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 1yan_1_A DATA FIRST_RESID 1 DATA SEQUENCE KVFERcELAR TLKRLGMDGY RGVSLANWMc LAKWESGYNT RATNYNAGDR DATA SEQUENCE STDYGIFQIN SRYWcNDGKT PGAVNAcHLS cSALLQDNIA DAVAcAKRVV DATA SEQUENCE RDPQGIRAWV AWRNRcQNRD VRQYVQGcGV 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 1 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1 K C 0.000 176.566 176.600 -0.057 0.000 0.988 1 K CA 0.000 56.230 56.287 -0.096 0.000 0.838 1 K CB 0.000 32.364 32.500 -0.226 0.000 1.064 2 V N 0.639 120.512 119.914 -0.069 0.000 2.328 2 V HA 0.518 4.638 4.120 -0.000 0.000 0.278 2 V C -0.991 175.105 176.094 0.003 0.000 1.021 2 V CA -0.870 61.449 62.300 0.032 0.000 0.838 2 V CB -0.359 31.487 31.823 0.037 0.000 0.999 2 V HN 0.199 8.329 8.190 -0.101 0.000 0.447 3 F N 7.336 127.296 119.950 0.016 0.000 2.459 3 F HA -0.027 4.500 4.527 -0.000 0.000 0.346 3 F C 0.405 176.170 175.800 -0.058 0.000 1.128 3 F CA 0.590 58.560 58.000 -0.049 0.000 1.268 3 F CB 1.435 40.358 39.000 -0.128 0.000 1.161 3 F HN 0.434 9.005 8.300 0.451 0.000 0.583 4 E N 1.373 121.638 120.200 0.109 0.000 2.319 4 E HA 0.165 4.515 4.350 -0.000 0.000 0.268 4 E C -0.261 176.285 176.600 -0.091 0.000 1.050 4 E CA -0.885 55.534 56.400 0.033 0.000 0.878 4 E CB 1.127 30.837 29.700 0.017 0.000 1.066 4 E HN -0.020 8.674 8.360 0.106 -0.270 0.406 5 R N 3.040 123.453 120.500 -0.146 0.000 2.122 5 R HA -0.376 3.964 4.340 -0.000 0.000 0.236 5 R C 1.607 177.793 176.300 -0.190 0.000 1.129 5 R CA 4.295 60.225 56.100 -0.283 0.000 0.925 5 R CB -0.277 29.995 30.300 -0.046 0.000 0.850 5 R HN 0.669 8.926 8.270 -0.021 0.000 0.431 6 c N -3.064 115.492 118.600 -0.074 0.000 2.435 6 c HA -0.187 4.383 4.570 -0.000 0.000 0.279 6 c C 2.190 176.258 174.090 -0.036 0.000 1.321 6 c CA 2.652 58.956 56.329 -0.043 0.000 1.752 6 c CB -1.631 40.871 42.510 -0.013 0.000 1.959 6 c HN 0.394 8.597 8.230 -0.044 0.000 0.500 7 E N 0.903 121.096 120.200 -0.011 0.000 2.051 7 E HA -0.312 4.038 4.350 -0.000 0.000 0.192 7 E C 1.885 178.510 176.600 0.041 0.000 0.991 7 E CA 3.019 59.453 56.400 0.057 0.000 0.799 7 E CB -0.369 29.406 29.700 0.126 0.000 0.748 7 E HN -0.499 7.836 8.360 -0.015 0.017 0.449 8 L N -0.574 120.606 121.223 -0.071 0.000 2.046 8 L HA -0.319 4.021 4.340 -0.000 0.000 0.208 8 L C 1.528 178.244 176.870 -0.257 0.000 1.077 8 L CA 3.110 57.726 54.840 -0.374 0.000 0.747 8 L CB -0.471 41.202 42.059 -0.642 0.000 0.896 8 L HN -0.228 7.954 8.230 -0.080 0.000 0.432 9 A N -0.983 121.736 122.820 -0.168 0.000 1.883 9 A HA -0.400 3.920 4.320 -0.000 0.000 0.217 9 A C 2.205 179.755 177.584 -0.056 0.000 1.186 9 A CA 3.324 55.311 52.037 -0.082 0.000 0.624 9 A CB -0.891 18.087 19.000 -0.035 0.000 0.822 9 A HN -0.059 7.985 8.150 -0.176 0.000 0.444 10 R N -2.967 117.507 120.500 -0.043 0.000 2.092 10 R HA -0.340 4.000 4.340 -0.000 0.000 0.231 10 R C 2.514 178.793 176.300 -0.035 0.000 1.119 10 R CA 3.834 59.920 56.100 -0.023 0.000 0.970 10 R CB -0.082 30.214 30.300 -0.006 0.000 0.864 10 R HN -0.039 8.205 8.270 -0.043 0.000 0.440 11 T N 3.450 117.972 114.554 -0.053 0.000 2.746 11 T HA -0.224 4.126 4.350 -0.000 0.000 0.267 11 T C 2.289 176.927 174.700 -0.103 0.000 1.039 11 T CA 4.952 67.014 62.100 -0.063 0.000 1.142 11 T CB -0.637 68.190 68.868 -0.068 0.000 0.866 11 T HN -0.252 7.881 8.240 -0.058 0.072 0.444 12 L N 0.311 121.450 121.223 -0.141 0.000 2.046 12 L HA -0.427 3.913 4.340 -0.000 0.000 0.208 12 L C 1.508 178.313 176.870 -0.109 0.000 1.077 12 L CA 3.233 57.982 54.840 -0.151 0.000 0.747 12 L CB -0.598 41.373 42.059 -0.146 0.000 0.896 12 L HN 0.259 8.393 8.230 -0.159 0.000 0.432 13 K N -0.769 119.596 120.400 -0.059 0.000 2.057 13 K HA -0.358 3.962 4.320 -0.000 0.000 0.207 13 K C 2.853 179.435 176.600 -0.031 0.000 1.049 13 K CA 3.249 59.520 56.287 -0.026 0.000 0.931 13 K CB -0.356 32.142 32.500 -0.003 0.000 0.714 13 K HN -0.324 7.893 8.250 -0.054 0.000 0.440 14 R N -0.588 119.891 120.500 -0.036 0.000 2.120 14 R HA -0.207 4.133 4.340 -0.000 0.000 0.234 14 R C 1.792 178.066 176.300 -0.044 0.000 1.123 14 R CA 2.611 58.694 56.100 -0.029 0.000 0.975 14 R CB 0.010 30.297 30.300 -0.023 0.000 0.866 14 R HN -0.428 7.819 8.270 -0.039 0.000 0.446 15 L N -3.725 117.454 121.223 -0.074 0.000 2.599 15 L HA 0.088 4.428 4.340 -0.000 0.000 0.230 15 L C -0.653 176.144 176.870 -0.123 0.000 1.141 15 L CA -0.203 54.576 54.840 -0.101 0.000 0.877 15 L CB 0.028 42.007 42.059 -0.133 0.000 1.009 15 L HN -0.552 7.511 8.230 -0.083 0.117 0.447 16 G N -1.490 107.260 108.800 -0.083 0.000 2.182 16 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.248 16 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.248 16 G C 0.211 175.079 174.900 -0.055 0.000 1.042 16 G CA 0.611 45.684 45.100 -0.046 0.000 0.775 16 G HN -0.294 7.753 8.290 -0.065 0.204 0.501 17 M N -2.814 116.712 119.600 -0.124 0.000 2.514 17 M HA 0.005 4.485 4.480 -0.000 0.000 0.258 17 M C -0.112 176.273 176.300 0.142 0.000 1.119 17 M CA 0.372 55.566 55.300 -0.178 0.000 1.111 17 M CB 0.417 32.682 32.600 -0.558 0.000 1.390 17 M HN -0.566 7.645 8.290 -0.131 0.000 0.475 18 D N -0.569 119.908 120.400 0.129 0.000 2.349 18 D HA -0.157 4.483 4.640 -0.000 0.000 0.266 18 D C 1.300 177.710 176.300 0.184 0.000 1.293 18 D CA 1.477 55.585 54.000 0.179 0.000 0.926 18 D CB -0.598 40.266 40.800 0.108 0.000 1.090 18 D HN -0.409 7.996 8.370 0.059 0.000 0.502 19 G N 5.522 114.453 108.800 0.218 0.000 2.157 19 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.248 19 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.248 19 G C -0.659 174.333 174.900 0.155 0.000 0.979 19 G CA -0.002 45.183 45.100 0.143 0.000 0.650 19 G HN 0.349 8.807 8.290 0.279 0.000 0.529 20 Y N 3.286 123.693 120.300 0.180 0.000 2.677 20 Y HA -0.326 4.224 4.550 -0.000 0.000 0.335 20 Y C 0.033 176.016 175.900 0.138 0.000 1.162 20 Y CA 0.729 58.922 58.100 0.154 0.000 1.483 20 Y CB 0.092 38.653 38.460 0.168 0.000 1.209 20 Y HN -0.601 7.818 8.280 0.479 0.148 0.528 21 R N 6.119 126.341 120.500 -0.463 0.000 3.516 21 R HA -0.469 3.871 4.340 -0.000 0.000 0.271 21 R C -0.099 176.119 176.300 -0.136 0.000 1.098 21 R CA 0.619 56.533 56.100 -0.308 0.000 0.732 21 R CB -3.056 27.071 30.300 -0.289 0.000 1.152 21 R HN 0.807 8.698 8.270 -0.631 0.000 0.455 22 G N -5.911 102.835 108.800 -0.090 0.000 2.179 22 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.260 22 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.260 22 G C -0.639 174.218 174.900 -0.073 0.000 0.977 22 G CA 0.120 45.181 45.100 -0.066 0.000 0.641 22 G HN 0.005 8.224 8.290 -0.088 0.018 0.533 23 V N 2.942 122.814 119.914 -0.069 0.000 2.385 23 V HA 0.165 4.285 4.120 -0.000 0.000 0.269 23 V C -0.332 175.731 176.094 -0.052 0.000 1.043 23 V CA -1.561 60.611 62.300 -0.214 0.000 0.906 23 V CB -0.306 31.162 31.823 -0.592 0.000 0.995 23 V HN -0.330 7.681 8.190 0.007 0.182 0.467 24 S N 6.804 122.474 115.700 -0.050 0.000 2.579 24 S HA 0.112 4.582 4.470 -0.000 0.000 0.275 24 S C 0.939 175.625 174.600 0.143 0.000 1.345 24 S CA -0.083 58.157 58.200 0.067 0.000 1.031 24 S CB 1.291 64.528 63.200 0.061 0.000 0.892 24 S HN 0.085 8.343 8.310 -0.086 0.000 0.529 25 L N 2.794 124.155 121.223 0.229 0.000 2.043 25 L HA -0.388 3.952 4.340 -0.000 0.000 0.212 25 L C 0.989 177.999 176.870 0.232 0.000 1.075 25 L CA 3.350 58.364 54.840 0.290 0.000 0.752 25 L CB -0.403 41.761 42.059 0.175 0.000 0.891 25 L HN 0.155 8.756 8.230 0.180 -0.263 0.432 26 A N -3.345 119.576 122.820 0.168 0.000 1.978 26 A HA -0.388 3.932 4.320 -0.000 0.000 0.220 26 A C 2.114 179.778 177.584 0.133 0.000 1.170 26 A CA 3.057 55.201 52.037 0.178 0.000 0.636 26 A CB -1.185 17.928 19.000 0.190 0.000 0.810 26 A HN 0.389 8.628 8.150 0.148 0.000 0.448 27 N N -1.155 117.594 118.700 0.082 0.000 2.216 27 N HA -0.215 4.525 4.740 -0.000 0.000 0.183 27 N C 2.098 177.593 175.510 -0.024 0.000 1.017 27 N CA 3.339 56.418 53.050 0.048 0.000 0.861 27 N CB -0.050 38.419 38.487 -0.029 0.000 0.986 27 N HN -0.463 7.828 8.380 0.066 0.128 0.428 28 W N 0.408 121.705 121.300 -0.005 0.000 2.388 28 W HA -0.251 4.409 4.660 -0.000 0.000 0.294 28 W C 2.288 178.816 176.519 0.016 0.000 1.212 28 W CA 2.750 60.061 57.345 -0.057 0.000 1.271 28 W CB -0.050 29.368 29.460 -0.070 0.000 1.126 28 W HN -0.539 7.597 8.180 0.062 0.081 0.535 29 M N -1.023 118.711 119.600 0.224 0.000 2.099 29 M HA -0.338 4.142 4.480 -0.000 0.000 0.262 29 M C 2.390 178.632 176.300 -0.096 0.000 1.067 29 M CA 2.274 57.650 55.300 0.126 0.000 1.124 29 M CB -1.170 31.512 32.600 0.138 0.000 1.353 29 M HN -0.007 8.338 8.290 0.231 0.084 0.410 30 c N 0.266 118.630 118.600 -0.392 0.000 2.413 30 c HA -0.277 4.293 4.570 -0.000 0.000 0.276 30 c C 1.855 175.892 174.090 -0.087 0.000 1.248 30 c CA 4.089 60.001 56.329 -0.694 0.000 1.742 30 c CB -1.845 40.368 42.510 -0.494 0.000 2.017 30 c HN -0.035 8.057 8.230 -0.231 0.000 0.481 31 L N 0.916 122.171 121.223 0.053 0.000 1.994 31 L HA -0.334 4.006 4.340 -0.000 0.000 0.208 31 L C 1.439 178.358 176.870 0.082 0.000 1.071 31 L CA 3.382 58.276 54.840 0.091 0.000 0.745 31 L CB -0.398 41.625 42.059 -0.060 0.000 0.892 31 L HN -0.054 8.209 8.230 0.055 0.000 0.431 32 A N -1.965 120.938 122.820 0.137 0.000 1.933 32 A HA -0.371 3.949 4.320 -0.000 0.000 0.218 32 A C 1.965 179.470 177.584 -0.133 0.000 1.175 32 A CA 3.330 55.402 52.037 0.058 0.000 0.628 32 A CB -1.044 18.020 19.000 0.106 0.000 0.814 32 A HN 0.040 8.317 8.150 0.212 0.000 0.444 33 K N -0.908 119.322 120.400 -0.283 0.000 1.991 33 K HA -0.281 4.039 4.320 -0.000 0.000 0.212 33 K C 2.664 178.881 176.600 -0.639 0.000 1.049 33 K CA 2.884 58.682 56.287 -0.816 0.000 0.932 33 K CB -0.190 31.861 32.500 -0.748 0.000 0.717 33 K HN -0.274 7.905 8.250 -0.098 0.013 0.441 34 W N -2.254 118.949 121.300 -0.162 0.000 2.436 34 W HA -0.200 4.460 4.660 -0.000 0.000 0.284 34 W C 2.278 178.767 176.519 -0.050 0.000 1.225 34 W CA 1.908 59.201 57.345 -0.086 0.000 1.271 34 W CB 0.025 29.453 29.460 -0.053 0.000 1.114 34 W HN -0.303 7.777 8.180 -0.167 0.000 0.559 35 E N -1.232 119.046 120.200 0.131 0.000 2.046 35 E HA -0.150 4.200 4.350 -0.000 0.000 0.190 35 E C 1.547 178.177 176.600 0.051 0.000 0.982 35 E CA 2.249 58.720 56.400 0.118 0.000 0.800 35 E CB 0.171 29.942 29.700 0.119 0.000 0.756 35 E HN -0.246 8.169 8.360 0.091 0.000 0.449 36 S N -5.922 109.757 115.700 -0.036 0.000 2.817 36 S HA 0.169 4.639 4.470 -0.000 0.000 0.262 36 S C 0.783 175.311 174.600 -0.121 0.000 1.051 36 S CA 0.223 58.393 58.200 -0.049 0.000 1.185 36 S CB 2.715 65.898 63.200 -0.029 0.000 1.152 36 S HN -0.261 7.999 8.310 -0.084 0.000 0.653 37 G N 2.813 111.445 108.800 -0.280 0.000 2.221 37 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.265 37 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.265 37 G C -0.315 174.406 174.900 -0.298 0.000 1.041 37 G CA 0.834 45.678 45.100 -0.427 0.000 0.807 37 G HN -0.298 7.704 8.290 -0.318 0.097 0.502 38 Y N -7.356 112.900 120.300 -0.074 0.000 4.272 38 Y HA -0.526 4.024 4.550 -0.000 0.000 0.232 38 Y C -1.769 174.159 175.900 0.047 0.000 1.149 38 Y CA 0.535 58.612 58.100 -0.038 0.000 1.961 38 Y CB -2.983 35.489 38.460 0.019 0.000 1.611 38 Y HN -0.431 7.677 8.280 -0.257 0.019 0.682 39 N N -0.117 118.648 118.700 0.107 0.000 2.444 39 N HA 0.353 5.093 4.740 -0.000 0.000 0.262 39 N C 1.209 176.759 175.510 0.067 0.000 0.974 39 N CA -1.425 51.678 53.050 0.089 0.000 0.933 39 N CB 1.754 40.265 38.487 0.040 0.000 1.137 39 N HN -0.852 7.432 8.380 0.031 0.115 0.498 40 T N 2.892 117.504 114.554 0.096 0.000 3.035 40 T HA -0.046 4.304 4.350 -0.000 0.000 0.268 40 T C 0.926 175.668 174.700 0.071 0.000 1.109 40 T CA 1.907 64.053 62.100 0.077 0.000 1.119 40 T CB -0.048 68.888 68.868 0.114 0.000 0.900 40 T HN 0.638 8.953 8.240 0.125 0.000 0.503 41 R N -0.344 120.193 120.500 0.062 0.000 2.393 41 R HA 0.138 4.478 4.340 -0.000 0.000 0.244 41 R C -0.399 175.941 176.300 0.066 0.000 0.920 41 R CA -0.772 55.368 56.100 0.067 0.000 1.076 41 R CB 0.227 30.557 30.300 0.049 0.000 1.119 41 R HN -0.462 8.098 8.270 0.054 -0.258 0.524 42 A N 0.924 123.778 122.820 0.056 0.000 2.477 42 A HA -0.013 4.307 4.320 -0.000 0.000 0.246 42 A C -1.847 175.760 177.584 0.038 0.000 1.078 42 A CA 1.210 53.272 52.037 0.042 0.000 0.770 42 A CB 0.961 19.980 19.000 0.032 0.000 1.011 42 A HN -0.799 7.324 8.150 0.053 0.059 0.494 43 T N -2.681 111.875 114.554 0.004 0.000 2.909 43 T HA 0.390 4.740 4.350 -0.000 0.000 0.299 43 T C -1.445 173.226 174.700 -0.049 0.000 1.073 43 T CA -2.019 60.035 62.100 -0.077 0.000 0.999 43 T CB 2.580 71.380 68.868 -0.113 0.000 1.098 43 T HN -0.243 8.004 8.240 0.011 0.000 0.477 44 N N 3.259 121.914 118.700 -0.075 0.000 2.519 44 N HA 0.309 5.049 4.740 -0.000 0.000 0.286 44 N C -1.764 173.749 175.510 0.005 0.000 1.079 44 N CA 0.018 53.064 53.050 -0.007 0.000 0.878 44 N CB 3.376 41.871 38.487 0.013 0.000 1.375 44 N HN 0.205 8.487 8.380 -0.163 0.000 0.514 45 Y N 5.282 125.541 120.300 -0.069 0.000 2.335 45 Y HA 0.087 4.637 4.550 -0.000 0.000 0.331 45 Y C -0.968 174.919 175.900 -0.022 0.000 1.094 45 Y CA -0.349 57.718 58.100 -0.055 0.000 1.253 45 Y CB 0.853 39.291 38.460 -0.038 0.000 1.203 45 Y HN 0.367 8.746 8.280 0.165 0.000 0.508 46 N N 8.642 126.935 118.700 -0.678 0.000 2.678 46 N HA 0.129 4.869 4.740 -0.000 0.000 0.231 46 N C -0.772 174.247 175.510 -0.820 0.000 1.038 46 N CA -0.594 52.148 53.050 -0.514 0.000 0.932 46 N CB -0.432 37.888 38.487 -0.278 0.000 1.176 46 N HN 0.531 8.479 8.380 -0.720 0.000 0.511 47 A N 4.734 127.182 122.820 -0.621 0.000 2.024 47 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 47 A C 1.488 178.971 177.584 -0.168 0.000 1.164 47 A CA 2.465 54.310 52.037 -0.320 0.000 0.643 47 A CB -0.450 18.578 19.000 0.047 0.000 0.806 47 A HN 0.457 8.390 8.150 -0.361 0.000 0.451 48 G N -2.647 106.058 108.800 -0.159 0.000 2.422 48 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.218 48 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.218 48 G C 0.114 174.963 174.900 -0.085 0.000 1.140 48 G CA 1.297 46.344 45.100 -0.088 0.000 0.775 48 G HN 0.287 8.428 8.290 -0.185 0.038 0.545 49 D N -2.553 117.769 120.400 -0.130 0.000 2.539 49 D HA 0.166 4.806 4.640 -0.000 0.000 0.232 49 D C -0.453 175.786 176.300 -0.102 0.000 1.256 49 D CA -0.821 53.121 54.000 -0.096 0.000 0.810 49 D CB 0.705 41.456 40.800 -0.082 0.000 1.090 49 D HN -0.745 7.504 8.370 -0.202 0.000 0.519 50 R N -3.704 116.703 120.500 -0.155 0.000 3.878 50 R HA -0.517 3.823 4.340 -0.000 0.000 0.330 50 R C -1.128 175.164 176.300 -0.014 0.000 1.186 50 R CA 1.305 57.377 56.100 -0.047 0.000 0.885 50 R CB -2.788 27.556 30.300 0.075 0.000 1.377 50 R HN 0.131 8.254 8.270 -0.246 0.000 0.523 51 S N -2.535 113.080 115.700 -0.142 0.000 2.718 51 S HA 0.732 5.202 4.470 -0.000 0.000 0.300 51 S C -1.185 173.386 174.600 -0.048 0.000 1.117 51 S CA -1.468 56.705 58.200 -0.045 0.000 1.002 51 S CB 3.218 66.374 63.200 -0.073 0.000 1.092 51 S HN -0.495 7.855 8.310 -0.251 -0.191 0.542 52 T N 1.271 115.853 114.554 0.047 0.000 2.912 52 T HA 0.472 4.822 4.350 -0.000 0.000 0.299 52 T C -2.044 172.581 174.700 -0.125 0.000 1.052 52 T CA 0.094 62.152 62.100 -0.069 0.000 0.996 52 T CB 3.076 71.850 68.868 -0.157 0.000 1.070 52 T HN 0.246 8.558 8.240 0.120 0.000 0.465 53 D N 4.209 124.511 120.400 -0.164 0.000 2.198 53 D HA 0.617 5.257 4.640 -0.000 0.000 0.245 53 D C -1.052 175.143 176.300 -0.175 0.000 1.079 53 D CA -1.070 52.924 54.000 -0.010 0.000 0.854 53 D CB 2.049 42.897 40.800 0.079 0.000 1.148 53 D HN 0.427 8.702 8.370 -0.158 0.000 0.456 54 Y N 1.067 121.471 120.300 0.173 0.000 2.376 54 Y HA 0.401 4.951 4.550 -0.000 0.000 0.340 54 Y C 0.045 176.028 175.900 0.138 0.000 0.965 54 Y CA -0.896 57.290 58.100 0.143 0.000 1.078 54 Y CB 2.807 41.348 38.460 0.135 0.000 1.193 54 Y HN 0.489 8.941 8.280 0.387 0.060 0.452 55 G N 4.574 113.517 108.800 0.239 0.000 2.693 55 G HA2 -0.451 3.509 3.960 -0.000 0.000 0.226 55 G HA3 -0.451 3.509 3.960 -0.000 0.000 0.226 55 G C 0.178 175.107 174.900 0.049 0.000 1.354 55 G CA 0.080 45.263 45.100 0.140 0.000 0.873 55 G HN 0.447 8.864 8.290 0.211 0.000 0.562 56 I N 1.253 121.772 120.570 -0.084 0.000 2.335 56 I HA -0.328 3.842 4.170 -0.000 0.000 0.251 56 I C 0.602 176.488 176.117 -0.386 0.000 1.129 56 I CA 2.830 63.957 61.300 -0.289 0.000 1.402 56 I CB 0.249 37.957 38.000 -0.488 0.000 1.069 56 I HN 0.526 8.694 8.210 -0.070 0.000 0.424 57 F N -3.471 116.523 119.950 0.074 0.000 2.695 57 F HA 0.154 4.681 4.527 -0.000 0.000 0.303 57 F C -1.260 174.684 175.800 0.240 0.000 1.091 57 F CA -1.757 56.278 58.000 0.058 0.000 1.300 57 F CB -0.101 38.939 39.000 0.066 0.000 1.071 57 F HN -0.276 7.966 8.300 -0.066 0.018 0.578 58 Q N -3.774 116.229 119.800 0.339 0.000 2.453 58 Q HA -0.452 3.888 4.340 -0.000 0.000 0.330 58 Q C -0.534 175.741 176.000 0.458 0.000 1.417 58 Q CA 1.140 57.145 55.803 0.337 0.000 0.902 58 Q CB -2.639 26.270 28.738 0.285 0.000 1.154 58 Q HN -0.377 7.828 8.270 0.219 0.196 0.395 59 I N -0.554 120.293 120.570 0.461 0.000 2.441 59 I HA -0.107 4.063 4.170 -0.000 0.000 0.287 59 I C -0.495 175.890 176.117 0.447 0.000 1.049 59 I CA 0.208 61.767 61.300 0.431 0.000 1.381 59 I CB 0.905 39.124 38.000 0.365 0.000 1.409 59 I HN -0.307 8.161 8.210 0.430 0.000 0.523 60 N N 7.073 126.057 118.700 0.473 0.000 2.514 60 N HA 0.086 4.826 4.740 -0.000 0.000 0.277 60 N C 0.910 176.649 175.510 0.383 0.000 1.126 60 N CA 0.423 53.716 53.050 0.406 0.000 0.978 60 N CB 1.404 40.096 38.487 0.341 0.000 1.106 60 N HN 0.240 8.917 8.380 0.496 0.000 0.461 61 S N 6.464 122.339 115.700 0.292 0.000 2.481 61 S HA -0.183 4.287 4.470 -0.000 0.000 0.231 61 S C 0.964 175.545 174.600 -0.032 0.000 0.996 61 S CA 2.381 60.697 58.200 0.193 0.000 0.942 61 S CB 0.211 63.591 63.200 0.299 0.000 0.768 61 S HN 0.505 8.994 8.310 0.299 0.000 0.520 62 R N -0.184 120.197 120.500 -0.199 0.000 2.148 62 R HA -0.237 4.103 4.340 -0.000 0.000 0.227 62 R C 1.112 176.952 176.300 -0.768 0.000 1.103 62 R CA 2.966 58.733 56.100 -0.556 0.000 0.983 62 R CB 0.576 30.367 30.300 -0.847 0.000 0.874 62 R HN -0.326 8.154 8.270 -0.115 -0.278 0.451 63 Y N -5.358 114.733 120.300 -0.349 0.000 2.572 63 Y HA 0.136 4.686 4.550 -0.000 0.000 0.274 63 Y C 1.658 177.103 175.900 -0.758 0.000 1.135 63 Y CA 1.409 59.086 58.100 -0.705 0.000 1.230 63 Y CB 1.348 39.078 38.460 -1.218 0.000 1.293 63 Y HN -0.772 7.293 8.280 -0.309 0.029 0.501 64 W N -2.274 119.100 121.300 0.122 0.000 2.630 64 W HA 0.132 4.792 4.660 -0.000 0.000 0.271 64 W C -0.332 176.187 176.519 0.000 0.000 1.244 64 W CA 2.110 59.483 57.345 0.046 0.000 1.353 64 W CB 1.738 31.239 29.460 0.069 0.000 1.080 64 W HN -0.287 7.842 8.180 -0.086 0.000 0.594 65 c N -6.587 112.118 118.600 0.176 0.000 3.080 65 c HA 0.631 5.201 4.570 -0.000 0.000 0.307 65 c C -1.954 172.137 174.090 0.002 0.000 1.311 65 c CA -3.230 53.139 56.329 0.067 0.000 1.533 65 c CB 3.251 45.784 42.510 0.038 0.000 1.970 65 c HN -0.797 7.539 8.230 0.177 0.000 0.467 66 N N 0.874 119.557 118.700 -0.029 0.000 2.419 66 N HA 0.164 4.904 4.740 -0.000 0.000 0.277 66 N C -0.411 175.066 175.510 -0.055 0.000 1.006 66 N CA -0.731 52.301 53.050 -0.031 0.000 0.923 66 N CB 2.345 40.823 38.487 -0.015 0.000 1.140 66 N HN 0.385 8.748 8.380 -0.028 0.000 0.488 67 D N 5.215 125.602 120.400 -0.021 0.000 2.500 67 D HA 0.103 4.743 4.640 -0.000 0.000 0.217 67 D C 1.286 177.602 176.300 0.028 0.000 1.159 67 D CA -1.285 52.712 54.000 -0.004 0.000 0.828 67 D CB 0.305 41.147 40.800 0.069 0.000 1.039 67 D HN 0.414 8.787 8.370 0.005 0.000 0.512 68 G N 1.651 110.461 108.800 0.016 0.000 2.353 68 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.258 68 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.258 68 G C 0.431 175.346 174.900 0.025 0.000 1.013 68 G CA 1.801 46.911 45.100 0.016 0.000 0.622 68 G HN -0.040 8.504 8.290 0.006 -0.250 0.535 69 K N -1.135 119.292 120.400 0.046 0.000 2.358 69 K HA 0.194 4.514 4.320 -0.000 0.000 0.197 69 K C 0.113 176.748 176.600 0.059 0.000 1.025 69 K CA -0.142 56.176 56.287 0.052 0.000 1.104 69 K CB 0.887 33.424 32.500 0.063 0.000 0.855 69 K HN -0.542 7.773 8.250 0.062 -0.027 0.531 70 T N 5.370 119.952 114.554 0.048 0.000 2.743 70 T HA 0.424 4.774 4.350 -0.000 0.000 0.293 70 T C -2.297 172.393 174.700 -0.017 0.000 0.945 70 T CA -1.105 61.009 62.100 0.024 0.000 1.030 70 T CB 0.123 68.997 68.868 0.009 0.000 0.912 70 T HN -0.673 7.648 8.240 0.042 -0.056 0.483 71 P HA 0.004 4.424 4.420 -0.000 0.000 0.271 71 P C 0.521 177.781 177.300 -0.067 0.000 1.218 71 P CA -0.233 62.848 63.100 -0.033 0.000 0.780 71 P CB 0.396 32.083 31.700 -0.021 0.000 0.901 72 G N 1.286 110.051 108.800 -0.058 0.000 2.379 72 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.297 72 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.297 72 G C -1.146 173.682 174.900 -0.119 0.000 1.004 72 G CA 0.346 45.402 45.100 -0.072 0.000 0.921 72 G HN 0.339 8.604 8.290 -0.041 0.000 0.511 73 A N -2.481 120.266 122.820 -0.122 0.000 2.294 73 A HA 0.550 4.870 4.320 -0.000 0.000 0.330 73 A C -1.007 176.500 177.584 -0.128 0.000 1.133 73 A CA -1.138 50.793 52.037 -0.176 0.000 0.836 73 A CB 2.106 21.013 19.000 -0.156 0.000 1.190 73 A HN -0.566 7.524 8.150 -0.087 0.008 0.492 74 V N -5.273 114.547 119.914 -0.157 0.000 3.181 74 V HA 0.310 4.430 4.120 -0.000 0.000 0.314 74 V C -1.805 174.212 176.094 -0.130 0.000 1.173 74 V CA -2.061 60.168 62.300 -0.118 0.000 1.052 74 V CB 2.193 33.950 31.823 -0.109 0.000 1.123 74 V HN 0.564 8.503 8.190 -0.230 0.113 0.454 75 N N -0.409 118.213 118.700 -0.130 0.000 2.726 75 N HA 0.146 4.886 4.740 -0.000 0.000 0.253 75 N C 0.336 175.662 175.510 -0.306 0.000 1.530 75 N CA -0.320 52.650 53.050 -0.133 0.000 0.772 75 N CB 0.088 38.536 38.487 -0.064 0.000 1.220 75 N HN -0.240 8.065 8.380 -0.124 0.000 0.508 76 A N 1.467 124.134 122.820 -0.254 0.000 2.019 76 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 76 A C 0.972 178.400 177.584 -0.261 0.000 1.164 76 A CA 2.708 54.579 52.037 -0.277 0.000 0.644 76 A CB -0.027 18.919 19.000 -0.090 0.000 0.805 76 A HN 0.789 8.703 8.150 -0.213 0.108 0.449 77 c N -5.549 113.034 118.600 -0.030 0.000 2.562 77 c HA -0.071 4.499 4.570 -0.000 0.000 0.266 77 c C -0.594 173.530 174.090 0.056 0.000 1.382 77 c CA 0.203 56.572 56.329 0.066 0.000 1.742 77 c CB -1.437 41.164 42.510 0.153 0.000 1.812 77 c HN -0.509 7.744 8.230 0.070 0.019 0.559 78 H N -2.554 116.572 119.070 0.092 0.000 2.748 78 H HA -0.360 4.196 4.556 -0.000 0.000 0.322 78 H C -1.285 174.068 175.328 0.043 0.000 1.208 78 H CA 1.035 57.116 56.048 0.054 0.000 1.151 78 H CB -3.034 26.755 29.762 0.045 0.000 1.505 78 H HN -0.167 7.803 8.280 -0.356 0.096 0.429 79 L N -3.308 117.969 121.223 0.090 0.000 2.393 79 L HA 0.340 4.680 4.340 -0.000 0.000 0.260 79 L C -0.963 175.915 176.870 0.014 0.000 1.002 79 L CA -1.811 53.063 54.840 0.056 0.000 0.818 79 L CB 4.621 46.712 42.059 0.053 0.000 1.369 79 L HN -0.339 8.258 8.230 0.054 -0.335 0.412 80 S N -0.113 115.583 115.700 -0.007 0.000 2.565 80 S HA 0.100 4.570 4.470 -0.000 0.000 0.276 80 S C 1.409 175.943 174.600 -0.109 0.000 1.326 80 S CA -0.421 57.750 58.200 -0.049 0.000 1.045 80 S CB 0.595 63.773 63.200 -0.037 0.000 0.918 80 S HN -0.176 8.137 8.310 0.005 0.000 0.505 81 c N 8.123 126.585 118.600 -0.230 0.000 2.409 81 c HA -0.222 4.348 4.570 -0.000 0.000 0.284 81 c C 2.181 176.037 174.090 -0.390 0.000 1.354 81 c CA 2.681 58.719 56.329 -0.484 0.000 1.787 81 c CB -2.138 39.679 42.510 -1.154 0.000 1.900 81 c HN 0.774 8.779 8.230 -0.210 0.098 0.520 82 S N 0.801 116.373 115.700 -0.215 0.000 2.383 82 S HA -0.320 4.150 4.470 -0.000 0.000 0.229 82 S C 1.352 175.932 174.600 -0.033 0.000 1.030 82 S CA 3.536 61.685 58.200 -0.085 0.000 1.002 82 S CB -0.246 62.929 63.200 -0.041 0.000 0.829 82 S HN -0.376 7.787 8.310 -0.187 0.035 0.467 83 A N 0.570 123.370 122.820 -0.034 0.000 2.070 83 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 83 A C 1.725 179.324 177.584 0.026 0.000 1.159 83 A CA 2.487 54.526 52.037 0.003 0.000 0.656 83 A CB -0.563 18.442 19.000 0.009 0.000 0.800 83 A HN -0.317 7.668 8.150 -0.057 0.131 0.453 84 L N -4.423 116.816 121.223 0.026 0.000 2.612 84 L HA -0.069 4.271 4.340 -0.000 0.000 0.230 84 L C -0.334 176.604 176.870 0.113 0.000 1.140 84 L CA 0.412 55.303 54.840 0.085 0.000 0.896 84 L CB -0.506 41.632 42.059 0.132 0.000 1.065 84 L HN -0.502 7.548 8.230 -0.026 0.164 0.447 85 L N -4.668 116.608 121.223 0.089 0.000 2.959 85 L HA 0.197 4.537 4.340 -0.000 0.000 0.259 85 L C -0.115 176.795 176.870 0.067 0.000 1.185 85 L CA -1.346 53.554 54.840 0.101 0.000 0.998 85 L CB -0.135 41.997 42.059 0.122 0.000 1.337 85 L HN -0.518 7.557 8.230 0.056 0.189 0.555 86 Q N 0.556 120.389 119.800 0.055 0.000 2.368 86 Q HA -0.091 4.249 4.340 -0.000 0.000 0.237 86 Q C -0.334 175.696 176.000 0.050 0.000 0.987 86 Q CA 0.327 56.156 55.803 0.042 0.000 0.896 86 Q CB 0.636 29.395 28.738 0.036 0.000 1.241 86 Q HN -1.007 7.235 8.270 0.056 0.062 0.485 87 D N -0.932 119.486 120.400 0.030 0.000 2.183 87 D HA -0.121 4.519 4.640 -0.000 0.000 0.203 87 D C 0.070 176.411 176.300 0.069 0.000 0.969 87 D CA 2.049 56.060 54.000 0.019 0.000 0.842 87 D CB 0.380 41.158 40.800 -0.036 0.000 0.957 87 D HN 0.048 8.429 8.370 0.018 0.000 0.484 88 N N -0.312 118.422 118.700 0.056 0.000 2.411 88 N HA -0.056 4.684 4.740 -0.000 0.000 0.259 88 N C 0.569 176.124 175.510 0.074 0.000 1.103 88 N CA -0.098 52.994 53.050 0.070 0.000 0.954 88 N CB 0.200 38.709 38.487 0.037 0.000 1.085 88 N HN -0.336 8.048 8.380 0.036 0.018 0.485 89 I N 0.197 120.822 120.570 0.091 0.000 3.749 89 I HA 0.190 4.360 4.170 -0.000 0.000 0.314 89 I C 0.074 176.196 176.117 0.009 0.000 1.267 89 I CA -0.168 61.154 61.300 0.037 0.000 1.169 89 I CB -0.834 37.146 38.000 -0.034 0.000 1.009 89 I HN 0.263 8.555 8.210 0.137 0.000 0.444 90 A N 2.324 125.149 122.820 0.008 0.000 1.892 90 A HA -0.443 3.877 4.320 -0.000 0.000 0.218 90 A C 1.418 178.995 177.584 -0.012 0.000 1.188 90 A CA 3.947 55.976 52.037 -0.013 0.000 0.631 90 A CB -0.962 18.033 19.000 -0.008 0.000 0.822 90 A HN 0.179 8.569 8.150 0.022 -0.226 0.447 91 D N -1.319 119.088 120.400 0.010 0.000 2.117 91 D HA -0.270 4.370 4.640 -0.000 0.000 0.198 91 D C 1.893 178.216 176.300 0.038 0.000 0.982 91 D CA 3.216 57.228 54.000 0.020 0.000 0.828 91 D CB -0.745 40.073 40.800 0.030 0.000 0.967 91 D HN 0.236 8.617 8.370 0.017 0.000 0.464 92 A N -0.150 122.708 122.820 0.064 0.000 1.933 92 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 92 A C 2.324 180.000 177.584 0.152 0.000 1.175 92 A CA 2.850 54.970 52.037 0.138 0.000 0.628 92 A CB -0.650 18.431 19.000 0.134 0.000 0.814 92 A HN 0.054 8.235 8.150 0.052 0.000 0.444 93 V N -0.917 119.034 119.914 0.060 0.000 2.358 93 V HA -0.422 3.698 4.120 -0.000 0.000 0.246 93 V C 1.869 177.838 176.094 -0.209 0.000 1.047 93 V CA 4.193 66.437 62.300 -0.092 0.000 1.035 93 V CB -1.084 30.648 31.823 -0.152 0.000 0.658 93 V HN 0.262 8.468 8.190 0.037 0.007 0.452 94 A N -1.254 121.490 122.820 -0.128 0.000 1.972 94 A HA -0.316 4.004 4.320 -0.000 0.000 0.219 94 A C 1.841 179.366 177.584 -0.100 0.000 1.169 94 A CA 3.295 55.255 52.037 -0.129 0.000 0.635 94 A CB -0.845 18.120 19.000 -0.059 0.000 0.810 94 A HN -0.014 8.021 8.150 -0.075 0.070 0.446 95 c N -2.190 116.382 118.600 -0.047 0.000 2.475 95 c HA -0.221 4.349 4.570 -0.000 0.000 0.279 95 c C 1.585 175.607 174.090 -0.114 0.000 1.322 95 c CA 2.227 58.542 56.329 -0.023 0.000 1.734 95 c CB -2.003 40.541 42.510 0.056 0.000 2.005 95 c HN -0.119 8.091 8.230 -0.018 0.009 0.495 96 A N 0.631 123.371 122.820 -0.133 0.000 1.933 96 A HA -0.379 3.941 4.320 -0.000 0.000 0.218 96 A C 1.771 179.263 177.584 -0.153 0.000 1.175 96 A CA 3.445 55.379 52.037 -0.170 0.000 0.628 96 A CB -0.856 17.753 19.000 -0.652 0.000 0.814 96 A HN 0.196 8.287 8.150 -0.098 0.000 0.444 97 K N -2.184 118.042 120.400 -0.289 0.000 2.097 97 K HA -0.353 3.967 4.320 -0.000 0.000 0.206 97 K C 2.424 179.038 176.600 0.023 0.000 1.049 97 K CA 3.175 59.312 56.287 -0.251 0.000 0.933 97 K CB -0.099 32.016 32.500 -0.642 0.000 0.717 97 K HN -0.212 7.821 8.250 -0.350 0.007 0.442 98 R N -0.665 119.805 120.500 -0.050 0.000 2.066 98 R HA -0.207 4.133 4.340 -0.000 0.000 0.232 98 R C 2.878 179.100 176.300 -0.130 0.000 1.131 98 R CA 2.592 58.691 56.100 -0.002 0.000 0.955 98 R CB -0.742 29.585 30.300 0.045 0.000 0.851 98 R HN -0.715 7.387 8.270 -0.101 0.107 0.432 99 V N -0.108 119.526 119.914 -0.467 0.000 2.332 99 V HA -0.347 3.773 4.120 -0.000 0.000 0.248 99 V C 2.293 178.174 176.094 -0.354 0.000 1.055 99 V CA 4.198 65.950 62.300 -0.914 0.000 1.038 99 V CB -0.520 30.563 31.823 -1.235 0.000 0.651 99 V HN -0.021 7.920 8.190 -0.416 0.000 0.450 100 V N -6.172 113.709 119.914 -0.055 0.000 3.217 100 V HA -0.120 4.000 4.120 -0.000 0.000 0.264 100 V C 1.487 177.611 176.094 0.051 0.000 1.135 100 V CA 2.271 64.606 62.300 0.059 0.000 1.142 100 V CB -1.081 30.894 31.823 0.253 0.000 0.754 100 V HN -0.304 7.905 8.190 0.031 0.000 0.484 101 R N -1.073 119.472 120.500 0.075 0.000 2.316 101 R HA -0.114 4.226 4.340 -0.000 0.000 0.202 101 R C 0.291 176.615 176.300 0.039 0.000 1.029 101 R CA 1.263 57.404 56.100 0.069 0.000 1.018 101 R CB -0.093 30.273 30.300 0.110 0.000 0.888 101 R HN -0.581 7.561 8.270 0.068 0.169 0.471 102 D N -1.017 119.403 120.400 0.033 0.000 2.329 102 D HA 0.301 4.941 4.640 -0.000 0.000 0.246 102 D C -0.323 175.973 176.300 -0.008 0.000 1.111 102 D CA -1.732 52.291 54.000 0.038 0.000 0.941 102 D CB 0.497 41.353 40.800 0.094 0.000 1.169 102 D HN -0.793 7.413 8.370 0.010 0.170 0.441 103 P HA -0.157 4.263 4.420 -0.000 0.000 0.227 103 P C -0.315 176.961 177.300 -0.040 0.000 1.145 103 P CA 2.116 65.200 63.100 -0.027 0.000 0.769 103 P CB -0.217 31.470 31.700 -0.023 0.000 0.769 104 Q N -4.220 115.549 119.800 -0.052 0.000 2.392 104 Q HA 0.089 4.429 4.340 -0.000 0.000 0.219 104 Q C 0.826 176.766 176.000 -0.100 0.000 0.895 104 Q CA -0.208 55.557 55.803 -0.063 0.000 0.929 104 Q CB 1.290 29.989 28.738 -0.064 0.000 1.077 104 Q HN -0.107 8.064 8.270 -0.050 0.069 0.532 105 G N 0.311 109.048 108.800 -0.106 0.000 2.556 105 G HA2 -0.452 3.508 3.960 -0.000 0.000 0.283 105 G HA3 -0.452 3.508 3.960 -0.000 0.000 0.283 105 G C 0.360 175.148 174.900 -0.186 0.000 1.177 105 G CA 1.067 46.083 45.100 -0.140 0.000 0.978 105 G HN -0.181 8.060 8.290 -0.082 0.000 0.554 106 I N 4.717 125.071 120.570 -0.360 0.000 2.614 106 I HA -0.192 3.978 4.170 -0.000 0.000 0.258 106 I C 1.082 176.969 176.117 -0.383 0.000 1.189 106 I CA 0.596 61.573 61.300 -0.539 0.000 1.462 106 I CB -0.009 37.246 38.000 -1.241 0.000 1.092 106 I HN 0.206 8.169 8.210 -0.412 0.000 0.442 107 R N -1.006 119.312 120.500 -0.304 0.000 2.293 107 R HA -0.302 4.038 4.340 -0.000 0.000 0.219 107 R C 0.973 177.307 176.300 0.058 0.000 1.091 107 R CA 2.499 58.597 56.100 -0.003 0.000 1.004 107 R CB -0.453 29.862 30.300 0.025 0.000 0.865 107 R HN -0.556 7.477 8.270 -0.338 0.034 0.469 108 A N -1.713 121.078 122.820 -0.048 0.000 1.978 108 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 108 A C 0.498 178.014 177.584 -0.113 0.000 1.170 108 A CA 1.487 53.426 52.037 -0.163 0.000 0.636 108 A CB 0.038 18.782 19.000 -0.426 0.000 0.810 108 A HN -0.601 7.430 8.150 -0.096 0.062 0.448 109 W N -1.881 119.441 121.300 0.036 0.000 2.342 109 W HA 0.008 4.668 4.660 -0.000 0.000 0.310 109 W C 1.064 177.677 176.519 0.157 0.000 1.128 109 W CA 0.304 57.715 57.345 0.109 0.000 1.322 109 W CB 0.004 29.539 29.460 0.126 0.000 1.251 109 W HN -0.555 7.839 8.180 0.398 0.025 0.439 110 V N 6.618 126.713 119.914 0.301 0.000 2.469 110 V HA -0.495 3.625 4.120 -0.000 0.000 0.251 110 V C 1.151 177.365 176.094 0.199 0.000 1.064 110 V CA 3.877 66.304 62.300 0.211 0.000 1.066 110 V CB -0.790 31.113 31.823 0.134 0.000 0.667 110 V HN 0.707 9.049 8.190 0.254 0.000 0.461 111 A N -0.853 122.110 122.820 0.240 0.000 1.972 111 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 111 A C 1.201 178.857 177.584 0.120 0.000 1.169 111 A CA 3.025 55.155 52.037 0.155 0.000 0.635 111 A CB -0.747 18.378 19.000 0.208 0.000 0.810 111 A HN 0.086 8.406 8.150 0.306 0.013 0.446 112 W N -0.895 120.447 121.300 0.070 0.000 2.358 112 W HA -0.438 4.222 4.660 -0.000 0.000 0.303 112 W C 1.520 178.022 176.519 -0.029 0.000 1.208 112 W CA 4.589 61.936 57.345 0.003 0.000 1.274 112 W CB 0.101 29.572 29.460 0.017 0.000 1.138 112 W HN -0.408 7.935 8.180 0.481 0.125 0.515 113 R N -2.705 117.866 120.500 0.117 0.000 2.073 113 R HA -0.479 3.861 4.340 -0.000 0.000 0.234 113 R C 2.118 178.279 176.300 -0.231 0.000 1.134 113 R CA 3.704 59.752 56.100 -0.085 0.000 0.952 113 R CB -0.496 29.860 30.300 0.094 0.000 0.850 113 R HN -0.818 7.662 8.270 0.350 0.000 0.433 114 N N -2.255 116.348 118.700 -0.162 0.000 2.058 114 N HA -0.179 4.561 4.740 -0.000 0.000 0.191 114 N C 1.771 177.074 175.510 -0.345 0.000 1.037 114 N CA 2.717 55.640 53.050 -0.212 0.000 0.848 114 N CB 0.197 38.584 38.487 -0.167 0.000 1.021 114 N HN -0.242 8.097 8.380 -0.068 0.000 0.422 115 R N -3.676 116.548 120.500 -0.459 0.000 2.365 115 R HA 0.402 4.742 4.340 -0.000 0.000 0.223 115 R C 0.945 176.950 176.300 -0.492 0.000 0.899 115 R CA 0.525 56.244 56.100 -0.635 0.000 1.059 115 R CB -0.148 29.360 30.300 -1.319 0.000 1.086 115 R HN 0.191 8.229 8.270 -0.386 0.000 0.522 116 c N -1.668 116.584 118.600 -0.581 0.000 2.553 116 c HA 0.258 4.828 4.570 -0.000 0.000 0.447 116 c C -0.797 172.817 174.090 -0.793 0.000 1.351 116 c CA 0.236 56.196 56.329 -0.615 0.000 2.354 116 c CB 1.571 43.642 42.510 -0.732 0.000 2.905 116 c HN 0.148 7.884 8.230 -0.667 0.094 0.554 117 Q N 2.304 121.325 119.800 -1.297 0.000 2.283 117 Q HA -0.370 3.970 4.340 -0.000 0.000 0.301 117 Q C -1.241 174.497 176.000 -0.438 0.000 1.063 117 Q CA 2.141 57.299 55.803 -1.074 0.000 0.952 117 Q CB 0.498 28.622 28.738 -1.023 0.000 1.166 117 Q HN -0.207 7.214 8.270 -1.415 0.000 0.381 118 N N 0.411 118.969 118.700 -0.237 0.000 2.714 118 N HA -0.393 4.347 4.740 -0.000 0.000 0.250 118 N C -0.912 174.536 175.510 -0.103 0.000 1.117 118 N CA 1.079 54.058 53.050 -0.118 0.000 0.719 118 N CB -0.634 37.794 38.487 -0.098 0.000 1.081 118 N HN 0.393 8.659 8.380 -0.191 0.000 0.557 119 R N -2.459 117.977 120.500 -0.107 0.000 2.919 119 R HA 0.228 4.568 4.340 -0.000 0.000 0.260 119 R C -1.633 174.668 176.300 0.003 0.000 1.067 119 R CA -1.879 54.187 56.100 -0.057 0.000 1.003 119 R CB 2.247 32.506 30.300 -0.069 0.000 1.192 119 R HN -0.812 7.347 8.270 -0.139 0.028 0.488 120 D N 0.727 121.140 120.400 0.022 0.000 2.374 120 D HA 0.048 4.688 4.640 -0.000 0.000 0.240 120 D C 0.871 177.229 176.300 0.096 0.000 1.229 120 D CA -0.065 53.961 54.000 0.043 0.000 0.895 120 D CB -0.489 40.322 40.800 0.018 0.000 1.046 120 D HN 0.126 8.501 8.370 0.009 0.000 0.498 121 V N -0.228 119.780 119.914 0.157 0.000 3.542 121 V HA 0.335 4.455 4.120 -0.000 0.000 0.296 121 V C 1.500 177.768 176.094 0.290 0.000 1.364 121 V CA -0.512 61.990 62.300 0.337 0.000 1.118 121 V CB -0.274 31.753 31.823 0.341 0.000 0.972 121 V HN -0.143 8.119 8.190 0.121 0.000 0.430 122 R N 2.008 122.590 120.500 0.136 0.000 2.105 122 R HA -0.350 3.990 4.340 -0.000 0.000 0.239 122 R C 1.973 178.311 176.300 0.064 0.000 1.135 122 R CA 2.068 58.226 56.100 0.096 0.000 0.967 122 R CB -1.285 29.046 30.300 0.053 0.000 0.861 122 R HN -0.389 8.075 8.270 0.102 -0.133 0.442 123 Q N -0.632 119.152 119.800 -0.028 0.000 2.197 123 Q HA -0.265 4.075 4.340 -0.000 0.000 0.207 123 Q C 2.298 178.225 176.000 -0.123 0.000 0.984 123 Q CA 2.674 58.401 55.803 -0.126 0.000 0.869 123 Q CB -1.075 27.512 28.738 -0.253 0.000 0.906 123 Q HN 0.319 8.554 8.270 -0.034 0.014 0.426 124 Y N -2.146 118.201 120.300 0.078 0.000 2.352 124 Y HA -0.230 4.320 4.550 0.000 0.000 0.292 124 Y C 1.941 177.878 175.900 0.061 0.000 1.136 124 Y CA 2.796 60.950 58.100 0.090 0.000 1.227 124 Y CB 0.433 38.970 38.460 0.128 0.000 0.991 124 Y HN -0.437 7.853 8.280 0.068 0.031 0.545 125 V N -7.273 112.750 119.914 0.181 0.000 3.528 125 V HA 0.224 4.344 4.120 -0.000 0.000 0.294 125 V C -0.318 175.813 176.094 0.063 0.000 1.404 125 V CA -1.292 61.073 62.300 0.109 0.000 1.065 125 V CB -0.001 31.887 31.823 0.108 0.000 0.904 125 V HN -0.450 7.825 8.190 0.179 0.022 0.435 126 Q N 2.296 122.124 119.800 0.047 0.000 2.311 126 Q HA -0.003 4.337 4.340 -0.000 0.000 0.272 126 Q C 1.811 177.822 176.000 0.018 0.000 1.012 126 Q CA 0.646 56.465 55.803 0.026 0.000 0.891 126 Q CB -0.497 28.249 28.738 0.013 0.000 1.201 126 Q HN -0.493 7.805 8.270 0.048 0.000 0.391 127 G N 2.990 111.800 108.800 0.016 0.000 2.179 127 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.260 127 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.260 127 G C 0.106 175.013 174.900 0.012 0.000 0.977 127 G CA 0.609 45.715 45.100 0.011 0.000 0.641 127 G HN 0.655 8.956 8.290 0.018 0.000 0.533 128 c N 0.242 118.852 118.600 0.016 0.000 2.618 128 c HA 0.126 4.696 4.570 -0.000 0.000 0.264 128 c C 0.690 174.786 174.090 0.011 0.000 1.334 128 c CA -0.755 55.581 56.329 0.011 0.000 1.731 128 c CB -0.460 42.057 42.510 0.012 0.000 1.852 128 c HN -0.355 7.822 8.230 0.021 0.066 0.566 129 G N -1.043 107.765 108.800 0.014 0.000 2.198 129 G HA2 -0.428 3.532 3.960 -0.000 0.000 0.257 129 G HA3 -0.428 3.532 3.960 -0.000 0.000 0.257 129 G C -0.520 174.389 174.900 0.015 0.000 1.042 129 G CA 0.724 45.832 45.100 0.013 0.000 0.791 129 G HN 0.123 8.376 8.290 0.016 0.046 0.502 130 V N 0.000 119.926 119.914 0.020 0.000 2.409 130 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 130 V CA 0.000 62.314 62.300 0.024 0.000 1.235 130 V CB 0.000 31.838 31.823 0.026 0.000 1.184 130 V HN 0.000 8.204 8.190 0.023 0.000 0.556