA -0.289 4.246 4.740 -0.671 -0.197 0.248 143 N C 0.899 176.331 175.510 -0.130 0.000 1.240 143 N CA 1.054 53.920 53.050 -0.306 0.000 0.862 143 N CB 0.599 38.893 38.487 -0.322 0.000 1.086 143 N HN 0.063 8.580 8.380 0.228 0.000 0.453 144 T N 0.225 114.686 114.554 -0.156 0.000 3.054 144 T HA 0.195 4.661 4.350 -0.047 -0.145 0.255 144 T C 0.274 174.934 174.700 -0.066 0.000 1.035 144 T CA 0.410 62.465 62.100 -0.075 0.000 0.941 144 T CB 1.422 70.257 68.868 -0.054 0.000 1.026 144 T HN 0.461 8.556 8.240 -0.242 0.000 0.533 145 K N 2.243 122.588 120.400 -0.092 0.000 2.259 145 K HA 0.283 4.579 4.320 -0.039 0.000 0.252 145 K C -0.442 176.134 176.600 -0.041 0.000 0.936 145 K CA -1.116 55.136 56.287 -0.060 0.000 0.810 145 K CB 2.637 35.097 32.500 -0.067 0.000 1.143 145 K HN -0.511 7.903 8.250 -0.145 -0.250 0.427 146 S N 0.931 116.621 115.700 -0.017 0.000 2.456 146 S HA -0.041 4.432 4.470 0.006 0.000 0.224 146 S C 0.223 174.825 174.600 0.003 0.000 1.035 146 S CA 1.802 60.002 58.200 0.001 0.000 0.940 146 S CB 0.856 64.062 63.200 0.010 0.000 0.799 146 S HN 0.175 8.475 8.310 -0.016 0.000 0.508 147 S N 1.274 116.972 115.700 -0.003 0.000 2.222 147 S HA 0.160 4.635 4.470 0.007 0.000 0.173 147 S C -0.612 173.985 174.600 -0.005 0.000 1.466 147 S CA -0.164 58.037 58.200 0.001 0.000 1.184 147 S CB -0.878 62.324 63.200 0.003 0.000 1.168 147 S HN -0.403 7.902 8.310 -0.008 0.000 0.475 148 G N 1.519 110.313 108.800 -0.010 0.000 2.361 148 G HA2 -0.182 3.779 3.960 0.001 0.000 0.331 148 G HA3 -0.182 3.770 3.960 -0.014 0.000 0.331 148 G C -2.734 172.139 174.900 -0.046 0.000 1.324 148 G CA -0.535 44.557 45.100 -0.014 0.000 0.984 148 G HN -0.571 7.714 8.290 -0.007 0.000 0.586 149 T N -3.990 110.533 114.554 -0.051 0.000 2.807 149 T HA 0.110 4.495 4.350 -0.257 -0.190 0.279 149 T C -1.383 173.209 174.700 -0.180 0.000 0.993 149 T CA -1.655 60.353 62.100 -0.153 0.000 0.970 149 T CB 2.012 70.882 68.868 0.003 0.000 0.950 149 T HN -0.162 8.068 8.240 -0.016 0.000 0.441 150 S N 3.616 119.101 115.700 -0.358 0.000 2.689 150 S HA 0.226 4.665 4.470 -0.052 0.000 0.274 150 S C -2.251 172.151 174.600 -0.330 0.000 1.176 150 S CA -0.249 57.842 58.200 -0.182 0.000 1.014 150 S CB 1.345 64.488 63.200 -0.095 0.000 1.071 150 S HN 0.646 8.996 8.310 -0.568 -0.381 0.478 151 Y N 5.427 125.766 120.300 0.065 0.000 2.341 151 Y HA 0.285 4.891 4.550 0.094 0.000 0.337 151 Y C -1.002 174.946 175.900 0.079 0.000 1.014 151 Y CA -2.909 55.242 58.100 0.086 0.000 1.111 151 Y CB 1.259 39.780 38.460 0.101 0.000 1.194 151 Y HN 0.133 8.532 8.280 0.200 0.000 0.462 152 P HA 0.296 4.791 4.420 0.126 0.000 0.280 152 P C -1.609 175.817 177.300 0.209 0.000 1.272 152 P CA -1.147 62.054 63.100 0.168 0.000 0.819 152 P CB 1.976 33.747 31.700 0.119 0.000 1.122 153 D N -2.585 117.914 120.400 0.165 0.000 2.262 153 D HA -0.022 4.682 4.640 0.107 0.000 0.212 153 D C -0.679 175.769 176.300 0.247 0.000 0.964 153 D CA 1.775 55.862 54.000 0.145 0.000 0.875 153 D CB 0.858 41.712 40.800 0.091 0.000 0.996 153 D HN 0.389 8.837 8.370 0.130 0.000 0.497 154 V N -7.805 112.249 119.914 0.232 0.000 3.093 154 V HA 0.627 5.254 4.120 0.425 -0.252 0.320 154 V C -0.807 175.340 176.094 0.088 0.000 1.093 154 V CA -2.898 59.554 62.300 0.254 0.000 1.016 154 V CB 2.109 33.997 31.823 0.108 0.000 1.096 154 V HN -0.936 7.348 8.190 0.157 0.000 0.452 155 L N 1.433 122.577 121.223 -0.132 0.000 2.455 155 L HA -0.047 3.471 4.340 -1.370 0.000 0.272 155 L C -0.261 176.340 176.870 -0.449 0.000 1.174 155 L CA 0.731 55.129 54.840 -0.737 0.000 0.869 155 L CB 0.608 42.200 42.059 -0.779 0.000 1.130 155 L HN -0.136 8.317 8.230 0.076 -0.178 0.474 156 K N 5.699 125.811 120.400 -0.480 0.000 2.156 156 K HA 0.673 4.946 4.320 -0.359 -0.169 0.254 156 K C -1.176 175.157 176.600 -0.446 0.000 0.950 156 K CA -2.575 53.488 56.287 -0.374 0.000 0.849 156 K CB 2.218 34.570 32.500 -0.246 0.000 1.100 156 K HN -0.238 7.649 8.250 -0.605 0.000 0.434 157 c N 0.070 118.301 118.600 -0.615 0.000 2.561 157 c HA 0.961 5.462 4.570 -0.411 -0.177 0.319 157 c C -1.825 171.904 174.090 -0.601 0.000 1.198 157 c CA -0.695 55.220 56.329 -0.690 0.000 1.665 157 c CB 3.392 45.298 42.510 -1.006 0.000 2.258 157 c HN 0.871 8.559 8.230 -0.724 0.107 0.493 158 L N 0.859 121.959 121.223 -0.205 0.000 2.493 158 L HA 0.401 4.830 4.340 0.148 0.000 0.265 158 L C -2.448 174.512 176.870 0.151 0.000 0.954 158 L CA -0.094 54.776 54.840 0.050 0.000 0.844 158 L CB 4.476 46.568 42.059 0.055 0.000 1.302 158 L HN 1.025 9.161 8.230 -0.156 0.000 0.405 159 K N 6.175 126.725 120.400 0.251 0.000 2.183 159 K HA 0.872 5.495 4.320 0.145 -0.216 0.274 159 K C -0.881 175.859 176.600 0.233 0.000 1.009 159 K CA -1.448 54.959 56.287 0.200 0.000 0.888 159 K CB 1.213 33.827 32.500 0.191 0.000 1.078 159 K HN 0.311 8.748 8.250 0.311 0.000 0.459 160 A N 3.887 126.777 122.820 0.117 0.000 2.549 160 A HA 0.650 4.976 4.320 0.010 0.000 0.297 160 A C -3.435 174.091 177.584 -0.097 0.000 1.061 160 A CA -2.613 49.425 52.037 0.003 0.000 0.690 160 A CB 3.124 22.125 19.000 0.002 0.000 1.287 160 A HN 0.966 9.156 8.150 0.066 0.000 0.402 161 P HA 0.767 5.342 4.420 -0.096 -0.213 0.282 161 P C -1.096 176.136 177.300 -0.113 0.000 1.259 161 P CA -1.519 61.495 63.100 -0.143 0.000 0.826 161 P CB 1.614 33.226 31.700 -0.147 0.000 1.064 162 I N 0.057 120.580 120.570 -0.079 0.000 2.474 162 I HA 0.019 4.358 4.170 0.080 -0.121 0.287 162 I C 0.133 176.239 176.117 -0.018 0.000 1.048 162 I CA 0.293 61.579 61.300 -0.024 0.000 1.383 162 I CB 0.442 38.349 38.000 -0.156 0.000 1.412 162 I HN 0.065 8.218 8.210 -0.094 0.000 0.531 163 L N 6.383 127.630 121.223 0.040 0.000 2.431 163 L HA 0.288 4.620 4.340 -0.013 0.000 0.260 163 L C 0.009 176.898 176.870 0.032 0.000 1.098 163 L CA -1.038 53.814 54.840 0.020 0.000 0.800 163 L CB 0.683 42.762 42.059 0.034 0.000 1.210 163 L HN 0.384 8.573 8.230 0.117 0.112 0.465 164 S N -1.459 114.252 115.700 0.018 0.000 2.593 164 S HA -0.103 4.374 4.470 0.012 0.000 0.269 164 S C 0.464 175.090 174.600 0.043 0.000 1.334 164 S CA -0.730 57.482 58.200 0.020 0.000 1.015 164 S CB 1.691 64.898 63.200 0.010 0.000 0.912 164 S HN -0.097 8.218 8.310 0.010 0.000 0.541 165 D N 1.592 122.019 120.400 0.044 0.000 2.178 165 D HA -0.229 4.462 4.640 0.084 0.000 0.201 165 D C 1.489 177.822 176.300 0.054 0.000 0.980 165 D CA 3.540 57.577 54.000 0.061 0.000 0.842 165 D CB -0.390 40.441 40.800 0.053 0.000 0.948 165 D HN 0.594 8.982 8.370 0.031 0.000 0.472 166 S N -1.294 114.428 115.700 0.038 0.000 2.368 166 S HA -0.261 4.230 4.470 0.036 0.000 0.224 166 S C 2.067 176.686 174.600 0.031 0.000 1.029 166 S CA 3.236 61.455 58.200 0.032 0.000 0.988 166 S CB -0.794 62.418 63.200 0.020 0.000 0.838 166 S HN 0.016 8.325 8.310 0.030 0.019 0.462 167 S N 3.791 119.507 115.700 0.028 0.000 2.383 167 S HA -0.230 4.246 4.470 0.010 0.000 0.227 167 S C 1.854 176.473 174.600 0.031 0.000 1.026 167 S CA 4.156 62.368 58.200 0.020 0.000 0.981 167 S CB -0.120 63.089 63.200 0.015 0.000 0.818 167 S HN -0.555 7.772 8.310 0.028 0.000 0.472 168 c N 3.370 122.008 118.600 0.062 0.000 2.432 168 c HA -0.307 4.332 4.570 0.116 0.000 0.277 168 c C 1.731 175.901 174.090 0.133 0.000 1.249 168 c CA 2.681 59.076 56.329 0.111 0.000 1.725 168 c CB -1.760 40.826 42.510 0.125 0.000 2.028 168 c HN -0.150 8.106 8.230 0.061 0.010 0.477 169 K N -0.936 119.526 120.400 0.104 0.000 2.148 169 K HA -0.319 4.093 4.320 0.154 0.000 0.204 169 K C 2.426 179.070 176.600 0.073 0.000 1.050 169 K CA 2.861 59.212 56.287 0.107 0.000 0.942 169 K CB -0.274 32.275 32.500 0.080 0.000 0.724 169 K HN 0.096 8.398 8.250 0.086 0.000 0.446 170 S N -1.117 114.605 115.700 0.037 0.000 2.383 170 S HA -0.230 4.247 4.470 0.012 0.000 0.227 170 S C 1.331 175.908 174.600 -0.039 0.000 1.026 170 S CA 2.680 60.883 58.200 0.004 0.000 0.981 170 S CB 0.035 63.233 63.200 -0.003 0.000 0.818 170 S HN -0.339 7.895 8.310 0.039 0.100 0.472 171 A N -0.600 122.171 122.820 -0.082 0.000 1.970 171 A HA -0.090 4.081 4.320 -0.249 0.000 0.216 171 A C -0.277 177.042 177.584 -0.443 0.000 1.170 171 A CA 1.920 53.782 52.037 -0.292 0.000 0.645 171 A CB 0.978 19.734 19.000 -0.407 0.000 0.816 171 A HN -0.532 7.484 8.150 -0.031 0.115 0.447 172 Y N -5.557 114.778 120.300 0.057 0.000 2.495 172 Y HA 0.503 5.123 4.550 0.117 0.000 0.362 172 Y C -2.392 173.567 175.900 0.099 0.000 0.956 172 Y CA -3.617 54.550 58.100 0.110 0.000 1.127 172 Y CB -0.237 38.328 38.460 0.176 0.000 1.173 172 Y HN -0.424 7.906 8.280 0.084 0.000 0.639 173 P HA -0.114 4.479 4.420 0.107 -0.109 0.262 173 P C 0.881 178.252 177.300 0.119 0.000 1.182 173 P CA 1.215 64.382 63.100 0.111 0.000 0.761 173 P CB 0.094 31.831 31.700 0.062 0.000 0.795 174 G N 3.693 112.552 108.800 0.099 0.000 2.189 174 G HA2 -0.372 3.624 3.960 0.060 0.000 0.267 174 G HA3 -0.372 3.623 3.960 0.058 0.000 0.267 174 G C 0.215 175.166 174.900 0.085 0.000 0.975 174 G CA 0.694 45.840 45.100 0.075 0.000 0.644 174 G HN 0.496 8.842 8.290 0.093 0.000 0.537 175 Q N -1.951 117.937 119.800 0.147 0.000 2.247 175 Q HA 0.078 4.451 4.340 0.056 0.000 0.211 175 Q C -0.585 175.546 176.000 0.217 0.000 0.861 175 Q CA -0.407 55.486 55.803 0.150 0.000 0.949 175 Q CB 1.296 30.161 28.738 0.211 0.000 1.115 175 Q HN -0.291 8.010 8.270 0.194 0.086 0.507 176 I N 0.406 121.096 120.570 0.199 0.000 2.321 176 I HA 0.067 4.371 4.170 0.224 0.000 0.291 176 I C -0.450 175.740 176.117 0.123 0.000 0.998 176 I CA -2.321 59.087 61.300 0.180 0.000 1.227 176 I CB -0.939 37.160 38.000 0.165 0.000 1.368 176 I HN -0.453 7.863 8.210 0.176 0.000 0.466 177 T N 2.717 117.341 114.554 0.116 0.000 2.910 177 T HA 0.371 4.760 4.350 0.064 0.000 0.279 177 T C 0.907 175.656 174.700 0.081 0.000 0.989 177 T CA -2.036 60.111 62.100 0.079 0.000 0.968 177 T CB 2.142 71.049 68.868 0.064 0.000 1.135 177 T HN -0.402 7.923 8.240 0.142 0.000 0.562 178 S N -2.039 113.694 115.700 0.056 0.000 2.555 178 S HA -0.154 4.352 4.470 0.060 0.000 0.230 178 S C 0.234 174.872 174.600 0.063 0.000 0.978 178 S CA 1.919 60.148 58.200 0.049 0.000 0.934 178 S CB -0.144 63.065 63.200 0.015 0.000 0.766 178 S HN 0.251 8.585 8.310 0.040 0.000 0.533 179 N N -0.194 118.556 118.700 0.083 0.000 2.251 179 N HA 0.185 4.992 4.740 0.111 0.000 0.217 179 N C -1.760 173.871 175.510 0.203 0.000 1.124 179 N CA -0.134 53.000 53.050 0.140 0.000 0.843 179 N CB 0.805 39.397 38.487 0.176 0.000 1.024 179 N HN -0.626 7.728 8.380 0.079 0.074 0.501 180 M N -1.242 118.461 119.600 0.172 0.000 2.593 180 M HA 0.875 5.633 4.480 0.095 -0.221 0.290 180 M C -2.366 174.052 176.300 0.197 0.000 1.244 180 M CA -0.425 54.953 55.300 0.129 0.000 0.857 180 M CB 5.259 37.909 32.600 0.083 0.000 1.738 180 M HN -0.745 7.546 8.290 0.151 0.089 0.461 181 F N -6.219 113.776 119.950 0.074 0.000 2.668 181 F HA 0.606 5.163 4.527 0.051 0.000 0.309 181 F C -2.866 172.989 175.800 0.092 0.000 1.117 181 F CA -1.547 56.494 58.000 0.069 0.000 0.951 181 F CB 2.317 41.355 39.000 0.063 0.000 1.323 181 F HN 0.130 8.287 8.300 -0.238 0.000 0.451 182 c N 0.067 118.829 118.600 0.269 0.000 2.391 182 c HA 0.999 5.817 4.570 0.069 -0.207 0.339 182 c C -1.103 173.179 174.090 0.319 0.000 1.205 182 c CA -1.101 55.338 56.329 0.183 0.000 1.937 182 c CB 2.708 45.295 42.510 0.128 0.000 2.341 182 c HN 0.948 9.375 8.230 0.327 0.000 0.516 183 A N 2.899 125.895 122.820 0.293 0.000 2.476 183 A HA 0.699 5.226 4.320 0.093 -0.152 0.280 183 A C -2.189 175.451 177.584 0.094 0.000 1.081 183 A CA -0.581 51.546 52.037 0.150 0.000 0.753 183 A CB 2.746 21.742 19.000 -0.007 0.000 1.248 183 A HN 0.441 8.799 8.150 0.347 0.000 0.424 184 Y N 2.964 123.299 120.300 0.058 0.000 2.436 184 Y HA -0.000 4.571 4.550 0.035 0.000 0.343 184 Y C 1.099 177.017 175.900 0.030 0.000 1.008 184 Y CA 0.058 58.182 58.100 0.039 0.000 1.241 184 Y CB 0.125 38.606 38.460 0.035 0.000 1.153 184 Y HN 0.382 8.791 8.280 0.214 0.000 0.521 185 L N 4.335 125.631 121.223 0.121 0.000 2.265 185 L HA -0.359 4.011 4.340 0.051 0.000 0.215 185 L C 1.188 178.104 176.870 0.075 0.000 1.117 185 L CA 2.368 57.249 54.840 0.069 0.000 0.782 185 L CB -0.460 41.620 42.059 0.034 0.000 0.914 185 L HN 0.521 8.805 8.230 0.091 0.000 0.441 186 E N -2.161 118.104 120.200 0.108 0.000 2.347 186 E HA -0.146 4.233 4.350 0.048 0.000 0.196 186 E C 0.846 177.481 176.600 0.059 0.000 1.008 186 E CA 0.379 56.822 56.400 0.071 0.000 0.852 186 E CB -0.385 29.353 29.700 0.064 0.000 0.783 186 E HN 0.092 8.506 8.360 0.158 0.040 0.505 187 G N 0.956 109.809 108.800 0.087 0.000 3.405 187 G HA2 -0.373 3.659 3.960 0.085 0.000 0.676 187 G HA3 -0.373 3.634 3.960 0.045 -0.020 0.676 187 G C -0.838 174.086 174.900 0.040 0.000 1.039 187 G CA -0.170 44.970 45.100 0.066 0.000 0.855 187 G HN -0.508 7.702 8.290 0.135 0.161 0.443 188 K N 1.212 121.614 120.400 0.002 0.000 6.999 188 K HA -0.605 3.975 4.320 0.012 -0.253 0.712 188 K C -1.394 175.306 176.600 0.167 0.000 2.465 188 K CA 0.493 56.796 56.287 0.026 0.000 1.780 188 K CB -0.126 32.271 32.500 -0.171 0.000 1.897 188 K HN 0.244 8.519 8.250 0.042 0.000 0.299 189 D N 0.635 121.116 120.400 0.135 0.000 2.764 189 D HA 0.308 5.074 4.640 0.210 0.000 0.293 189 D C -1.919 174.454 176.300 0.122 0.000 1.287 189 D CA -0.543 53.551 54.000 0.156 0.000 0.768 189 D CB 4.422 45.296 40.800 0.122 0.000 1.288 189 D HN 0.290 8.714 8.370 0.091 0.000 0.426 190 S N -1.579 114.205 115.700 0.140 0.000 2.707 190 S HA 0.381 4.977 4.470 0.098 -0.067 0.276 190 S C -1.369 173.281 174.600 0.083 0.000 1.179 190 S CA -0.574 57.699 58.200 0.121 0.000 0.992 190 S CB 1.774 65.084 63.200 0.184 0.000 1.030 190 S HN 0.282 8.693 8.310 0.168 0.000 0.554 191 c N -1.831 116.823 118.600 0.090 0.000 3.314 191 c HA 0.246 4.862 4.570 0.077 0.000 0.344 191 c C -1.577 172.597 174.090 0.140 0.000 1.461 191 c CA -0.464 55.919 56.329 0.091 0.000 1.249 191 c CB 2.998 45.547 42.510 0.064 0.000 1.632 191 c HN 0.249 8.822 8.230 0.106 -0.280 0.452 192 Q N 1.885 121.779 119.800 0.157 0.000 2.310 192 Q HA -0.412 4.061 4.340 0.222 0.000 0.315 192 Q C 0.976 177.155 176.000 0.300 0.000 1.081 192 Q CA 2.185 58.122 55.803 0.223 0.000 0.981 192 Q CB 0.539 29.409 28.738 0.221 0.000 1.184 192 Q HN 0.480 8.826 8.270 0.127 0.000 0.389 193 G N 6.521 115.502 108.800 0.301 0.000 2.279 193 G HA2 -0.443 3.694 3.960 0.296 0.000 0.223 193 G HA3 -0.443 3.811 3.960 0.491 0.000 0.223 193 G C 0.414 175.528 174.900 0.357 0.000 1.015 193 G CA 0.985 46.306 45.100 0.368 0.000 0.621 193 G HN 0.414 8.864 8.290 0.267 0.000 0.506 194 D N 2.213 122.771 120.400 0.262 0.000 2.346 194 D HA 0.123 4.909 4.640 0.244 0.000 0.206 194 D C 0.032 176.431 176.300 0.165 0.000 1.001 194 D CA 0.764 54.890 54.000 0.209 0.000 0.871 194 D CB 0.642 41.534 40.800 0.153 0.000 0.943 194 D HN 0.186 8.597 8.370 0.239 0.103 0.518 195 S N -0.803 114.991 115.700 0.158 0.000 2.642 195 S HA -0.559 4.140 4.470 0.135 -0.148 0.308 195 S C 1.069 175.680 174.600 0.019 0.000 1.255 195 S CA 2.097 60.363 58.200 0.110 0.000 1.057 195 S CB -0.245 63.050 63.200 0.158 0.000 0.785 195 S HN -0.512 7.870 8.310 0.190 0.041 0.500 196 G N 5.022 113.827 108.800 0.008 0.000 2.241 196 G HA2 -0.448 3.572 3.960 -0.016 0.000 0.244 196 G HA3 -0.448 3.593 3.960 -0.049 -0.110 0.244 196 G C -0.132 174.804 174.900 0.061 0.000 0.998 196 G CA 0.186 45.282 45.100 -0.006 0.000 0.621 196 G HN 0.968 9.174 8.290 0.040 0.108 0.519 197 G N 0.936 109.794 108.800 0.098 0.000 2.588 197 G HA2 0.390 4.494 3.960 0.124 0.000 0.281 197 G HA3 0.390 4.423 3.960 0.122 0.000 0.281 197 G C -2.711 172.274 174.900 0.142 0.000 1.236 197 G CA -1.985 43.189 45.100 0.123 0.000 0.969 197 G HN -0.130 8.052 8.290 0.103 0.170 0.504 198 P HA 0.355 4.983 4.420 0.144 -0.122 0.282 198 P C -1.639 175.734 177.300 0.123 0.000 1.249 198 P CA -0.907 62.292 63.100 0.166 0.000 0.806 198 P CB 1.577 33.448 31.700 0.285 0.000 0.984 199 V N 2.590 122.556 119.914 0.086 0.000 2.419 199 V HA 0.323 4.613 4.120 -0.003 -0.172 0.287 199 V C -1.025 175.085 176.094 0.027 0.000 1.017 199 V CA -0.476 61.835 62.300 0.018 0.000 0.844 199 V CB 1.697 33.502 31.823 -0.029 0.000 1.011 199 V HN -0.185 8.062 8.190 0.095 0.000 0.429 200 V N 8.504 128.428 119.914 0.016 0.000 2.459 200 V HA 0.618 4.895 4.120 -0.057 -0.191 0.295 200 V C -1.460 174.618 176.094 -0.026 0.000 1.029 200 V CA -1.236 61.045 62.300 -0.031 0.000 0.874 200 V CB 3.174 34.964 31.823 -0.056 0.000 0.985 200 V HN 0.784 8.997 8.190 0.038 0.000 0.438 201 c N 7.475 126.046 118.600 -0.049 0.000 2.431 201 c HA 0.577 5.127 4.570 -0.033 0.000 0.321 201 c C 0.062 174.123 174.090 -0.048 0.000 1.202 201 c CA -1.183 55.116 56.329 -0.050 0.000 1.398 201 c CB 1.944 44.405 42.510 -0.081 0.000 2.047 201 c HN 0.886 9.079 8.230 -0.061 0.000 0.465 202 S N 5.591 121.271 115.700 -0.033 0.000 3.559 202 S HA -0.336 4.123 4.470 -0.017 0.000 0.369 202 S C 0.399 174.979 174.600 -0.034 0.000 0.987 202 S CA 0.968 59.151 58.200 -0.028 0.000 1.187 202 S CB -1.280 61.900 63.200 -0.034 0.000 0.914 202 S HN 1.118 9.415 8.310 -0.023 0.000 0.480 203 G N -5.094 103.684 108.800 -0.037 0.000 2.166 203 G HA2 -0.366 3.558 3.960 -0.061 0.000 0.260 203 G HA3 -0.366 3.571 3.960 -0.039 0.000 0.260 203 G C -0.780 174.067 174.900 -0.088 0.000 0.986 203 G CA 0.515 45.581 45.100 -0.056 0.000 0.683 203 G HN 0.329 8.597 8.290 -0.027 0.006 0.527 210 Q N 1.205 121.022 119.800 0.028 0.000 2.373 210 Q HA 0.168 4.535 4.340 0.046 0.000 0.210 210 Q C -0.168 175.981 176.000 0.248 0.000 0.913 210 Q CA 0.333 56.169 55.803 0.054 0.000 0.911 210 Q CB 2.469 31.157 28.738 -0.082 0.000 1.040 210 Q HN 0.292 8.569 8.270 0.011 0.000 0.521 211 G N -3.450 105.520 108.800 0.284 0.000 2.694 211 G HA2 0.610 5.067 3.960 0.429 0.000 0.290 211 G HA3 0.610 4.861 3.960 0.485 0.000 0.290 211 G C -3.244 171.784 174.900 0.213 0.000 1.386 211 G CA -0.683 44.641 45.100 0.373 0.000 0.872 211 G HN -0.337 8.057 8.290 0.173 0.000 0.475 212 I N -1.213 119.478 120.570 0.203 0.000 2.466 212 I HA 0.551 5.031 4.170 0.163 -0.212 0.289 212 I C -0.431 175.820 176.117 0.223 0.000 1.026 212 I CA -1.392 60.008 61.300 0.167 0.000 1.078 212 I CB 4.160 42.215 38.000 0.092 0.000 1.249 212 I HN -0.326 8.000 8.210 0.192 0.000 0.429 213 V N 7.516 127.577 119.914 0.245 0.000 2.493 213 V HA -0.208 4.018 4.120 0.177 0.000 0.292 213 V C -1.172 174.946 176.094 0.040 0.000 1.016 213 V CA 2.181 64.585 62.300 0.174 0.000 1.097 213 V CB -1.005 30.931 31.823 0.189 0.000 0.947 213 V HN 0.408 8.724 8.190 0.210 0.000 0.479 214 S N 7.458 123.085 115.700 -0.121 0.000 3.393 214 S HA 0.411 5.062 4.470 0.302 0.000 0.209 214 S C -1.425 173.281 174.600 0.178 0.000 0.897 214 S CA 0.911 59.183 58.200 0.119 0.000 0.825 214 S CB 2.490 65.755 63.200 0.108 0.000 0.898 214 S HN -0.073 7.956 8.310 -0.468 0.000 0.615 215 W N -4.070 117.082 121.300 -0.246 0.000 3.018 215 W HA 0.292 4.854 4.660 -0.162 0.000 0.382 215 W C -2.664 173.682 176.519 -0.288 0.000 1.161 215 W CA -0.849 56.356 57.345 -0.232 0.000 1.144 215 W CB 1.586 30.903 29.460 -0.238 0.000 1.499 215 W HN -0.207 7.657 8.180 -0.527 0.000 0.596 216 G N -3.490 105.352 108.800 0.069 0.000 2.368 216 G HA2 0.096 3.756 3.960 -0.501 0.000 0.293 216 G HA3 0.096 3.982 3.960 -0.123 0.000 0.293 216 G C -2.180 172.861 174.900 0.236 0.000 1.467 216 G CA 0.092 45.140 45.100 -0.086 0.000 0.804 216 G HN -0.031 8.493 8.290 0.391 0.000 0.535 220 c N 1.815 120.453 118.600 0.064 0.000 3.471 220 c HA 0.291 5.033 4.570 0.063 -0.134 0.191 220 c C -1.516 172.605 174.090 0.053 0.000 1.480 220 c CA -0.786 55.577 56.329 0.058 0.000 1.281 220 c CB -1.195 41.344 42.510 0.048 0.000 1.898 220 c HN 0.331 8.594 8.230 0.055 0.000 0.533 221 Q N -1.473 118.360 119.800 0.055 0.000 2.889 221 Q HA 0.132 4.492 4.340 0.034 0.000 0.262 221 Q C -1.424 174.598 176.000 0.036 0.000 0.966 221 Q CA -0.646 55.181 55.803 0.041 0.000 0.858 221 Q CB 2.628 31.391 28.738 0.042 0.000 1.845 221 Q HN 0.205 8.514 8.270 0.065 0.000 0.464 222 K N 3.737 124.152 120.400 0.024 0.000 2.436 222 K HA -0.234 4.231 4.320 0.033 -0.126 0.275 222 K C 0.260 176.857 176.600 -0.005 0.000 0.999 222 K CA 0.654 56.952 56.287 0.018 0.000 0.980 222 K CB 0.079 32.587 32.500 0.013 0.000 0.919 222 K HN 0.242 8.504 8.250 0.021 0.000 0.484 223 N N 1.977 120.670 118.700 -0.011 0.000 2.713 223 N HA -0.476 4.237 4.740 -0.046 0.000 0.251 223 N C -1.681 173.751 175.510 -0.131 0.000 1.117 223 N CA 1.805 54.821 53.050 -0.058 0.000 0.770 223 N CB -0.439 38.008 38.487 -0.065 0.000 1.137 223 N HN 0.758 9.020 8.380 0.011 0.125 0.566 224 K N -2.780 117.574 120.400 -0.077 0.000 2.842 224 K HA 0.543 4.652 4.320 -0.352 0.000 0.176 224 K C -2.446 174.200 176.600 0.077 0.000 1.080 224 K CA -3.447 52.789 56.287 -0.085 0.000 0.954 224 K CB -0.067 32.440 32.500 0.012 0.000 1.203 224 K HN -0.754 7.429 8.250 -0.016 0.058 0.611 225 P HA -0.023 4.460 4.420 0.104 0.000 0.275 225 P C -0.559 176.788 177.300 0.079 0.000 1.266 225 P CA -0.458 62.708 63.100 0.111 0.000 0.793 225 P CB 1.173 32.929 31.700 0.093 0.000 1.074 226 G N -2.329 106.478 108.800 0.012 0.000 2.476 226 G HA2 0.334 4.070 3.960 -0.375 0.000 0.269 226 G HA3 0.334 4.114 3.960 -0.300 0.000 0.269 226 G C -1.797 172.763 174.900 -0.567 0.000 1.195 226 G CA -0.707 44.208 45.100 -0.307 0.000 0.843 226 G HN -0.382 7.977 8.290 0.115 0.000 0.545 227 V N 1.714 120.962 119.914 -1.110 0.000 2.495 227 V HA 0.672 4.550 4.120 -0.704 -0.181 0.298 227 V C -0.995 174.336 176.094 -1.270 0.000 1.031 227 V CA -1.087 60.526 62.300 -1.144 0.000 0.871 227 V CB 2.263 32.981 31.823 -1.842 0.000 0.988 227 V HN 0.621 8.112 8.190 -1.166 0.000 0.432 228 Y N 5.043 124.929 120.300 -0.691 0.000 2.499 228 Y HA 0.592 5.056 4.550 -0.379 -0.142 0.347 228 Y C 0.227 175.836 175.900 -0.485 0.000 0.987 228 Y CA -2.294 55.414 58.100 -0.654 0.000 1.044 228 Y CB 3.743 41.536 38.460 -1.112 0.000 1.245 228 Y HN 1.001 8.888 8.280 -0.655 0.000 0.461 229 T N 4.936 119.459 114.554 -0.052 0.000 2.851 229 T HA 0.023 4.596 4.350 0.105 -0.159 0.298 229 T C -0.601 174.242 174.700 0.239 0.000 0.977 229 T CA 1.366 63.518 62.100 0.086 0.000 1.126 229 T CB 0.486 69.383 68.868 0.050 0.000 0.916 229 T HN 0.494 8.733 8.240 -0.001 0.000 0.529 230 K N 8.444 129.069 120.400 0.375 0.000 2.127 230 K HA 0.047 4.793 4.320 0.710 0.000 0.261 230 K C 1.031 177.892 176.600 0.434 0.000 1.129 230 K CA -0.367 56.218 56.287 0.496 0.000 0.993 230 K CB -0.486 32.250 32.500 0.395 0.000 1.410 230 K HN 0.179 8.522 8.250 0.332 0.107 0.380 231 V N 5.916 126.061 119.914 0.386 0.000 2.380 231 V HA -0.559 3.839 4.120 0.463 0.000 0.251 231 V C 1.474 177.733 176.094 0.274 0.000 1.063 231 V CA 3.984 66.493 62.300 0.347 0.000 1.055 231 V CB -0.337 31.620 31.823 0.223 0.000 0.657 231 V HN 0.256 8.686 8.190 0.399 0.000 0.455 232 c N -3.618 115.078 118.600 0.160 0.000 2.409 232 c HA -0.234 4.382 4.570 0.076 0.000 0.284 232 c C 1.759 175.872 174.090 0.037 0.000 1.354 232 c CA 1.725 58.100 56.329 0.077 0.000 1.787 232 c CB -2.122 40.401 42.510 0.022 0.000 1.900 232 c HN 0.476 8.798 8.230 0.152 0.000 0.520 233 N N 0.143 118.838 118.700 -0.008 0.000 2.467 233 N HA -0.084 4.560 4.740 -0.160 0.000 0.184 233 N C -0.058 175.209 175.510 -0.405 0.000 1.106 233 N CA 1.172 54.073 53.050 -0.248 0.000 0.892 233 N CB -0.180 38.032 38.487 -0.457 0.000 0.969 233 N HN -0.347 8.036 8.380 0.079 0.045 0.454 234 Y N -4.907 115.457 120.300 0.107 0.000 2.481 234 Y HA 0.114 4.789 4.550 0.208 0.000 0.247 234 Y C 0.260 176.292 175.900 0.220 0.000 1.151 234 Y CA -0.221 57.994 58.100 0.192 0.000 1.238 234 Y CB 0.095 38.682 38.460 0.212 0.000 1.179 234 Y HN -0.091 8.106 8.280 0.194 0.199 0.524 235 V N 1.134 121.185 119.914 0.228 0.000 2.287 235 V HA -0.595 3.622 4.120 0.162 0.000 0.248 235 V C 1.334 177.503 176.094 0.126 0.000 1.053 235 V CA 5.080 67.471 62.300 0.153 0.000 1.027 235 V CB -0.585 31.288 31.823 0.082 0.000 0.646 235 V HN -0.837 7.451 8.190 0.162 0.000 0.447 236 S N -0.165 115.609 115.700 0.123 0.000 2.382 236 S HA -0.331 4.164 4.470 0.041 0.000 0.228 236 S C 1.642 176.316 174.600 0.123 0.000 1.027 236 S CA 3.655 61.910 58.200 0.092 0.000 0.991 236 S CB -0.510 62.739 63.200 0.082 0.000 0.823 236 S HN 0.189 8.569 8.310 0.117 0.000 0.469 237 W N 3.797 125.134 121.300 0.062 0.000 2.355 237 W HA -0.167 4.520 4.660 0.045 0.000 0.309 237 W C 1.644 178.179 176.519 0.027 0.000 1.206 237 W CA 2.991 60.384 57.345 0.081 0.000 1.284 237 W CB 0.031 29.623 29.460 0.220 0.000 1.145 237 W HN -0.439 7.962 8.180 0.387 0.011 0.502 238 I N -0.564 120.051 120.570 0.074 0.000 2.142 238 I HA -0.770 3.074 4.170 -0.543 0.000 0.240 238 I C 1.809 177.715 176.117 -0.353 0.000 1.078 238 I CA 4.617 65.781 61.300 -0.228 0.000 1.343 238 I CB -0.239 37.767 38.000 0.010 0.000 1.046 238 I HN 0.361 8.790 8.210 0.366 0.000 0.405 239 K N -1.023 119.262 120.400 -0.193 0.000 2.032 239 K HA -0.437 3.735 4.320 -0.246 0.000 0.209 239 K C 2.778 179.227 176.600 -0.252 0.000 1.048 239 K CA 3.806 59.969 56.287 -0.207 0.000 0.927 239 K CB -0.362 32.075 32.500 -0.106 0.000 0.712 239 K HN -0.016 8.186 8.250 -0.080 0.000 0.441 240 Q N -2.134 117.530 119.800 -0.228 0.000 2.079 240 Q HA -0.289 3.954 4.340 -0.161 0.000 0.200 240 Q C 2.647 178.454 176.000 -0.321 0.000 0.974 240 Q CA 3.397 59.071 55.803 -0.215 0.000 0.840 240 Q CB 0.023 28.677 28.738 -0.140 0.000 0.898 240 Q HN 0.162 8.324 8.270 -0.180 0.000 0.430 241 T N 2.713 116.947 114.554 -0.532 0.000 2.777 241 T HA -0.255 3.839 4.350 -0.426 0.000 0.266 241 T C 2.260 176.635 174.700 -0.542 0.000 1.040 241 T CA 4.935 66.676 62.100 -0.599 0.000 1.141 241 T CB -0.152 68.075 68.868 -1.068 0.000 0.868 241 T HN 0.007 7.867 8.240 -0.634 0.000 0.444 242 I N 0.969 121.115 120.570 -0.707 0.000 2.252 242 I HA -0.448 2.972 4.170 -1.251 0.000 0.245 242 I C 1.784 177.682 176.117 -0.364 0.000 1.102 242 I CA 3.735 64.510 61.300 -0.874 0.000 1.385 242 I CB -0.414 36.965 38.000 -1.034 0.000 1.064 242 I HN 0.080 7.875 8.210 -0.691 0.000 0.414 243 A N -0.340 122.315 122.820 -0.275 0.000 1.972 243 A HA -0.216 4.044 4.320 -0.100 0.000 0.219 243 A C 1.310 178.846 177.584 -0.080 0.000 1.169 243 A CA 2.797 54.752 52.037 -0.136 0.000 0.635 243 A CB -0.488 18.439 19.000 -0.122 0.000 0.810 243 A HN 0.133 8.090 8.150 -0.323 0.000 0.446 244 S N -4.603 111.036 115.700 -0.100 0.000 2.577 244 S HA 0.093 4.549 4.470 -0.025 0.000 0.219 244 S C -0.809 173.796 174.600 0.008 0.000 0.962 244 S CA 0.691 58.864 58.200 -0.044 0.000 0.921 244 S CB 0.894 64.056 63.200 -0.062 0.000 0.789 244 S HN -0.376 7.712 8.310 -0.167 0.122 0.497 245 N N 0.000 118.735 118.700 0.059 0.000 1.763 245 N HA 0.000 4.813 4.740 0.121 0.000 0.220 245 N CA 0.000 53.161 53.050 0.185 0.000 0.885 245 N CB 0.000 38.669 38.487 0.304 0.000 1.341 245 N HN 0.000 8.228 8.380 0.026 0.167 0.667