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 1nsd_1_A DATA FIRST_RESID 76 DATA SEQUENCE EPEWTYPRLS cQGSTFQKAL LISPHRFGEA RGNSAPLIIR EPFIAcGPKE DATA SEQUENCE cKHFALTHYA AQPGGYYNGT REDRNKLRHL ISVKLGKIPT VENSIFHMAA DATA SEQUENCE WSGSAcHDGR EWTYIGVDGP DSNALIKIKY GEAYTDTYHS YANNILRTQE DATA SEQUENCE SAcNcIGGDc YLMITDGSAS GISKCRFLKI REGRIIKEIF PTGRVEHTEE DATA SEQUENCE cTcGFASNKT IEcAcRDNSY TAKRPFVKLN VETDTAEIRL McTETYLDTP DATA SEQUENCE RPDDGSITGP cESNGDKGRG GIKGGFVHQR MASKIGRWYS RTMSKTERMG DATA SEQUENCE MELYVRYDGD PWTDSDALAH SGVMVSMKEP GWYSFGFEIK DKKcDVPcIG DATA SEQUENCE IEMVHDGGKK TWHSAATAIY cLMGSGQLLW DTVTGVDMAL 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 76 E HA 0.000 nan 4.350 nan 0.000 0.291 76 E C 0.000 176.510 176.600 -0.150 0.000 1.382 76 E CA 0.000 56.332 56.400 -0.114 0.000 0.976 76 E CB 0.000 29.621 29.700 -0.131 0.000 0.812 77 P HA 0.048 nan 4.420 nan 0.000 0.270 77 P C -0.864 176.292 177.300 -0.240 0.000 1.223 77 P CA -0.334 62.677 63.100 -0.148 0.000 0.785 77 P CB 0.536 32.175 31.700 -0.102 0.000 0.923 78 E N -0.691 119.422 120.200 -0.145 0.000 2.374 78 E HA -0.078 nan 4.350 nan 0.000 0.260 78 E C -0.127 176.416 176.600 -0.095 0.000 1.101 78 E CA 0.171 56.493 56.400 -0.131 0.000 0.907 78 E CB 1.709 31.413 29.700 0.006 0.000 1.014 78 E HN 0.189 8.501 8.360 -0.080 0.000 0.427 79 W N -1.160 120.157 121.300 0.027 0.000 2.170 79 W HA -0.022 nan 4.660 nan 0.000 0.336 79 W C 0.312 176.787 176.519 -0.074 0.000 1.283 79 W CA -0.516 56.790 57.345 -0.064 0.000 1.224 79 W CB 0.793 30.170 29.460 -0.139 0.000 1.132 79 W HN -0.136 8.073 8.180 0.047 0.000 0.571 80 T N 3.872 118.504 114.554 0.129 0.000 2.907 80 T HA 0.198 nan 4.350 nan 0.000 0.298 80 T C -1.390 173.157 174.700 -0.255 0.000 1.017 80 T CA 1.105 63.221 62.100 0.026 0.000 1.118 80 T CB 0.931 69.829 68.868 0.050 0.000 0.948 80 T HN 0.360 8.613 8.240 0.196 0.105 0.531 81 Y N 1.254 121.521 120.300 -0.054 0.000 2.576 81 Y HA 0.404 nan 4.550 nan 0.000 0.346 81 Y C -2.126 173.629 175.900 -0.241 0.000 1.018 81 Y CA -3.511 54.480 58.100 -0.183 0.000 1.050 81 Y CB 2.489 40.871 38.460 -0.130 0.000 1.280 81 Y HN 0.029 8.413 8.280 0.174 0.000 0.474 82 P HA 0.222 nan 4.420 nan 0.000 0.271 82 P C -1.577 175.684 177.300 -0.066 0.000 1.216 82 P CA -0.228 62.749 63.100 -0.205 0.000 0.776 82 P CB 0.532 31.998 31.700 -0.389 0.000 0.881 83 R N 1.079 121.568 120.500 -0.019 0.000 2.943 83 R HA 0.370 nan 4.340 nan 0.000 0.246 83 R C -0.757 175.546 176.300 0.004 0.000 1.201 83 R CA -2.495 53.601 56.100 -0.006 0.000 1.056 83 R CB 3.118 33.421 30.300 0.005 0.000 1.243 83 R HN 0.377 8.977 8.270 -0.006 -0.334 0.498 84 L N 0.268 121.496 121.223 0.007 0.000 2.483 84 L HA 0.052 nan 4.340 nan 0.000 0.276 84 L C 0.453 177.338 176.870 0.025 0.000 1.213 84 L CA 0.554 55.406 54.840 0.021 0.000 0.843 84 L CB 0.212 42.281 42.059 0.018 0.000 1.107 84 L HN 0.310 8.540 8.230 0.000 0.000 0.487 85 S N 2.002 117.726 115.700 0.041 0.000 2.593 85 S HA 0.030 nan 4.470 nan 0.000 0.269 85 S C 0.319 174.928 174.600 0.016 0.000 1.334 85 S CA 0.834 59.052 58.200 0.030 0.000 1.015 85 S CB 0.688 63.921 63.200 0.055 0.000 0.912 85 S HN -0.055 8.183 8.310 0.058 0.107 0.541 86 c N 1.810 120.404 118.600 -0.011 0.000 2.700 86 c HA 0.003 nan 4.570 nan 0.000 0.397 86 c C 0.360 174.446 174.090 -0.006 0.000 1.301 86 c CA 0.049 56.367 56.329 -0.017 0.000 2.219 86 c CB 0.152 42.638 42.510 -0.042 0.000 2.699 86 c HN 0.189 8.402 8.230 -0.028 0.000 0.669 87 Q N 3.201 123.000 119.800 -0.002 0.000 2.394 87 Q HA -0.019 nan 4.340 nan 0.000 0.248 87 Q C -0.208 175.796 176.000 0.006 0.000 0.992 87 Q CA 0.426 56.237 55.803 0.014 0.000 0.888 87 Q CB 1.140 29.884 28.738 0.010 0.000 1.257 87 Q HN 0.352 8.617 8.270 -0.008 0.000 0.462 88 G N -0.219 108.603 108.800 0.037 0.000 2.358 88 G HA2 -0.040 nan 3.960 nan 0.000 0.303 88 G HA3 -0.040 nan 3.960 nan 0.000 0.303 88 G C -1.924 173.053 174.900 0.129 0.000 1.537 88 G CA 0.118 45.242 45.100 0.040 0.000 0.928 88 G HN -0.228 8.099 8.290 0.061 0.000 0.656 89 S N -1.744 114.056 115.700 0.166 0.000 2.893 89 S HA 0.195 nan 4.470 nan 0.000 0.258 89 S C -0.566 174.281 174.600 0.413 0.000 1.034 89 S CA -0.903 57.483 58.200 0.310 0.000 1.167 89 S CB 2.549 65.877 63.200 0.213 0.000 1.137 89 S HN 0.505 8.886 8.310 0.118 0.000 0.650 90 T N 0.583 115.306 114.554 0.282 0.000 2.868 90 T HA 0.396 nan 4.350 nan 0.000 0.306 90 T C -2.337 172.466 174.700 0.171 0.000 1.224 90 T CA -0.403 61.889 62.100 0.320 0.000 1.012 90 T CB 2.548 71.555 68.868 0.233 0.000 1.221 90 T HN -0.863 7.470 8.240 0.155 0.000 0.499 91 F N 1.135 121.014 119.950 -0.117 0.000 2.403 91 F HA 0.759 nan 4.527 nan 0.000 0.326 91 F C -0.706 175.122 175.800 0.047 0.000 1.081 91 F CA -1.628 56.291 58.000 -0.136 0.000 1.041 91 F CB 1.887 40.778 39.000 -0.183 0.000 1.234 91 F HN 0.385 8.906 8.300 0.368 0.000 0.503 92 Q N -1.801 118.103 119.800 0.174 0.000 2.501 92 Q HA 0.345 nan 4.340 nan 0.000 0.288 92 Q C -1.773 174.175 176.000 -0.085 0.000 1.051 92 Q CA -2.436 53.444 55.803 0.129 0.000 0.788 92 Q CB 4.593 33.342 28.738 0.018 0.000 1.469 92 Q HN 0.547 8.838 8.270 0.036 0.000 0.416 93 K N 1.520 121.753 120.400 -0.278 0.000 2.416 93 K HA -0.127 nan 4.320 nan 0.000 0.283 93 K C -0.869 175.497 176.600 -0.389 0.000 1.037 93 K CA 0.805 56.607 56.287 -0.808 0.000 0.995 93 K CB 0.311 32.601 32.500 -0.349 0.000 0.938 93 K HN 0.371 8.616 8.250 -0.009 0.000 0.475 94 A N 8.043 130.615 122.820 -0.413 0.000 1.938 94 A HA 0.240 nan 4.320 nan 0.000 0.207 94 A C -1.307 176.216 177.584 -0.102 0.000 1.292 94 A CA 0.862 52.789 52.037 -0.184 0.000 0.700 94 A CB 1.496 20.419 19.000 -0.129 0.000 0.947 94 A HN 0.836 8.611 8.150 -0.625 0.000 0.476 95 L N -3.959 117.212 121.223 -0.087 0.000 2.643 95 L HA 0.278 nan 4.340 nan 0.000 0.256 95 L C -2.803 174.074 176.870 0.011 0.000 0.931 95 L CA 0.431 55.262 54.840 -0.014 0.000 0.895 95 L CB 3.677 45.745 42.059 0.014 0.000 1.430 95 L HN -0.564 7.583 8.230 -0.139 0.000 0.419 96 L N 4.394 125.638 121.223 0.035 0.000 2.381 96 L HA 0.763 nan 4.340 nan 0.000 0.274 96 L C -1.837 175.079 176.870 0.078 0.000 0.988 96 L CA -0.659 54.218 54.840 0.061 0.000 0.824 96 L CB 2.479 44.570 42.059 0.053 0.000 1.263 96 L HN 0.162 8.415 8.230 0.039 0.000 0.410 97 I N 7.956 128.588 120.570 0.104 0.000 2.359 97 I HA 0.249 nan 4.170 nan 0.000 0.284 97 I C -1.581 174.618 176.117 0.137 0.000 1.018 97 I CA -1.349 60.032 61.300 0.135 0.000 1.173 97 I CB -0.183 37.938 38.000 0.202 0.000 1.326 97 I HN 0.860 9.137 8.210 0.111 0.000 0.462 98 S N 7.428 123.190 115.700 0.103 0.000 2.150 98 S HA 0.490 nan 4.470 nan 0.000 0.171 98 S C -1.228 173.372 174.600 -0.001 0.000 1.620 98 S CA -4.566 53.682 58.200 0.080 0.000 1.190 98 S CB 0.403 63.622 63.200 0.032 0.000 1.102 98 S HN 0.527 8.899 8.310 0.104 0.000 0.464 99 P HA -0.083 nan 4.420 nan 0.000 0.221 99 P C 0.608 177.712 177.300 -0.327 0.000 1.150 99 P CA 1.521 64.546 63.100 -0.126 0.000 0.800 99 P CB 0.169 31.710 31.700 -0.266 0.000 0.787 100 H N -4.116 114.911 119.070 -0.071 0.000 2.547 100 H HA 0.068 nan 4.556 nan 0.000 0.266 100 H C 1.656 176.814 175.328 -0.283 0.000 0.988 100 H CA 1.644 57.564 56.048 -0.214 0.000 1.147 100 H CB -0.708 28.886 29.762 -0.279 0.000 1.365 100 H HN 0.131 8.317 8.280 -0.079 0.047 0.589 101 R N -0.495 119.771 120.500 -0.390 0.000 2.285 101 R HA -0.200 nan 4.340 nan 0.000 0.213 101 R C 0.377 176.213 176.300 -0.774 0.000 1.068 101 R CA 1.924 57.645 56.100 -0.633 0.000 1.004 101 R CB -0.739 29.010 30.300 -0.917 0.000 0.873 101 R HN -0.256 7.634 8.270 -0.376 0.154 0.467 102 F N -4.845 115.057 119.950 -0.079 0.000 2.683 102 F HA 0.281 nan 4.527 nan 0.000 0.306 102 F C -0.331 175.410 175.800 -0.098 0.000 1.102 102 F CA -1.194 56.758 58.000 -0.080 0.000 1.244 102 F CB -0.085 38.861 39.000 -0.090 0.000 1.029 102 F HN -0.687 7.344 8.300 -0.342 0.063 0.545 103 G N -1.231 107.553 108.800 -0.026 0.000 3.434 103 G HA2 0.040 nan 3.960 nan 0.000 0.258 103 G HA3 0.040 nan 3.960 nan 0.000 0.258 103 G C -0.970 173.894 174.900 -0.060 0.000 1.128 103 G CA -0.415 44.642 45.100 -0.073 0.000 0.792 103 G HN -0.670 7.493 8.290 -0.085 0.076 0.539 104 E N 0.170 120.364 120.200 -0.011 0.000 2.398 104 E HA -0.119 nan 4.350 nan 0.000 0.263 104 E C 0.336 176.948 176.600 0.019 0.000 1.046 104 E CA -0.052 56.354 56.400 0.010 0.000 0.908 104 E CB 0.806 30.518 29.700 0.021 0.000 0.963 104 E HN -0.349 7.933 8.360 0.009 0.083 0.431 105 A N 5.978 128.819 122.820 0.035 0.000 2.019 105 A HA -0.204 nan 4.320 nan 0.000 0.219 105 A C 0.254 177.853 177.584 0.025 0.000 1.164 105 A CA 2.363 54.422 52.037 0.036 0.000 0.644 105 A CB -0.741 18.289 19.000 0.051 0.000 0.805 105 A HN 0.353 8.415 8.150 0.046 0.116 0.449 106 R N -2.591 117.924 120.500 0.025 0.000 2.310 106 R HA 0.028 nan 4.340 nan 0.000 0.202 106 R C 0.342 176.655 176.300 0.021 0.000 0.933 106 R CA -0.139 55.974 56.100 0.020 0.000 1.054 106 R CB -0.114 30.198 30.300 0.021 0.000 0.985 106 R HN 0.012 8.289 8.270 0.028 0.010 0.489 107 G N 1.038 109.853 108.800 0.026 0.000 2.525 107 G HA2 -0.049 nan 3.960 nan 0.000 0.287 107 G HA3 -0.049 nan 3.960 nan 0.000 0.287 107 G C -0.816 174.095 174.900 0.019 0.000 1.350 107 G CA -0.519 44.600 45.100 0.033 0.000 1.039 107 G HN -0.114 8.003 8.290 0.025 0.188 0.513 108 N N -1.800 116.909 118.700 0.014 0.000 2.299 108 N HA 0.234 nan 4.740 nan 0.000 0.246 108 N C -0.954 174.546 175.510 -0.017 0.000 1.254 108 N CA -0.165 52.883 53.050 -0.004 0.000 0.879 108 N CB 0.809 39.288 38.487 -0.013 0.000 1.214 108 N HN 0.243 8.638 8.380 0.025 0.000 0.510 109 S N 0.986 116.682 115.700 -0.007 0.000 2.664 109 S HA 0.187 nan 4.470 nan 0.000 0.304 109 S C -1.609 172.979 174.600 -0.019 0.000 1.099 109 S CA -0.854 57.330 58.200 -0.027 0.000 1.003 109 S CB 1.749 64.936 63.200 -0.021 0.000 1.092 109 S HN -0.455 7.864 8.310 0.014 0.000 0.525 110 A N 1.542 124.341 122.820 -0.034 0.000 3.248 110 A HA 0.438 nan 4.320 nan 0.000 0.315 110 A C -2.622 174.933 177.584 -0.047 0.000 0.974 110 A CA -3.079 48.944 52.037 -0.024 0.000 0.939 110 A CB 0.343 19.337 19.000 -0.010 0.000 1.061 110 A HN 0.167 8.287 8.150 -0.051 0.000 0.481 111 P HA 0.013 nan 4.420 nan 0.000 0.265 111 P C -1.216 176.029 177.300 -0.091 0.000 1.193 111 P CA 0.103 63.104 63.100 -0.165 0.000 0.765 111 P CB 0.292 31.771 31.700 -0.368 0.000 0.823 112 L N 2.413 123.593 121.223 -0.073 0.000 2.417 112 L HA 0.227 nan 4.340 nan 0.000 0.268 112 L C 0.076 177.014 176.870 0.114 0.000 1.158 112 L CA -0.461 54.386 54.840 0.012 0.000 0.819 112 L CB 0.656 42.679 42.059 -0.060 0.000 1.112 112 L HN -0.254 7.903 8.230 -0.122 0.000 0.458 113 I N 1.537 122.217 120.570 0.184 0.000 2.441 113 I HA 0.008 nan 4.170 nan 0.000 0.287 113 I C -0.960 175.287 176.117 0.217 0.000 1.049 113 I CA 0.919 62.363 61.300 0.240 0.000 1.381 113 I CB -0.037 38.118 38.000 0.258 0.000 1.409 113 I HN 0.403 8.719 8.210 0.178 0.000 0.523 114 I N 1.560 122.251 120.570 0.201 0.000 3.181 114 I HA 0.866 nan 4.170 nan 0.000 0.311 114 I C -1.842 174.346 176.117 0.118 0.000 1.287 114 I CA -1.750 59.628 61.300 0.130 0.000 0.958 114 I CB 4.313 42.334 38.000 0.035 0.000 1.294 114 I HN -0.191 8.148 8.210 0.215 0.000 0.467 115 R N -1.168 119.384 120.500 0.087 0.000 2.781 115 R HA 0.323 nan 4.340 nan 0.000 0.268 115 R C -1.476 174.866 176.300 0.070 0.000 1.047 115 R CA -0.958 55.166 56.100 0.041 0.000 0.925 115 R CB 4.348 34.681 30.300 0.055 0.000 1.246 115 R HN -0.080 8.237 8.270 0.077 0.000 0.456 116 E N -2.708 117.530 120.200 0.065 0.000 2.210 116 E HA -0.299 nan 4.350 nan 0.000 0.201 116 E C -2.345 174.407 176.600 0.253 0.000 1.339 116 E CA 0.736 57.255 56.400 0.199 0.000 0.699 116 E CB -2.090 27.759 29.700 0.249 0.000 1.126 116 E HN -0.130 8.504 8.360 -0.032 -0.293 0.355 117 P HA 0.097 nan 4.420 nan 0.000 0.274 117 P C -1.715 175.599 177.300 0.023 0.000 1.231 117 P CA -0.013 63.190 63.100 0.171 0.000 0.790 117 P CB 0.842 32.720 31.700 0.297 0.000 0.951 118 F N -4.477 115.283 119.950 -0.317 0.000 2.713 118 F HA 0.337 nan 4.527 nan 0.000 0.311 118 F C -2.496 173.021 175.800 -0.472 0.000 1.141 118 F CA -2.247 55.096 58.000 -1.095 0.000 0.939 118 F CB 2.664 41.246 39.000 -0.696 0.000 1.325 118 F HN 0.408 8.419 8.300 -0.308 0.104 0.453 119 I N -0.708 119.669 120.570 -0.321 0.000 2.646 119 I HA 0.731 nan 4.170 nan 0.000 0.299 119 I C -1.577 174.599 176.117 0.099 0.000 1.036 119 I CA -1.528 59.620 61.300 -0.253 0.000 1.074 119 I CB 3.961 41.429 38.000 -0.887 0.000 1.258 119 I HN 0.253 8.221 8.210 -0.403 0.000 0.430 120 A N 3.965 126.966 122.820 0.301 0.000 2.520 120 A HA 0.573 nan 4.320 nan 0.000 0.298 120 A C -2.635 175.269 177.584 0.533 0.000 1.051 120 A CA -1.023 51.310 52.037 0.494 0.000 0.690 120 A CB 3.364 22.771 19.000 0.678 0.000 1.281 120 A HN 0.164 8.465 8.150 0.251 0.000 0.402 121 c N 0.874 119.722 118.600 0.413 0.000 2.561 121 c HA 0.944 nan 4.570 nan 0.000 0.319 121 c C 0.297 174.425 174.090 0.064 0.000 1.198 121 c CA -1.673 54.838 56.329 0.302 0.000 1.665 121 c CB 2.925 45.593 42.510 0.263 0.000 2.258 121 c HN 0.668 9.126 8.230 0.379 0.000 0.493 122 G N 0.607 109.331 108.800 -0.128 0.000 2.671 122 G HA2 0.514 nan 3.960 nan 0.000 0.275 122 G HA3 0.514 nan 3.960 nan 0.000 0.275 122 G C -2.036 172.730 174.900 -0.224 0.000 1.368 122 G CA -1.263 43.520 45.100 -0.529 0.000 1.044 122 G HN 0.754 9.067 8.290 0.040 0.000 0.543 123 P HA -0.036 nan 4.420 nan 0.000 0.217 123 P C 0.114 177.388 177.300 -0.043 0.000 1.150 123 P CA 2.169 65.224 63.100 -0.074 0.000 0.832 123 P CB 0.269 31.943 31.700 -0.044 0.000 0.787 124 K N -4.235 116.131 120.400 -0.055 0.000 2.391 124 K HA 0.170 nan 4.320 nan 0.000 0.197 124 K C 0.317 176.927 176.600 0.017 0.000 1.087 124 K CA -0.524 55.757 56.287 -0.010 0.000 1.012 124 K CB 0.906 33.405 32.500 -0.002 0.000 0.925 124 K HN -0.186 7.997 8.250 -0.113 0.000 0.547 125 E N -0.636 119.584 120.200 0.033 0.000 2.412 125 E HA 0.153 nan 4.350 nan 0.000 0.279 125 E C -2.507 174.184 176.600 0.153 0.000 0.984 125 E CA -0.790 55.661 56.400 0.085 0.000 0.788 125 E CB 2.827 32.587 29.700 0.099 0.000 1.277 125 E HN -0.427 7.931 8.360 -0.003 0.000 0.455 126 c N 0.576 119.256 118.600 0.134 0.000 2.493 126 c HA 0.837 nan 4.570 nan 0.000 0.326 126 c C -1.046 173.063 174.090 0.032 0.000 1.200 126 c CA -1.795 54.631 56.329 0.161 0.000 1.739 126 c CB 2.635 45.215 42.510 0.117 0.000 2.300 126 c HN 0.684 8.965 8.230 0.084 0.000 0.500 127 K N 1.364 121.735 120.400 -0.048 0.000 2.203 127 K HA 0.655 nan 4.320 nan 0.000 0.251 127 K C -1.921 174.420 176.600 -0.431 0.000 0.944 127 K CA -1.344 54.685 56.287 -0.430 0.000 0.829 127 K CB 3.119 35.017 32.500 -1.003 0.000 1.125 127 K HN 0.568 8.910 8.250 0.153 0.000 0.430 128 H N 3.680 122.383 119.070 -0.612 0.000 2.623 128 H HA 0.484 nan 4.556 nan 0.000 0.299 128 H C -1.078 173.839 175.328 -0.685 0.000 1.052 128 H CA -2.458 53.297 56.048 -0.488 0.000 1.231 128 H CB 1.549 31.133 29.762 -0.296 0.000 1.389 128 H HN 0.609 8.615 8.280 -0.457 0.000 0.469 129 F N 6.781 126.456 119.950 -0.458 0.000 2.403 129 F HA 0.518 nan 4.527 nan 0.000 0.326 129 F C -1.494 173.979 175.800 -0.546 0.000 1.081 129 F CA -1.093 56.508 58.000 -0.665 0.000 1.041 129 F CB 2.548 40.815 39.000 -1.222 0.000 1.234 129 F HN 0.553 8.656 8.300 -0.329 0.000 0.503 130 A N -1.441 121.273 122.820 -0.177 0.000 2.586 130 A HA 0.764 nan 4.320 nan 0.000 0.290 130 A C -2.646 174.932 177.584 -0.011 0.000 1.086 130 A CA -0.264 51.727 52.037 -0.077 0.000 0.665 130 A CB 3.439 22.363 19.000 -0.126 0.000 1.279 130 A HN 0.216 8.297 8.150 -0.116 0.000 0.423 131 L N -1.311 119.939 121.223 0.045 0.000 2.262 131 L HA 0.558 nan 4.340 nan 0.000 0.288 131 L C -0.510 176.360 176.870 0.001 0.000 1.035 131 L CA -1.372 53.496 54.840 0.046 0.000 0.820 131 L CB 0.571 42.689 42.059 0.098 0.000 1.204 131 L HN 0.097 8.371 8.230 0.073 0.000 0.424 132 T N 5.522 120.061 114.554 -0.024 0.000 2.904 132 T HA 0.225 nan 4.350 nan 0.000 0.290 132 T C 0.329 175.065 174.700 0.060 0.000 1.018 132 T CA -0.804 61.298 62.100 0.003 0.000 1.075 132 T CB 1.325 70.132 68.868 -0.101 0.000 0.986 132 T HN 0.572 8.791 8.240 -0.035 0.000 0.523 133 H N 7.490 126.669 119.070 0.183 0.000 2.524 133 H HA 0.041 nan 4.556 nan 0.000 0.280 133 H C -0.194 175.316 175.328 0.303 0.000 1.018 133 H CA -0.423 55.767 56.048 0.236 0.000 1.165 133 H CB 0.185 30.075 29.762 0.212 0.000 1.411 133 H HN 0.416 8.867 8.280 0.284 0.000 0.569 134 Y N -2.736 117.696 120.300 0.220 0.000 3.305 134 Y HA -0.570 nan 4.550 nan 0.000 0.209 134 Y C -1.531 174.444 175.900 0.125 0.000 1.354 134 Y CA 0.320 58.525 58.100 0.176 0.000 1.392 134 Y CB -1.980 36.531 38.460 0.085 0.000 1.446 134 Y HN -0.341 8.010 8.280 0.249 0.078 0.553 135 A N -2.273 120.735 122.820 0.314 0.000 2.604 135 A HA 0.246 nan 4.320 nan 0.000 0.295 135 A C -2.868 174.870 177.584 0.256 0.000 1.067 135 A CA -0.506 51.719 52.037 0.312 0.000 0.683 135 A CB 3.461 22.686 19.000 0.376 0.000 1.281 135 A HN -0.361 7.949 8.150 0.266 0.000 0.407 136 A N 0.295 123.258 122.820 0.237 0.000 2.350 136 A HA 0.910 nan 4.320 nan 0.000 0.318 136 A C -2.056 175.633 177.584 0.175 0.000 1.132 136 A CA -1.076 51.056 52.037 0.158 0.000 0.811 136 A CB 2.833 21.895 19.000 0.103 0.000 1.313 136 A HN 0.200 8.513 8.150 0.272 0.000 0.454 137 Q N -0.398 119.435 119.800 0.055 0.000 2.331 137 Q HA 0.481 nan 4.340 nan 0.000 0.267 137 Q C -2.760 173.217 176.000 -0.038 0.000 1.006 137 Q CA -4.030 51.746 55.803 -0.046 0.000 0.818 137 Q CB 2.801 31.265 28.738 -0.457 0.000 1.276 137 Q HN -0.181 8.101 8.270 0.021 0.000 0.450 138 P HA 0.304 nan 4.420 nan 0.000 0.274 138 P C -1.914 175.431 177.300 0.076 0.000 1.231 138 P CA -0.393 62.755 63.100 0.080 0.000 0.790 138 P CB 0.951 32.680 31.700 0.047 0.000 0.951 139 G N 0.156 108.968 108.800 0.021 0.000 2.428 139 G HA2 -0.009 nan 3.960 nan 0.000 0.304 139 G HA3 -0.009 nan 3.960 nan 0.000 0.304 139 G C -1.168 173.444 174.900 -0.480 0.000 1.303 139 G CA 0.545 45.577 45.100 -0.115 0.000 0.825 139 G HN -0.576 7.741 8.290 0.045 0.000 0.484 140 G N -1.645 106.851 108.800 -0.506 0.000 3.519 140 G HA2 0.256 nan 3.960 nan 0.000 0.269 140 G HA3 0.256 nan 3.960 nan 0.000 0.269 140 G C -0.194 174.273 174.900 -0.722 0.000 1.028 140 G CA 0.165 44.853 45.100 -0.687 0.000 0.809 140 G HN 0.049 8.122 8.290 -0.362 0.000 0.521 141 Y N -1.223 118.972 120.300 -0.175 0.000 2.736 141 Y HA 0.312 nan 4.550 nan 0.000 0.293 141 Y C -0.128 175.877 175.900 0.175 0.000 1.062 141 Y CA -2.366 55.741 58.100 0.011 0.000 1.247 141 Y CB -0.857 37.647 38.460 0.073 0.000 1.200 141 Y HN -0.066 8.122 8.280 -0.154 0.000 0.552 142 Y N -1.485 118.912 120.300 0.163 0.000 2.293 142 Y HA -0.246 nan 4.550 nan 0.000 0.291 142 Y C 0.693 176.648 175.900 0.092 0.000 1.137 142 Y CA -0.252 57.940 58.100 0.153 0.000 1.202 142 Y CB -0.409 38.154 38.460 0.171 0.000 0.990 142 Y HN -0.281 7.851 8.280 -0.141 0.063 0.537 143 N N -0.341 118.496 118.700 0.227 0.000 2.440 143 N HA -0.236 nan 4.740 nan 0.000 0.265 143 N C 0.760 176.325 175.510 0.092 0.000 1.239 143 N CA 1.307 54.434 53.050 0.128 0.000 0.909 143 N CB -0.131 38.411 38.487 0.092 0.000 1.066 143 N HN -0.488 7.988 8.380 0.192 0.020 0.474 144 G N 3.965 112.782 108.800 0.028 0.000 2.176 144 G HA2 -0.341 nan 3.960 nan 0.000 0.232 144 G HA3 -0.341 nan 3.960 nan 0.000 0.232 144 G C 0.563 175.363 174.900 -0.167 0.000 0.986 144 G CA 0.383 45.474 45.100 -0.014 0.000 0.643 144 G HN 0.626 8.926 8.290 0.018 0.000 0.522 145 T N -3.687 110.732 114.554 -0.224 0.000 3.148 145 T HA -0.094 nan 4.350 nan 0.000 0.253 145 T C 0.596 175.039 174.700 -0.428 0.000 1.134 145 T CA 0.724 62.451 62.100 -0.621 0.000 1.051 145 T CB -0.338 68.418 68.868 -0.187 0.000 0.959 145 T HN -0.102 8.054 8.240 -0.065 0.045 0.525 146 R N -0.916 119.421 120.500 -0.273 0.000 2.393 146 R HA 0.037 nan 4.340 nan 0.000 0.244 146 R C -0.854 175.353 176.300 -0.154 0.000 0.920 146 R CA -0.289 55.601 56.100 -0.350 0.000 1.076 146 R CB 0.235 30.288 30.300 -0.412 0.000 1.119 146 R HN -0.115 7.970 8.270 -0.203 0.063 0.524 147 E N -0.006 120.167 120.200 -0.044 0.000 2.283 147 E HA 0.006 nan 4.350 nan 0.000 0.271 147 E C 0.060 176.770 176.600 0.184 0.000 1.031 147 E CA -0.852 55.579 56.400 0.052 0.000 0.868 147 E CB 1.837 31.566 29.700 0.049 0.000 1.094 147 E HN -0.722 7.404 8.360 -0.114 0.165 0.401 148 D N 2.579 123.030 120.400 0.084 0.000 2.240 148 D HA -0.079 nan 4.640 nan 0.000 0.206 148 D C 0.147 176.433 176.300 -0.022 0.000 0.963 148 D CA 2.122 56.162 54.000 0.067 0.000 0.863 148 D CB 0.824 41.630 40.800 0.010 0.000 0.973 148 D HN 0.418 8.800 8.370 0.020 0.000 0.501 149 R N -1.213 119.198 120.500 -0.148 0.000 2.574 149 R HA 0.178 nan 4.340 nan 0.000 0.288 149 R C -1.842 174.374 176.300 -0.140 0.000 1.004 149 R CA -0.348 55.520 56.100 -0.386 0.000 0.895 149 R CB 2.373 32.047 30.300 -1.042 0.000 1.191 149 R HN -0.087 8.116 8.270 -0.112 0.000 0.444 150 N N 1.032 119.759 118.700 0.046 0.000 3.339 150 N HA 0.039 nan 4.740 nan 0.000 0.275 150 N C -0.620 175.034 175.510 0.239 0.000 1.514 150 N CA -0.893 52.236 53.050 0.131 0.000 0.879 150 N CB 1.565 40.140 38.487 0.147 0.000 1.557 150 N HN -0.061 8.424 8.380 0.175 0.000 0.524 151 K N -0.345 120.162 120.400 0.178 0.000 2.487 151 K HA -0.015 nan 4.320 nan 0.000 0.192 151 K C 0.207 176.911 176.600 0.173 0.000 1.027 151 K CA 1.626 58.012 56.287 0.166 0.000 1.054 151 K CB -0.294 32.265 32.500 0.099 0.000 0.824 151 K HN 0.198 8.529 8.250 0.135 0.000 0.510 152 L N -2.502 118.845 121.223 0.207 0.000 2.609 152 L HA 0.044 nan 4.340 nan 0.000 0.230 152 L C 0.017 177.164 176.870 0.462 0.000 1.087 152 L CA -0.319 54.673 54.840 0.254 0.000 0.874 152 L CB 1.224 43.369 42.059 0.143 0.000 1.114 152 L HN 0.008 8.631 8.230 0.212 -0.265 0.488 153 R N -0.846 119.857 120.500 0.338 0.000 2.570 153 R HA -0.164 nan 4.340 nan 0.000 0.277 153 R C -0.596 175.926 176.300 0.370 0.000 1.039 153 R CA 1.238 57.510 56.100 0.286 0.000 1.065 153 R CB 0.237 30.624 30.300 0.145 0.000 0.964 153 R HN -0.634 8.015 8.270 0.282 -0.210 0.428 154 H N 1.535 120.707 119.070 0.170 0.000 2.821 154 H HA 0.562 nan 4.556 nan 0.000 0.373 154 H C -1.807 173.539 175.328 0.029 0.000 1.165 154 H CA -1.081 55.054 56.048 0.144 0.000 1.154 154 H CB 3.607 33.518 29.762 0.249 0.000 1.765 154 H HN -0.079 8.390 8.280 0.315 0.000 0.549 155 L N 2.488 123.787 121.223 0.128 0.000 2.319 155 L HA 0.513 nan 4.340 nan 0.000 0.280 155 L C -1.845 175.062 176.870 0.060 0.000 1.099 155 L CA -0.102 54.805 54.840 0.111 0.000 0.828 155 L CB 0.815 42.964 42.059 0.151 0.000 1.150 155 L HN 0.206 8.497 8.230 0.102 0.000 0.442 156 I N 1.469 122.004 120.570 -0.057 0.000 3.206 156 I HA 1.045 nan 4.170 nan 0.000 0.313 156 I C -2.228 173.801 176.117 -0.147 0.000 1.103 156 I CA -2.575 58.556 61.300 -0.280 0.000 0.985 156 I CB 3.818 41.403 38.000 -0.692 0.000 1.240 156 I HN 0.681 8.871 8.210 -0.034 0.000 0.464 157 S N -1.717 113.792 115.700 -0.319 0.000 2.588 157 S HA 0.691 nan 4.470 nan 0.000 0.269 157 S C -1.898 172.432 174.600 -0.451 0.000 1.157 157 S CA -1.080 56.806 58.200 -0.523 0.000 0.824 157 S CB 3.055 65.733 63.200 -0.870 0.000 1.126 157 S HN -0.040 8.022 8.310 -0.413 0.000 0.464 158 V N -7.163 112.478 119.914 -0.455 0.000 3.181 158 V HA 0.493 nan 4.120 nan 0.000 0.308 158 V C -1.978 173.943 176.094 -0.288 0.000 1.214 158 V CA -2.876 59.236 62.300 -0.314 0.000 1.053 158 V CB 3.558 35.235 31.823 -0.244 0.000 1.069 158 V HN 0.229 8.099 8.190 -0.533 0.000 0.441 159 K N 0.276 120.560 120.400 -0.193 0.000 2.401 159 K HA 0.111 nan 4.320 nan 0.000 0.278 159 K C -0.416 176.129 176.600 -0.092 0.000 1.018 159 K CA 0.496 56.700 56.287 -0.139 0.000 0.981 159 K CB 0.898 33.346 32.500 -0.086 0.000 0.933 159 K HN 0.216 8.366 8.250 -0.167 0.000 0.477 160 L N 5.726 126.906 121.223 -0.071 0.000 2.540 160 L HA -0.275 nan 4.340 nan 0.000 0.276 160 L C -0.109 176.757 176.870 -0.008 0.000 1.212 160 L CA 1.831 56.651 54.840 -0.032 0.000 0.893 160 L CB 0.012 42.043 42.059 -0.048 0.000 1.138 160 L HN 0.300 8.388 8.230 -0.076 0.097 0.491 161 G N 5.166 113.975 108.800 0.015 0.000 2.238 161 G HA2 -0.273 nan 3.960 nan 0.000 0.217 161 G HA3 -0.273 nan 3.960 nan 0.000 0.217 161 G C -0.082 174.823 174.900 0.007 0.000 0.996 161 G CA -0.047 45.062 45.100 0.015 0.000 0.632 161 G HN 0.430 8.744 8.290 0.041 0.000 0.503 162 K N 0.486 120.880 120.400 -0.010 0.000 2.209 162 K HA 0.472 nan 4.320 nan 0.000 0.238 162 K C -1.487 175.099 176.600 -0.023 0.000 1.028 162 K CA -1.799 54.465 56.287 -0.037 0.000 0.935 162 K CB 1.569 34.026 32.500 -0.072 0.000 1.162 162 K HN -0.291 7.884 8.250 -0.015 0.066 0.485 163 I N -0.300 120.237 120.570 -0.055 0.000 2.410 163 I HA 0.301 nan 4.170 nan 0.000 0.286 163 I C -2.207 173.845 176.117 -0.107 0.000 1.009 163 I CA -4.609 56.666 61.300 -0.041 0.000 1.111 163 I CB 0.679 38.657 38.000 -0.037 0.000 1.262 163 I HN -0.003 8.154 8.210 -0.088 0.000 0.443 164 P HA 0.130 nan 4.420 nan 0.000 0.263 164 P C -1.257 175.941 177.300 -0.170 0.000 1.601 164 P CA -0.521 62.453 63.100 -0.211 0.000 1.161 164 P CB -1.505 30.011 31.700 -0.308 0.000 1.730 165 T N -1.230 113.241 114.554 -0.138 0.000 2.910 165 T HA 0.516 nan 4.350 nan 0.000 0.279 165 T C 1.275 175.928 174.700 -0.078 0.000 0.989 165 T CA -2.342 59.696 62.100 -0.104 0.000 0.968 165 T CB 2.625 71.436 68.868 -0.095 0.000 1.135 165 T HN -0.324 7.814 8.240 -0.136 0.020 0.562 166 V N 0.399 120.295 119.914 -0.031 0.000 2.282 166 V HA -0.413 nan 4.120 nan 0.000 0.249 166 V C 1.784 177.885 176.094 0.013 0.000 1.057 166 V CA 3.990 66.304 62.300 0.023 0.000 1.032 166 V CB -0.638 31.197 31.823 0.020 0.000 0.645 166 V HN 0.364 8.534 8.190 -0.033 0.000 0.447 167 E N -2.280 117.904 120.200 -0.027 0.000 2.170 167 E HA -0.141 nan 4.350 nan 0.000 0.191 167 E C 1.260 177.826 176.600 -0.056 0.000 0.981 167 E CA 1.750 58.128 56.400 -0.036 0.000 0.830 167 E CB -0.102 29.570 29.700 -0.046 0.000 0.775 167 E HN -0.097 8.240 8.360 -0.037 0.000 0.470 168 N N -0.829 117.823 118.700 -0.081 0.000 2.331 168 N HA -0.114 nan 4.740 nan 0.000 0.180 168 N C 0.201 175.631 175.510 -0.132 0.000 1.019 168 N CA 1.737 54.724 53.050 -0.104 0.000 0.881 168 N CB 0.726 39.142 38.487 -0.120 0.000 0.972 168 N HN -0.469 7.861 8.380 -0.083 0.000 0.435 169 S N -1.854 113.758 115.700 -0.147 0.000 2.603 169 S HA 0.081 nan 4.470 nan 0.000 0.268 169 S C -1.003 173.484 174.600 -0.188 0.000 1.317 169 S CA 1.177 59.237 58.200 -0.233 0.000 1.012 169 S CB 1.201 64.192 63.200 -0.347 0.000 0.926 169 S HN -0.457 7.781 8.310 -0.120 0.000 0.539 170 I N 2.268 122.649 120.570 -0.314 0.000 2.433 170 I HA 0.122 nan 4.170 nan 0.000 0.292 170 I C -1.344 174.471 176.117 -0.505 0.000 1.001 170 I CA -0.759 60.349 61.300 -0.319 0.000 1.119 170 I CB 2.888 40.639 38.000 -0.414 0.000 1.289 170 I HN 0.276 8.250 8.210 -0.393 0.000 0.438 171 F N 7.285 126.994 119.950 -0.402 0.000 2.390 171 F HA 0.146 nan 4.527 nan 0.000 0.361 171 F C -0.673 174.955 175.800 -0.288 0.000 1.124 171 F CA -0.133 57.699 58.000 -0.280 0.000 1.149 171 F CB -0.221 38.669 39.000 -0.184 0.000 1.160 171 F HN 0.233 8.633 8.300 0.167 0.000 0.501 172 H N 2.248 121.323 119.070 0.008 0.000 2.399 172 H HA 0.090 nan 4.556 nan 0.000 0.300 172 H C -0.388 174.977 175.328 0.062 0.000 1.048 172 H CA 2.361 58.344 56.048 -0.107 0.000 1.370 172 H CB 2.322 31.874 29.762 -0.350 0.000 1.428 172 H HN 0.810 9.045 8.280 -0.076 0.000 0.534 173 M N -6.666 113.079 119.600 0.243 0.000 2.755 173 M HA 0.230 nan 4.480 nan 0.000 0.276 173 M C -3.041 173.186 176.300 -0.122 0.000 1.129 173 M CA -0.560 54.848 55.300 0.180 0.000 0.832 173 M CB 2.828 35.571 32.600 0.239 0.000 1.700 173 M HN -0.782 7.651 8.290 0.238 0.000 0.518 174 A N -0.721 121.864 122.820 -0.391 0.000 2.454 174 A HA 0.459 nan 4.320 nan 0.000 0.260 174 A C -1.574 175.830 177.584 -0.301 0.000 1.106 174 A CA 0.075 51.692 52.037 -0.700 0.000 0.780 174 A CB -0.224 18.521 19.000 -0.425 0.000 1.044 174 A HN 0.468 8.508 8.150 -0.182 0.000 0.498 175 A N 4.300 126.989 122.820 -0.218 0.000 2.555 175 A HA 0.547 nan 4.320 nan 0.000 0.297 175 A C -2.092 175.490 177.584 -0.003 0.000 1.060 175 A CA 0.353 52.286 52.037 -0.172 0.000 0.710 175 A CB 2.353 21.309 19.000 -0.074 0.000 1.282 175 A HN 0.128 8.049 8.150 -0.190 0.115 0.399 176 W N -2.210 119.105 121.300 0.024 0.000 2.846 176 W HA 0.370 nan 4.660 nan 0.000 0.391 176 W C -1.647 174.901 176.519 0.049 0.000 1.011 176 W CA -2.001 55.361 57.345 0.029 0.000 1.832 176 W CB 1.240 30.717 29.460 0.029 0.000 1.151 176 W HN 0.700 8.540 8.180 -0.566 0.000 0.582 177 S N -0.503 115.344 115.700 0.244 0.000 2.533 177 S HA 0.363 nan 4.470 nan 0.000 0.271 177 S C -2.071 172.575 174.600 0.076 0.000 1.143 177 S CA 0.202 58.531 58.200 0.214 0.000 0.891 177 S CB 2.089 65.456 63.200 0.277 0.000 1.105 177 S HN -0.836 7.425 8.310 0.003 0.051 0.468 178 G N 1.995 110.852 108.800 0.095 0.000 2.708 178 G HA2 0.657 nan 3.960 nan 0.000 0.289 178 G HA3 0.657 nan 3.960 nan 0.000 0.289 178 G C -3.278 171.588 174.900 -0.057 0.000 1.416 178 G CA -0.682 44.463 45.100 0.075 0.000 0.829 178 G HN 0.354 9.055 8.290 0.120 -0.339 0.480 179 S N -2.099 113.556 115.700 -0.074 0.000 2.611 179 S HA 0.448 nan 4.470 nan 0.000 0.268 179 S C -2.490 172.045 174.600 -0.108 0.000 1.156 179 S CA -0.906 57.112 58.200 -0.304 0.000 0.817 179 S CB 1.901 64.939 63.200 -0.269 0.000 1.122 179 S HN 0.292 8.610 8.310 0.014 0.000 0.466 180 A N -0.569 122.171 122.820 -0.133 0.000 2.599 180 A HA 0.838 nan 4.320 nan 0.000 0.294 180 A C -2.215 175.403 177.584 0.058 0.000 1.055 180 A CA -0.168 51.779 52.037 -0.151 0.000 0.683 180 A CB 2.854 21.455 19.000 -0.665 0.000 1.278 180 A HN -0.050 7.983 8.150 -0.194 0.000 0.412 181 c N -3.154 115.516 118.600 0.117 0.000 3.312 181 c HA 0.619 nan 4.570 nan 0.000 0.332 181 c C -2.133 171.929 174.090 -0.047 0.000 1.340 181 c CA -1.460 54.950 56.329 0.136 0.000 1.265 181 c CB 3.584 46.134 42.510 0.066 0.000 1.563 181 c HN 0.589 8.844 8.230 0.041 0.000 0.471 182 H N 1.709 120.552 119.070 -0.378 0.000 2.469 182 H HA 0.485 nan 4.556 nan 0.000 0.342 182 H C -0.869 174.306 175.328 -0.256 0.000 1.115 182 H CA -0.233 55.426 56.048 -0.649 0.000 1.204 182 H CB 3.284 32.318 29.762 -1.214 0.000 1.492 182 H HN 0.509 8.748 8.280 -0.068 0.000 0.499 183 D N 2.461 122.666 120.400 -0.325 0.000 2.349 183 D HA 0.050 nan 4.640 nan 0.000 0.214 183 D C 0.606 176.975 176.300 0.115 0.000 1.063 183 D CA -1.104 52.873 54.000 -0.038 0.000 0.847 183 D CB 0.836 41.669 40.800 0.055 0.000 0.933 183 D HN -0.168 7.872 8.370 -0.550 0.000 0.513 184 G N -0.624 108.209 108.800 0.055 0.000 2.278 184 G HA2 -0.372 nan 3.960 nan 0.000 0.210 184 G HA3 -0.372 nan 3.960 nan 0.000 0.210 184 G C -0.407 174.525 174.900 0.053 0.000 1.000 184 G CA 0.684 45.879 45.100 0.159 0.000 0.635 184 G HN -0.250 7.846 8.290 -0.226 0.058 0.495 185 R N -0.772 119.644 120.500 -0.140 0.000 2.243 185 R HA 0.136 nan 4.340 nan 0.000 0.193 185 R C -0.952 175.166 176.300 -0.302 0.000 0.933 185 R CA 0.667 56.666 56.100 -0.168 0.000 1.105 185 R CB 2.452 32.648 30.300 -0.173 0.000 1.169 185 R HN 0.131 8.573 8.270 -0.090 -0.226 0.599 186 E N -1.245 118.597 120.200 -0.596 0.000 2.430 186 E HA 0.184 nan 4.350 nan 0.000 0.279 186 E C -2.702 173.414 176.600 -0.807 0.000 1.003 186 E CA -1.256 54.770 56.400 -0.624 0.000 0.801 186 E CB 3.081 32.330 29.700 -0.752 0.000 1.313 186 E HN -0.076 8.346 8.360 -0.522 -0.376 0.459 187 W N -0.278 120.755 121.300 -0.444 0.000 2.316 187 W HA 0.343 nan 4.660 nan 0.000 0.311 187 W C -0.286 175.891 176.519 -0.570 0.000 1.217 187 W CA -0.622 56.459 57.345 -0.440 0.000 1.199 187 W CB 1.214 30.380 29.460 -0.490 0.000 1.202 187 W HN 0.068 8.188 8.180 -0.101 0.000 0.528 188 T N 6.003 120.445 114.554 -0.187 0.000 2.767 188 T HA 0.606 nan 4.350 nan 0.000 0.284 188 T C -1.390 173.125 174.700 -0.308 0.000 0.973 188 T CA 0.074 62.120 62.100 -0.090 0.000 0.996 188 T CB 0.601 69.493 68.868 0.040 0.000 0.927 188 T HN 0.846 9.011 8.240 -0.126 0.000 0.456 189 Y N 5.778 126.107 120.300 0.049 0.000 2.364 189 Y HA 0.668 nan 4.550 nan 0.000 0.340 189 Y C -1.409 174.472 175.900 -0.032 0.000 0.975 189 Y CA -2.015 56.051 58.100 -0.058 0.000 1.089 189 Y CB 2.725 41.115 38.460 -0.117 0.000 1.192 189 Y HN 0.955 9.168 8.280 0.069 0.109 0.454 190 I N 2.326 122.941 120.570 0.075 0.000 2.498 190 I HA 0.550 nan 4.170 nan 0.000 0.290 190 I C -1.346 174.785 176.117 0.023 0.000 1.032 190 I CA -0.949 60.370 61.300 0.031 0.000 1.073 190 I CB 3.048 41.028 38.000 -0.033 0.000 1.251 190 I HN 0.565 8.801 8.210 0.045 0.000 0.426 191 G N 4.664 113.467 108.800 0.005 0.000 2.659 191 G HA2 0.708 nan 3.960 nan 0.000 0.296 191 G HA3 0.708 nan 3.960 nan 0.000 0.296 191 G C -3.026 171.785 174.900 -0.148 0.000 1.369 191 G CA -1.117 43.955 45.100 -0.047 0.000 0.937 191 G HN 0.223 8.523 8.290 0.015 0.000 0.485 192 V N 1.040 120.775 119.914 -0.298 0.000 2.604 192 V HA 0.828 nan 4.120 nan 0.000 0.305 192 V C -1.784 173.708 176.094 -1.003 0.000 1.043 192 V CA -2.174 59.812 62.300 -0.524 0.000 0.888 192 V CB 2.085 33.580 31.823 -0.548 0.000 0.995 192 V HN 0.341 8.367 8.190 -0.273 0.000 0.429 193 D N 3.057 122.932 120.400 -0.876 0.000 2.838 193 D HA 0.289 nan 4.640 nan 0.000 0.334 193 D C -1.710 174.387 176.300 -0.338 0.000 1.315 193 D CA -1.951 51.446 54.000 -1.006 0.000 0.917 193 D CB 3.289 43.779 40.800 -0.518 0.000 1.435 193 D HN 0.324 8.378 8.370 -0.528 0.000 0.517 194 G N -4.841 103.977 108.800 0.030 0.000 2.479 194 G HA2 -0.201 nan 3.960 nan 0.000 0.686 194 G HA3 -0.201 nan 3.960 nan 0.000 0.686 194 G C -2.855 172.232 174.900 0.312 0.000 1.295 194 G CA -0.947 44.234 45.100 0.135 0.000 0.922 194 G HN -0.036 8.324 8.290 0.116 0.000 0.582 195 P HA 0.173 nan 4.420 nan 0.000 0.272 195 P C 0.240 177.655 177.300 0.191 0.000 1.223 195 P CA -0.307 62.893 63.100 0.167 0.000 0.784 195 P CB 0.601 32.353 31.700 0.087 0.000 0.923 196 D N 2.604 123.069 120.400 0.109 0.000 2.133 196 D HA -0.365 nan 4.640 nan 0.000 0.192 196 D C 1.899 178.236 176.300 0.062 0.000 1.001 196 D CA 3.994 58.028 54.000 0.056 0.000 0.844 196 D CB -0.452 40.324 40.800 -0.040 0.000 0.944 196 D HN 0.573 8.982 8.370 0.065 0.000 0.447 197 S N -5.129 110.596 115.700 0.041 0.000 2.607 197 S HA -0.107 nan 4.470 nan 0.000 0.224 197 S C -0.104 174.514 174.600 0.031 0.000 0.969 197 S CA 1.626 59.842 58.200 0.025 0.000 0.927 197 S CB -0.196 63.012 63.200 0.013 0.000 0.772 197 S HN -0.154 8.178 8.310 0.037 0.000 0.533 198 N N -0.151 118.582 118.700 0.056 0.000 2.725 198 N HA 0.065 nan 4.740 nan 0.000 0.225 198 N C -2.014 173.536 175.510 0.067 0.000 1.465 198 N CA 0.635 53.709 53.050 0.039 0.000 0.830 198 N CB 0.700 39.194 38.487 0.011 0.000 1.460 198 N HN -0.323 7.928 8.380 0.089 0.182 0.538 199 A N 0.059 122.943 122.820 0.106 0.000 2.240 199 A HA 0.423 nan 4.320 nan 0.000 0.292 199 A C -2.490 175.119 177.584 0.041 0.000 1.121 199 A CA -0.711 51.392 52.037 0.109 0.000 0.851 199 A CB 2.354 21.490 19.000 0.226 0.000 1.167 199 A HN -0.016 8.196 8.150 0.104 0.000 0.503 200 L N -2.823 118.379 121.223 -0.036 0.000 2.505 200 L HA 0.542 nan 4.340 nan 0.000 0.266 200 L C -1.825 175.014 176.870 -0.052 0.000 0.954 200 L CA -0.678 54.163 54.840 0.002 0.000 0.852 200 L CB 3.939 46.004 42.059 0.010 0.000 1.282 200 L HN 0.219 8.364 8.230 -0.141 0.000 0.403 201 I N 4.989 125.579 120.570 0.033 0.000 2.471 201 I HA 0.133 nan 4.170 nan 0.000 0.286 201 I C -1.270 174.863 176.117 0.027 0.000 1.079 201 I CA -0.034 61.275 61.300 0.014 0.000 1.398 201 I CB -0.706 37.339 38.000 0.075 0.000 1.403 201 I HN 0.506 8.783 8.210 0.112 0.000 0.530 202 K N 7.053 127.460 120.400 0.011 0.000 2.324 202 K HA 0.746 nan 4.320 nan 0.000 0.253 202 K C -1.613 175.043 176.600 0.092 0.000 0.932 202 K CA -1.263 55.064 56.287 0.066 0.000 0.799 202 K CB 3.165 35.710 32.500 0.075 0.000 1.154 202 K HN 0.627 8.863 8.250 -0.022 0.000 0.425 203 I N 3.066 123.708 120.570 0.120 0.000 2.509 203 I HA 0.605 nan 4.170 nan 0.000 0.293 203 I C -1.914 174.290 176.117 0.144 0.000 1.020 203 I CA -1.245 60.120 61.300 0.107 0.000 1.088 203 I CB 3.191 41.223 38.000 0.054 0.000 1.267 203 I HN 0.517 8.807 8.210 0.134 0.000 0.430 204 K N 5.459 125.944 120.400 0.141 0.000 2.324 204 K HA 0.656 nan 4.320 nan 0.000 0.253 204 K C -2.260 174.474 176.600 0.223 0.000 0.932 204 K CA -1.533 54.810 56.287 0.093 0.000 0.799 204 K CB 4.131 36.647 32.500 0.026 0.000 1.154 204 K HN 0.635 8.978 8.250 0.156 0.000 0.425 205 Y N 6.906 127.231 120.300 0.042 0.000 2.388 205 Y HA 0.284 nan 4.550 nan 0.000 0.328 205 Y C -0.614 175.345 175.900 0.098 0.000 0.963 205 Y CA -1.489 56.637 58.100 0.044 0.000 1.240 205 Y CB 1.480 39.950 38.460 0.015 0.000 1.118 205 Y HN 0.508 8.899 8.280 0.186 0.000 0.484 206 G N 9.663 118.431 108.800 -0.054 0.000 2.561 206 G HA2 -0.515 nan 3.960 nan 0.000 0.289 206 G HA3 -0.515 nan 3.960 nan 0.000 0.289 206 G C -0.674 174.308 174.900 0.136 0.000 1.169 206 G CA 1.213 46.349 45.100 0.060 0.000 0.980 206 G HN 0.546 8.793 8.290 -0.071 0.000 0.550 207 E N 2.989 123.218 120.200 0.047 0.000 2.385 207 E HA 0.002 nan 4.350 nan 0.000 0.194 207 E C -0.404 176.136 176.600 -0.099 0.000 1.013 207 E CA 0.364 56.759 56.400 -0.008 0.000 0.866 207 E CB 0.403 30.117 29.700 0.023 0.000 0.832 207 E HN 0.272 8.655 8.360 0.038 0.000 0.500 208 A N -0.250 122.540 122.820 -0.048 0.000 2.301 208 A HA 0.281 nan 4.320 nan 0.000 0.312 208 A C -1.591 175.925 177.584 -0.114 0.000 1.182 208 A CA -0.628 51.392 52.037 -0.029 0.000 0.826 208 A CB 1.414 20.463 19.000 0.083 0.000 1.134 208 A HN -0.730 7.381 8.150 0.014 0.047 0.501 209 Y N 2.011 122.379 120.300 0.112 0.000 2.359 209 Y HA -0.036 nan 4.550 nan 0.000 0.334 209 Y C 0.303 176.256 175.900 0.089 0.000 1.058 209 Y CA 0.814 58.974 58.100 0.100 0.000 1.244 209 Y CB 0.243 38.747 38.460 0.072 0.000 1.187 209 Y HN 0.378 8.803 8.280 0.243 0.000 0.510 210 T N 0.384 115.044 114.554 0.176 0.000 2.955 210 T HA 0.199 nan 4.350 nan 0.000 0.251 210 T C -1.131 173.619 174.700 0.084 0.000 1.002 210 T CA -0.566 61.603 62.100 0.116 0.000 0.970 210 T CB 2.112 71.031 68.868 0.085 0.000 1.091 210 T HN 0.760 9.100 8.240 0.166 0.000 0.495 211 D N -0.136 120.318 120.400 0.090 0.000 2.692 211 D HA 0.241 nan 4.640 nan 0.000 0.290 211 D C -2.463 173.877 176.300 0.067 0.000 1.281 211 D CA -0.207 53.828 54.000 0.059 0.000 0.804 211 D CB 3.171 43.986 40.800 0.025 0.000 1.331 211 D HN -0.775 7.667 8.370 0.121 0.000 0.432 212 T N -4.297 110.286 114.554 0.047 0.000 2.816 212 T HA 0.607 nan 4.350 nan 0.000 0.299 212 T C -2.191 172.542 174.700 0.054 0.000 1.230 212 T CA -1.602 60.532 62.100 0.058 0.000 1.007 212 T CB 2.846 71.752 68.868 0.062 0.000 1.289 212 T HN -0.099 8.156 8.240 0.026 0.000 0.508 213 Y N -0.812 119.438 120.300 -0.084 0.000 2.470 213 Y HA 0.390 nan 4.550 nan 0.000 0.341 213 Y C -1.867 174.026 175.900 -0.013 0.000 1.021 213 Y CA -0.959 57.063 58.100 -0.130 0.000 1.025 213 Y CB 4.139 42.559 38.460 -0.067 0.000 1.266 213 Y HN 0.223 8.590 8.280 0.146 0.000 0.448 214 H N 5.482 124.357 119.070 -0.324 0.000 2.495 214 H HA 0.423 nan 4.556 nan 0.000 0.350 214 H C -1.163 174.149 175.328 -0.027 0.000 1.202 214 H CA -1.470 54.491 56.048 -0.145 0.000 1.322 214 H CB 1.542 31.203 29.762 -0.169 0.000 1.544 214 H HN 0.289 7.965 8.280 -1.006 0.000 0.565 215 S N -0.338 115.447 115.700 0.142 0.000 2.533 215 S HA -0.123 nan 4.470 nan 0.000 0.282 215 S C -0.053 174.606 174.600 0.098 0.000 1.304 215 S CA 0.660 58.897 58.200 0.062 0.000 1.063 215 S CB 0.546 63.752 63.200 0.009 0.000 0.881 215 S HN 0.268 8.652 8.310 0.123 0.000 0.493 216 Y N 2.241 122.583 120.300 0.069 0.000 2.430 216 Y HA 0.315 nan 4.550 nan 0.000 0.248 216 Y C -1.029 174.908 175.900 0.061 0.000 1.108 216 Y CA -1.099 57.039 58.100 0.063 0.000 1.264 216 Y CB 0.263 38.780 38.460 0.094 0.000 1.172 216 Y HN 0.177 8.476 8.280 -0.374 -0.244 0.520 217 A N -2.185 120.514 122.820 -0.201 0.000 2.508 217 A HA 0.170 nan 4.320 nan 0.000 0.250 217 A C -0.690 176.848 177.584 -0.076 0.000 1.208 217 A CA -0.633 51.347 52.037 -0.094 0.000 0.960 217 A CB 1.398 20.302 19.000 -0.160 0.000 1.099 217 A HN -0.282 8.044 8.150 -0.484 -0.466 0.542 218 N N -3.250 115.401 118.700 -0.081 0.000 2.727 218 N HA -0.417 nan 4.740 nan 0.000 0.249 218 N C -1.522 173.970 175.510 -0.029 0.000 1.048 218 N CA 1.105 54.134 53.050 -0.035 0.000 0.714 218 N CB -0.734 37.747 38.487 -0.009 0.000 0.959 218 N HN -0.148 8.320 8.380 -0.123 -0.162 0.544 219 N N -1.325 117.344 118.700 -0.052 0.000 2.751 219 N HA 0.156 nan 4.740 nan 0.000 0.238 219 N C -1.371 174.120 175.510 -0.032 0.000 1.351 219 N CA -0.256 52.772 53.050 -0.036 0.000 0.751 219 N CB 0.925 39.387 38.487 -0.041 0.000 1.342 219 N HN -0.247 8.398 8.380 -0.094 -0.321 0.540 220 I N 0.428 121.010 120.570 0.020 0.000 7.474 220 I HA -0.531 nan 4.170 nan 0.000 0.126 220 I C -1.468 174.717 176.117 0.113 0.000 1.805 220 I CA 0.730 62.085 61.300 0.091 0.000 2.128 220 I CB -1.717 36.278 38.000 -0.009 0.000 3.592 220 I HN 0.532 8.761 8.210 0.031 0.000 0.196 221 L N 4.149 125.438 121.223 0.110 0.000 2.559 221 L HA -0.031 nan 4.340 nan 0.000 0.282 221 L C -1.029 175.940 176.870 0.166 0.000 1.232 221 L CA 1.191 56.059 54.840 0.048 0.000 0.885 221 L CB 0.222 42.303 42.059 0.038 0.000 1.131 221 L HN -0.065 8.235 8.230 0.115 0.000 0.498 222 R N 1.913 122.469 120.500 0.094 0.000 2.716 222 R HA 0.503 nan 4.340 nan 0.000 0.271 222 R C -2.362 173.957 176.300 0.032 0.000 1.028 222 R CA -1.301 54.881 56.100 0.137 0.000 0.883 222 R CB 2.883 33.306 30.300 0.205 0.000 1.250 222 R HN 0.250 8.537 8.270 0.028 0.000 0.465 223 T N -2.291 112.276 114.554 0.022 0.000 2.573 223 T HA 0.508 nan 4.350 nan 0.000 0.259 223 T C -0.032 174.637 174.700 -0.051 0.000 0.886 223 T CA -1.540 60.528 62.100 -0.054 0.000 1.110 223 T CB 1.962 70.778 68.868 -0.086 0.000 1.421 223 T HN 0.299 8.583 8.240 0.073 0.000 0.523 224 Q N 0.249 119.981 119.800 -0.114 0.000 2.172 224 Q HA -0.181 nan 4.340 nan 0.000 0.200 224 Q C 0.645 176.584 176.000 -0.101 0.000 0.964 224 Q CA 2.874 58.606 55.803 -0.119 0.000 0.855 224 Q CB 0.564 29.199 28.738 -0.172 0.000 0.918 224 Q HN 0.427 8.609 8.270 -0.148 0.000 0.444 225 E N -5.365 114.748 120.200 -0.144 0.000 2.791 225 E HA -0.346 nan 4.350 nan 0.000 0.271 225 E C -1.329 175.042 176.600 -0.382 0.000 1.044 225 E CA 1.043 57.383 56.400 -0.101 0.000 0.814 225 E CB -2.601 27.228 29.700 0.215 0.000 1.400 225 E HN 0.029 8.304 8.360 -0.142 0.000 0.423 226 S N -5.568 109.662 115.700 -0.784 0.000 2.636 226 S HA 0.194 nan 4.470 nan 0.000 0.268 226 S C -1.945 172.152 174.600 -0.838 0.000 1.159 226 S CA -1.753 55.941 58.200 -0.844 0.000 0.815 226 S CB 2.973 66.096 63.200 -0.127 0.000 1.130 226 S HN -0.845 7.021 8.310 -0.690 0.030 0.471 227 A N -0.629 121.974 122.820 -0.363 0.000 2.540 227 A HA 0.025 nan 4.320 nan 0.000 0.239 227 A C -0.121 177.418 177.584 -0.076 0.000 1.061 227 A CA 0.383 52.365 52.037 -0.092 0.000 0.758 227 A CB 0.039 19.154 19.000 0.191 0.000 0.991 227 A HN 0.370 8.456 8.150 -0.107 0.000 0.502 228 c N 0.323 118.887 118.600 -0.060 0.000 2.560 228 c HA 0.285 nan 4.570 nan 0.000 0.334 228 c C -0.161 173.954 174.090 0.042 0.000 1.404 228 c CA -2.342 53.975 56.329 -0.019 0.000 2.410 228 c CB 0.124 42.614 42.510 -0.032 0.000 2.268 228 c HN -0.299 7.892 8.230 -0.065 0.000 0.673 229 N N -0.225 118.508 118.700 0.056 0.000 2.410 229 N HA 0.220 nan 4.740 nan 0.000 0.287 229 N C -1.498 174.155 175.510 0.239 0.000 1.044 229 N CA -0.038 53.070 53.050 0.096 0.000 0.881 229 N CB 3.334 41.680 38.487 -0.234 0.000 1.405 229 N HN -0.272 8.148 8.380 0.066 0.000 0.490 230 c N 1.892 120.661 118.600 0.282 0.000 2.376 230 c HA 0.393 nan 4.570 nan 0.000 0.335 230 c C -1.041 173.137 174.090 0.147 0.000 1.229 230 c CA -1.390 55.047 56.329 0.181 0.000 1.867 230 c CB 1.221 43.740 42.510 0.015 0.000 2.319 230 c HN 0.453 8.844 8.230 0.269 0.000 0.515 231 I N 3.196 123.769 120.570 0.004 0.000 2.534 231 I HA 0.187 nan 4.170 nan 0.000 0.286 231 I C -0.534 175.282 176.117 -0.502 0.000 1.094 231 I CA -1.054 60.048 61.300 -0.330 0.000 1.055 231 I CB 3.101 40.986 38.000 -0.191 0.000 1.225 231 I HN 0.731 8.977 8.210 0.061 0.000 0.435 232 G N 9.015 117.255 108.800 -0.934 0.000 2.225 232 G HA2 -0.456 nan 3.960 nan 0.000 0.267 232 G HA3 -0.456 nan 3.960 nan 0.000 0.267 232 G C -0.328 173.910 174.900 -1.103 0.000 1.024 232 G CA 1.193 45.838 45.100 -0.758 0.000 0.784 232 G HN 0.960 8.530 8.290 -1.199 0.000 0.507 233 G N -2.823 105.301 108.800 -1.127 0.000 2.213 233 G HA2 -0.496 nan 3.960 nan 0.000 0.236 233 G HA3 -0.496 nan 3.960 nan 0.000 0.236 233 G C -0.931 173.489 174.900 -0.800 0.000 0.991 233 G CA -0.252 43.873 45.100 -1.624 0.000 0.629 233 G HN 0.230 8.075 8.290 -0.678 0.039 0.517 234 D N 2.800 122.891 120.400 -0.515 0.000 2.317 234 D HA 0.369 nan 4.640 nan 0.000 0.234 234 D C -0.599 175.554 176.300 -0.244 0.000 1.112 234 D CA -0.589 53.193 54.000 -0.365 0.000 0.840 234 D CB 0.262 40.908 40.800 -0.256 0.000 1.078 234 D HN -0.417 7.499 8.370 -0.480 0.166 0.486 235 c N 3.109 121.533 118.600 -0.292 0.000 2.478 235 c HA 0.474 nan 4.570 nan 0.000 0.379 235 c C -1.594 172.320 174.090 -0.293 0.000 1.470 235 c CA -0.728 55.515 56.329 -0.142 0.000 2.066 235 c CB 2.605 45.044 42.510 -0.118 0.000 2.001 235 c HN 0.791 8.816 8.230 -0.341 0.000 0.550 236 Y N -3.412 116.867 120.300 -0.035 0.000 2.264 236 Y HA 0.228 nan 4.550 nan 0.000 0.315 236 Y C -2.343 173.574 175.900 0.028 0.000 1.262 236 Y CA -0.036 58.074 58.100 0.015 0.000 1.176 236 Y CB 2.834 41.293 38.460 -0.002 0.000 1.283 236 Y HN 0.275 8.530 8.280 -0.041 0.000 0.405 237 L N 2.963 124.267 121.223 0.136 0.000 2.408 237 L HA 0.753 nan 4.340 nan 0.000 0.268 237 L C -2.589 174.108 176.870 -0.288 0.000 0.986 237 L CA -1.331 53.485 54.840 -0.040 0.000 0.820 237 L CB 4.859 46.843 42.059 -0.126 0.000 1.303 237 L HN 0.426 8.741 8.230 0.141 0.000 0.411 238 M N 5.787 125.074 119.600 -0.521 0.000 2.216 238 M HA 0.657 nan 4.480 nan 0.000 0.356 238 M C -1.702 174.294 176.300 -0.506 0.000 1.205 238 M CA -0.073 54.627 55.300 -0.999 0.000 1.122 238 M CB 1.360 33.492 32.600 -0.779 0.000 1.571 238 M HN 0.589 9.088 8.290 -0.289 -0.383 0.464 239 I N -2.210 118.084 120.570 -0.459 0.000 3.002 239 I HA 0.960 nan 4.170 nan 0.000 0.310 239 I C -2.343 173.701 176.117 -0.122 0.000 1.087 239 I CA -2.310 58.857 61.300 -0.221 0.000 1.017 239 I CB 3.737 41.639 38.000 -0.164 0.000 1.226 239 I HN 0.615 8.469 8.210 -0.593 0.000 0.443 240 T N 1.454 115.988 114.554 -0.033 0.000 2.821 240 T HA 0.490 nan 4.350 nan 0.000 0.306 240 T C -2.969 171.672 174.700 -0.098 0.000 1.313 240 T CA -0.684 61.415 62.100 -0.003 0.000 1.012 240 T CB 2.702 71.531 68.868 -0.065 0.000 1.298 240 T HN 0.347 8.566 8.240 -0.034 0.000 0.502 241 D N 1.989 122.261 120.400 -0.212 0.000 2.803 241 D HA 0.647 nan 4.640 nan 0.000 0.218 241 D C -2.167 173.984 176.300 -0.248 0.000 1.245 241 D CA -0.694 53.085 54.000 -0.369 0.000 0.821 241 D CB 3.439 43.661 40.800 -0.963 0.000 1.626 241 D HN -0.083 8.223 8.370 -0.106 0.000 0.487 242 G N 1.744 110.447 108.800 -0.163 0.000 2.361 242 G HA2 -0.149 nan 3.960 nan 0.000 0.331 242 G HA3 -0.149 nan 3.960 nan 0.000 0.331 242 G C -2.240 172.621 174.900 -0.065 0.000 1.324 242 G CA -0.206 44.836 45.100 -0.096 0.000 0.984 242 G HN 0.243 8.447 8.290 -0.145 0.000 0.586 243 S N -0.468 115.216 115.700 -0.025 0.000 2.533 243 S HA 0.053 nan 4.470 nan 0.000 0.282 243 S C 1.561 176.190 174.600 0.049 0.000 1.304 243 S CA -1.243 56.959 58.200 0.004 0.000 1.063 243 S CB 0.491 63.701 63.200 0.017 0.000 0.881 243 S HN -0.111 8.192 8.310 -0.012 0.000 0.493 244 A N 8.400 131.250 122.820 0.051 0.000 2.121 244 A HA -0.054 nan 4.320 nan 0.000 0.218 244 A C 0.434 178.050 177.584 0.053 0.000 1.154 244 A CA 2.255 54.357 52.037 0.108 0.000 0.679 244 A CB -0.261 18.765 19.000 0.043 0.000 0.795 244 A HN 0.682 8.842 8.150 0.017 0.000 0.458 245 S N -4.863 110.831 115.700 -0.010 0.000 2.629 245 S HA 0.307 nan 4.470 nan 0.000 0.236 245 S C -0.318 174.197 174.600 -0.141 0.000 1.010 245 S CA 0.242 58.380 58.200 -0.103 0.000 0.981 245 S CB 1.261 64.419 63.200 -0.071 0.000 0.919 245 S HN -0.588 7.679 8.310 0.006 0.046 0.514 246 G N 1.086 109.857 108.800 -0.049 0.000 3.198 246 G HA2 0.313 nan 3.960 nan 0.000 0.166 246 G HA3 0.313 nan 3.960 nan 0.000 0.166 246 G C -2.895 172.116 174.900 0.185 0.000 1.134 246 G CA 0.024 45.136 45.100 0.020 0.000 0.941 246 G HN -0.443 7.708 8.290 0.044 0.165 0.639 247 I N 0.421 121.117 120.570 0.210 0.000 2.395 247 I HA 0.121 nan 4.170 nan 0.000 0.289 247 I C -1.597 174.546 176.117 0.043 0.000 1.023 247 I CA 0.757 62.185 61.300 0.212 0.000 1.350 247 I CB 0.786 38.893 38.000 0.178 0.000 1.409 247 I HN 0.004 8.312 8.210 0.163 0.000 0.507 248 S N 7.119 122.771 115.700 -0.080 0.000 2.496 248 S HA 0.324 nan 4.470 nan 0.000 0.221 248 S C -2.072 172.468 174.600 -0.100 0.000 1.260 248 S CA -0.731 57.340 58.200 -0.216 0.000 1.181 248 S CB 0.940 63.784 63.200 -0.594 0.000 1.136 248 S HN 0.769 9.084 8.310 0.009 0.000 0.467 249 K N 5.392 125.823 120.400 0.050 0.000 2.276 249 K HA 0.534 nan 4.320 nan 0.000 0.285 249 K C -0.934 175.742 176.600 0.127 0.000 1.062 249 K CA -1.049 55.298 56.287 0.101 0.000 0.918 249 K CB 1.006 33.593 32.500 0.146 0.000 1.055 249 K HN -0.026 8.279 8.250 0.091 0.000 0.477 250 C N 1.932 121.268 119.300 0.061 0.000 2.480 250 C HA 0.615 nan 4.460 nan 0.000 0.358 250 C C -0.241 174.714 174.990 -0.058 0.000 1.309 250 C CA -2.680 56.345 59.018 0.012 0.000 2.465 250 C CB 1.032 28.736 27.740 -0.061 0.000 2.379 250 C HN 0.628 8.894 8.230 0.061 0.000 0.642 251 R N -2.348 118.032 120.500 -0.199 0.000 2.808 251 R HA 0.631 nan 4.340 nan 0.000 0.272 251 R C -1.946 174.142 176.300 -0.354 0.000 0.995 251 R CA -1.576 54.331 56.100 -0.322 0.000 0.917 251 R CB 4.694 34.628 30.300 -0.611 0.000 1.217 251 R HN 0.293 8.432 8.270 -0.218 0.000 0.471 252 F N -0.766 119.052 119.950 -0.221 0.000 2.495 252 F HA 0.742 nan 4.527 nan 0.000 0.327 252 F C -1.183 174.497 175.800 -0.199 0.000 1.103 252 F CA -1.107 56.808 58.000 -0.142 0.000 0.949 252 F CB 3.025 42.011 39.000 -0.023 0.000 1.142 252 F HN 0.610 8.828 8.300 0.044 0.108 0.457 253 L N 1.249 122.402 121.223 -0.117 0.000 2.309 253 L HA 0.645 nan 4.340 nan 0.000 0.282 253 L C -1.608 175.162 176.870 -0.165 0.000 1.036 253 L CA -1.157 53.563 54.840 -0.201 0.000 0.806 253 L CB 1.845 43.714 42.059 -0.318 0.000 1.220 253 L HN 0.879 9.024 8.230 -0.141 0.000 0.429 254 K N 3.672 123.929 120.400 -0.238 0.000 2.293 254 K HA 0.510 nan 4.320 nan 0.000 0.267 254 K C -1.890 174.502 176.600 -0.346 0.000 1.010 254 K CA -1.001 55.009 56.287 -0.461 0.000 0.875 254 K CB 1.802 34.051 32.500 -0.419 0.000 1.106 254 K HN 0.540 8.678 8.250 -0.186 0.000 0.450 255 I N 6.554 126.905 120.570 -0.364 0.000 2.509 255 I HA 0.639 nan 4.170 nan 0.000 0.293 255 I C -2.360 173.574 176.117 -0.305 0.000 1.020 255 I CA -1.363 59.776 61.300 -0.269 0.000 1.088 255 I CB 3.495 41.369 38.000 -0.209 0.000 1.267 255 I HN 0.401 8.330 8.210 -0.468 0.000 0.430 256 R N 4.340 124.663 120.500 -0.293 0.000 2.538 256 R HA 0.324 nan 4.340 nan 0.000 0.292 256 R C -0.517 175.548 176.300 -0.391 0.000 1.008 256 R CA -0.716 55.177 56.100 -0.345 0.000 0.896 256 R CB 2.863 32.981 30.300 -0.304 0.000 1.187 256 R HN 0.752 8.871 8.270 -0.252 0.000 0.440 257 E N 5.812 125.659 120.200 -0.588 0.000 2.328 257 E HA -0.435 nan 4.350 nan 0.000 0.233 257 E C -0.763 175.256 176.600 -0.967 0.000 1.219 257 E CA 0.958 56.700 56.400 -1.097 0.000 0.717 257 E CB -1.714 27.671 29.700 -0.525 0.000 1.210 257 E HN 1.135 9.179 8.360 -0.526 0.000 0.381 258 G N -6.421 101.964 108.800 -0.692 0.000 2.184 258 G HA2 -0.528 nan 3.960 nan 0.000 0.264 258 G HA3 -0.528 nan 3.960 nan 0.000 0.264 258 G C -0.859 173.954 174.900 -0.145 0.000 0.975 258 G CA 0.414 45.372 45.100 -0.238 0.000 0.642 258 G HN 0.532 8.422 8.290 -0.655 0.007 0.536 259 R N -0.569 119.824 120.500 -0.178 0.000 2.599 259 R HA 0.550 nan 4.340 nan 0.000 0.295 259 R C -1.014 175.215 176.300 -0.118 0.000 0.963 259 R CA -2.044 53.991 56.100 -0.109 0.000 0.883 259 R CB 2.772 33.017 30.300 -0.091 0.000 1.171 259 R HN -0.224 7.731 8.270 -0.249 0.167 0.450 260 I N 5.274 125.796 120.570 -0.080 0.000 2.505 260 I HA -0.141 nan 4.170 nan 0.000 0.287 260 I C 0.420 176.492 176.117 -0.075 0.000 1.104 260 I CA 2.048 63.296 61.300 -0.087 0.000 1.387 260 I CB -0.144 37.835 38.000 -0.036 0.000 1.404 260 I HN 0.223 8.737 8.210 -0.049 -0.333 0.528 261 I N 2.491 122.997 120.570 -0.108 0.000 4.057 261 I HA 0.294 nan 4.170 nan 0.000 0.334 261 I C -0.952 175.129 176.117 -0.061 0.000 1.308 261 I CA -0.556 60.694 61.300 -0.084 0.000 1.125 261 I CB 0.895 38.827 38.000 -0.113 0.000 1.034 261 I HN 0.669 8.789 8.210 -0.150 0.000 0.401 262 K N -0.638 119.724 120.400 -0.063 0.000 2.589 262 K HA 0.149 nan 4.320 nan 0.000 0.265 262 K C -2.761 173.833 176.600 -0.011 0.000 0.935 262 K CA -0.024 56.254 56.287 -0.016 0.000 0.850 262 K CB 3.649 36.140 32.500 -0.016 0.000 1.372 262 K HN -0.745 7.448 8.250 -0.095 0.000 0.420 263 E N 3.538 123.774 120.200 0.060 0.000 2.171 263 E HA 0.699 nan 4.350 nan 0.000 0.271 263 E C -0.851 175.828 176.600 0.132 0.000 0.916 263 E CA -1.152 55.269 56.400 0.034 0.000 0.774 263 E CB 2.396 32.167 29.700 0.118 0.000 1.128 263 E HN 0.203 8.627 8.360 0.106 0.000 0.403 264 I N 4.140 124.747 120.570 0.061 0.000 2.382 264 I HA 0.212 nan 4.170 nan 0.000 0.286 264 I C -1.404 174.774 176.117 0.101 0.000 1.002 264 I CA -0.934 60.466 61.300 0.168 0.000 1.135 264 I CB 2.498 40.600 38.000 0.170 0.000 1.288 264 I HN 0.902 8.990 8.210 -0.043 0.097 0.448 265 F N 8.023 128.004 119.950 0.052 0.000 2.371 265 F HA 0.303 nan 4.527 nan 0.000 0.363 265 F C -1.766 174.070 175.800 0.060 0.000 1.122 265 F CA -2.983 55.041 58.000 0.041 0.000 1.129 265 F CB -0.504 38.500 39.000 0.007 0.000 1.173 265 F HN 0.402 9.038 8.300 0.560 0.000 0.489 266 P HA 0.125 nan 4.420 nan 0.000 0.272 266 P C -1.131 176.245 177.300 0.126 0.000 1.230 266 P CA -0.593 62.596 63.100 0.147 0.000 0.788 266 P CB 0.438 32.233 31.700 0.158 0.000 0.949 267 T N 1.799 116.406 114.554 0.087 0.000 2.949 267 T HA 0.308 nan 4.350 nan 0.000 0.287 267 T C -0.330 174.378 174.700 0.013 0.000 1.034 267 T CA -0.932 61.200 62.100 0.053 0.000 1.018 267 T CB 2.556 71.451 68.868 0.044 0.000 1.135 267 T HN 0.241 8.532 8.240 0.085 0.000 0.532 268 G N 1.283 110.069 108.800 -0.023 0.000 2.578 268 G HA2 -0.318 nan 3.960 nan 0.000 0.232 268 G HA3 -0.318 nan 3.960 nan 0.000 0.232 268 G C -1.436 173.416 174.900 -0.080 0.000 1.176 268 G CA -0.152 44.894 45.100 -0.090 0.000 0.968 268 G HN -0.098 8.186 8.290 -0.010 0.000 0.583 269 R N 4.736 125.166 120.500 -0.118 0.000 2.419 269 R HA 0.151 nan 4.340 nan 0.000 0.305 269 R C -0.065 176.225 176.300 -0.017 0.000 1.242 269 R CA -0.191 55.859 56.100 -0.084 0.000 1.105 269 R CB -1.111 29.113 30.300 -0.127 0.000 1.116 269 R HN 0.272 8.333 8.270 -0.178 0.102 0.523 270 V N 0.926 120.848 119.914 0.013 0.000 3.427 270 V HA 0.385 nan 4.120 nan 0.000 0.305 270 V C 0.170 176.317 176.094 0.089 0.000 1.412 270 V CA -0.561 61.775 62.300 0.060 0.000 1.086 270 V CB -0.263 31.602 31.823 0.070 0.000 0.964 270 V HN -0.289 7.900 8.190 -0.003 0.000 0.439 271 E N -0.893 119.358 120.200 0.084 0.000 2.118 271 E HA -0.252 nan 4.350 nan 0.000 0.195 271 E C -0.131 176.657 176.600 0.312 0.000 0.992 271 E CA 2.175 58.662 56.400 0.145 0.000 0.804 271 E CB 0.091 29.797 29.700 0.008 0.000 0.741 271 E HN 0.166 8.550 8.360 0.041 0.000 0.458 272 H N -4.286 114.900 119.070 0.193 0.000 3.179 272 H HA 0.310 nan 4.556 nan 0.000 0.331 272 H C -2.287 173.105 175.328 0.107 0.000 1.013 272 H CA -0.832 55.314 56.048 0.164 0.000 1.430 272 H CB 2.583 32.459 29.762 0.190 0.000 1.895 272 H HN -0.768 7.680 8.280 0.280 0.000 0.468 273 T N 8.790 123.412 114.554 0.114 0.000 2.991 273 T HA 0.533 nan 4.350 nan 0.000 0.303 273 T C -2.277 172.447 174.700 0.039 0.000 1.015 273 T CA -0.314 61.864 62.100 0.130 0.000 1.007 273 T CB 1.975 70.906 68.868 0.104 0.000 1.034 273 T HN 0.506 8.704 8.240 -0.071 0.000 0.446 274 E N 1.981 122.230 120.200 0.083 0.000 2.445 274 E HA 0.416 nan 4.350 nan 0.000 0.279 274 E C -1.193 175.423 176.600 0.026 0.000 1.018 274 E CA -1.832 54.585 56.400 0.029 0.000 0.816 274 E CB 3.530 33.261 29.700 0.052 0.000 1.356 274 E HN 0.331 8.773 8.360 0.137 0.000 0.462 275 E N -3.456 116.743 120.200 -0.001 0.000 2.269 275 E HA -0.475 nan 4.350 nan 0.000 0.223 275 E C -0.668 175.925 176.600 -0.012 0.000 1.244 275 E CA 0.776 57.164 56.400 -0.018 0.000 0.713 275 E CB -1.861 27.806 29.700 -0.054 0.000 1.178 275 E HN 0.498 8.857 8.360 -0.002 0.000 0.370 276 c N -1.720 116.876 118.600 -0.006 0.000 2.653 276 c HA -0.050 nan 4.570 nan 0.000 0.421 276 c C 0.528 174.651 174.090 0.055 0.000 1.334 276 c CA 0.822 57.173 56.329 0.036 0.000 1.885 276 c CB -0.058 42.491 42.510 0.066 0.000 2.645 276 c HN -0.515 7.694 8.230 -0.035 0.000 0.601 277 T N 7.075 121.698 114.554 0.115 0.000 2.753 277 T HA 0.258 nan 4.350 nan 0.000 0.297 277 T C -1.384 173.456 174.700 0.233 0.000 0.981 277 T CA 0.373 62.580 62.100 0.178 0.000 0.956 277 T CB 0.525 69.543 68.868 0.250 0.000 0.936 277 T HN 0.447 8.757 8.240 0.115 0.000 0.463 278 c N 5.693 124.385 118.600 0.154 0.000 2.529 278 c HA 0.935 nan 4.570 nan 0.000 0.329 278 c C -0.754 173.358 174.090 0.037 0.000 1.194 278 c CA -2.278 54.120 56.329 0.115 0.000 1.779 278 c CB 3.166 45.709 42.510 0.056 0.000 2.322 278 c HN 0.665 8.961 8.230 0.110 0.000 0.500 279 G N -0.267 108.522 108.800 -0.019 0.000 2.623 279 G HA2 0.410 nan 3.960 nan 0.000 0.290 279 G HA3 0.410 nan 3.960 nan 0.000 0.290 279 G C -2.853 171.839 174.900 -0.347 0.000 1.437 279 G CA -0.382 44.666 45.100 -0.087 0.000 0.798 279 G HN 0.574 8.884 8.290 0.033 0.000 0.488 280 F N -0.476 119.350 119.950 -0.207 0.000 2.445 280 F HA 0.181 nan 4.527 nan 0.000 0.359 280 F C -0.203 175.187 175.800 -0.683 0.000 1.101 280 F CA -0.263 57.539 58.000 -0.329 0.000 1.177 280 F CB 0.421 39.322 39.000 -0.166 0.000 1.110 280 F HN 0.331 8.674 8.300 0.071 0.000 0.522 281 A N 5.733 128.260 122.820 -0.488 0.000 2.123 281 A HA 0.111 nan 4.320 nan 0.000 0.214 281 A C -0.888 176.647 177.584 -0.082 0.000 1.152 281 A CA 1.090 52.895 52.037 -0.387 0.000 0.728 281 A CB 0.552 19.472 19.000 -0.134 0.000 0.814 281 A HN 0.569 8.545 8.150 -0.291 0.000 0.464 282 S N -4.620 111.080 115.700 0.001 0.000 2.660 282 S HA 0.000 nan 4.470 nan 0.000 0.264 282 S C -0.983 173.637 174.600 0.034 0.000 1.131 282 S CA -0.710 57.498 58.200 0.014 0.000 0.846 282 S CB 0.296 63.500 63.200 0.007 0.000 1.151 282 S HN -0.685 7.629 8.310 0.061 0.033 0.486 283 N N 0.011 118.703 118.700 -0.013 0.000 2.512 283 N HA -0.145 nan 4.740 nan 0.000 0.183 283 N C -0.118 175.410 175.510 0.031 0.000 1.073 283 N CA 1.814 54.851 53.050 -0.021 0.000 0.911 283 N CB -0.267 38.209 38.487 -0.018 0.000 0.964 283 N HN 0.315 8.683 8.380 -0.019 0.000 0.447 284 K N -1.306 119.110 120.400 0.027 0.000 2.348 284 K HA 0.111 nan 4.320 nan 0.000 0.194 284 K C -1.275 175.319 176.600 -0.010 0.000 1.052 284 K CA 1.002 57.295 56.287 0.010 0.000 1.004 284 K CB 1.972 34.471 32.500 -0.002 0.000 0.873 284 K HN -0.460 7.742 8.250 0.021 0.062 0.523 285 T N 0.668 115.223 114.554 0.002 0.000 2.881 285 T HA 0.558 nan 4.350 nan 0.000 0.290 285 T C -1.702 172.936 174.700 -0.104 0.000 1.000 285 T CA -0.140 61.922 62.100 -0.064 0.000 0.978 285 T CB 2.462 71.297 68.868 -0.055 0.000 0.997 285 T HN -0.709 7.557 8.240 0.043 0.000 0.443 286 I N 5.604 126.023 120.570 -0.253 0.000 2.392 286 I HA 0.551 nan 4.170 nan 0.000 0.295 286 I C -1.774 174.195 176.117 -0.246 0.000 0.985 286 I CA -0.825 60.242 61.300 -0.388 0.000 1.221 286 I CB 1.782 39.433 38.000 -0.583 0.000 1.366 286 I HN 0.904 8.947 8.210 -0.278 0.000 0.467 287 E N 5.205 125.331 120.200 -0.123 0.000 2.256 287 E HA 0.720 nan 4.350 nan 0.000 0.267 287 E C -1.733 174.874 176.600 0.012 0.000 0.892 287 E CA -1.915 54.447 56.400 -0.064 0.000 0.775 287 E CB 4.021 33.837 29.700 0.193 0.000 1.207 287 E HN 0.554 8.838 8.360 -0.127 0.000 0.420 288 c N 0.180 118.600 118.600 -0.300 0.000 2.609 288 c HA 0.850 nan 4.570 nan 0.000 0.313 288 c C -1.490 172.310 174.090 -0.484 0.000 1.175 288 c CA -1.653 54.596 56.329 -0.133 0.000 1.434 288 c CB 3.409 45.938 42.510 0.032 0.000 2.005 288 c HN 0.410 8.277 8.230 -0.604 0.000 0.471 289 A N 2.840 125.468 122.820 -0.320 0.000 2.260 289 A HA 0.800 nan 4.320 nan 0.000 0.314 289 A C -1.568 176.013 177.584 -0.004 0.000 1.257 289 A CA -1.759 50.151 52.037 -0.212 0.000 0.871 289 A CB 1.036 19.901 19.000 -0.225 0.000 1.166 289 A HN 0.437 8.588 8.150 0.001 0.000 0.522 290 c N 3.286 121.905 118.600 0.033 0.000 2.803 290 c HA 0.909 nan 4.570 nan 0.000 0.389 290 c C -1.163 172.958 174.090 0.050 0.000 1.433 290 c CA -2.204 54.157 56.329 0.052 0.000 1.714 290 c CB 4.290 46.845 42.510 0.075 0.000 2.106 290 c HN 0.895 9.155 8.230 0.050 0.000 0.480 291 R N 0.323 120.854 120.500 0.051 0.000 2.562 291 R HA 0.233 nan 4.340 nan 0.000 0.298 291 R C -2.692 173.661 176.300 0.087 0.000 0.961 291 R CA -0.869 55.254 56.100 0.038 0.000 0.881 291 R CB 2.927 33.230 30.300 0.005 0.000 1.159 291 R HN 0.721 9.026 8.270 0.059 0.000 0.450 292 D N 5.839 126.247 120.400 0.013 0.000 2.453 292 D HA 0.152 nan 4.640 nan 0.000 0.238 292 D C -0.620 175.508 176.300 -0.286 0.000 1.088 292 D CA -1.383 52.563 54.000 -0.090 0.000 0.854 292 D CB 0.899 41.682 40.800 -0.027 0.000 1.076 292 D HN 0.297 8.661 8.370 -0.010 0.000 0.533 293 N N 6.003 124.395 118.700 -0.513 0.000 2.515 293 N HA -0.072 nan 4.740 nan 0.000 0.185 293 N C 0.396 175.623 175.510 -0.472 0.000 1.109 293 N CA 1.773 54.599 53.050 -0.373 0.000 0.903 293 N CB 1.126 39.518 38.487 -0.157 0.000 0.969 293 N HN -0.153 7.880 8.380 -0.578 0.000 0.450 294 S N -0.045 115.196 115.700 -0.764 0.000 2.748 294 S HA 0.149 nan 4.470 nan 0.000 0.241 294 S C 1.033 175.282 174.600 -0.585 0.000 1.064 294 S CA 1.939 59.691 58.200 -0.747 0.000 0.892 294 S CB 1.088 63.620 63.200 -1.114 0.000 0.810 294 S HN -0.074 7.916 8.310 -0.975 -0.265 0.555 295 Y N -3.594 116.594 120.300 -0.186 0.000 2.524 295 Y HA 0.184 nan 4.550 nan 0.000 0.270 295 Y C -0.150 175.681 175.900 -0.115 0.000 1.094 295 Y CA 0.331 58.362 58.100 -0.115 0.000 1.276 295 Y CB 1.616 40.031 38.460 -0.076 0.000 1.130 295 Y HN -0.336 8.036 8.280 -0.460 -0.368 0.536 296 T N -4.000 110.554 114.554 -0.001 0.000 2.821 296 T HA 0.225 nan 4.350 nan 0.000 0.306 296 T C -1.979 172.669 174.700 -0.088 0.000 1.313 296 T CA -1.631 60.438 62.100 -0.052 0.000 1.012 296 T CB 2.556 71.406 68.868 -0.029 0.000 1.298 296 T HN -0.769 7.445 8.240 -0.044 0.000 0.502 297 A N 0.884 123.626 122.820 -0.130 0.000 2.267 297 A HA 0.342 nan 4.320 nan 0.000 0.213 297 A C -0.531 177.011 177.584 -0.070 0.000 1.192 297 A CA -0.035 51.935 52.037 -0.112 0.000 0.851 297 A CB 1.234 20.142 19.000 -0.153 0.000 0.881 297 A HN 0.518 8.560 8.150 -0.180 0.000 0.494 298 K N -0.057 120.290 120.400 -0.089 0.000 2.270 298 K HA -0.097 nan 4.320 nan 0.000 0.276 298 K C -0.945 175.662 176.600 0.012 0.000 1.023 298 K CA 0.096 56.382 56.287 -0.002 0.000 0.955 298 K CB 0.544 33.035 32.500 -0.015 0.000 0.975 298 K HN -0.606 7.520 8.250 -0.131 0.045 0.471 299 R N 1.682 122.200 120.500 0.030 0.000 2.308 299 R HA 0.279 nan 4.340 nan 0.000 0.305 299 R C -2.105 174.260 176.300 0.108 0.000 1.053 299 R CA -2.815 53.318 56.100 0.055 0.000 0.957 299 R CB 0.014 30.346 30.300 0.054 0.000 1.022 299 R HN 0.234 8.516 8.270 0.020 0.000 0.461 300 P HA -0.085 nan 4.420 nan 0.000 0.261 300 P C -1.895 175.543 177.300 0.231 0.000 1.183 300 P CA 0.849 64.041 63.100 0.152 0.000 0.761 300 P CB 0.040 31.818 31.700 0.131 0.000 0.785 301 F N 5.908 125.958 119.950 0.167 0.000 2.460 301 F HA 0.475 nan 4.527 nan 0.000 0.341 301 F C -1.538 174.497 175.800 0.393 0.000 1.130 301 F CA -1.460 56.676 58.000 0.227 0.000 0.962 301 F CB 3.140 42.309 39.000 0.281 0.000 1.171 301 F HN 0.392 8.942 8.300 0.417 0.000 0.436 302 V N 9.057 129.001 119.914 0.050 0.000 2.509 302 V HA 0.378 nan 4.120 nan 0.000 0.284 302 V C -1.235 174.868 176.094 0.016 0.000 1.047 302 V CA -0.910 61.461 62.300 0.119 0.000 0.952 302 V CB 0.605 32.450 31.823 0.036 0.000 0.988 302 V HN 0.943 8.971 8.190 -0.270 0.000 0.469 303 K N 6.076 126.567 120.400 0.152 0.000 2.413 303 K HA 0.741 nan 4.320 nan 0.000 0.257 303 K C -2.197 174.356 176.600 -0.078 0.000 0.946 303 K CA -1.225 55.056 56.287 -0.010 0.000 0.823 303 K CB 2.601 35.062 32.500 -0.065 0.000 1.109 303 K HN 0.506 8.959 8.250 0.338 0.000 0.427 304 L N 4.576 125.672 121.223 -0.212 0.000 2.349 304 L HA 0.537 nan 4.340 nan 0.000 0.278 304 L C -2.663 174.059 176.870 -0.246 0.000 0.996 304 L CA -1.452 53.204 54.840 -0.307 0.000 0.825 304 L CB 3.232 44.946 42.059 -0.575 0.000 1.243 304 L HN 0.780 8.880 8.230 -0.218 0.000 0.412 305 N N 6.557 125.160 118.700 -0.161 0.000 2.408 305 N HA 0.249 nan 4.740 nan 0.000 0.257 305 N C 0.118 175.548 175.510 -0.133 0.000 1.064 305 N CA -0.061 52.921 53.050 -0.113 0.000 0.952 305 N CB 1.467 39.925 38.487 -0.048 0.000 1.093 305 N HN 0.463 8.766 8.380 -0.128 0.000 0.490 306 V N 6.080 125.900 119.914 -0.157 0.000 2.871 306 V HA -0.265 nan 4.120 nan 0.000 0.256 306 V C 0.444 176.538 176.094 0.000 0.000 1.082 306 V CA 2.708 64.913 62.300 -0.157 0.000 1.105 306 V CB -0.192 31.530 31.823 -0.168 0.000 0.713 306 V HN 0.662 8.774 8.190 -0.130 0.000 0.473 307 E N -3.238 116.962 120.200 0.000 0.000 2.170 307 E HA -0.085 nan 4.350 nan 0.000 0.191 307 E C 1.280 177.896 176.600 0.027 0.000 0.981 307 E CA 1.810 58.224 56.400 0.023 0.000 0.830 307 E CB 0.444 30.153 29.700 0.015 0.000 0.775 307 E HN 0.114 8.674 8.360 -0.020 -0.212 0.470 308 T N -7.377 107.188 114.554 0.018 0.000 3.040 308 T HA 0.164 nan 4.350 nan 0.000 0.250 308 T C -0.238 174.485 174.700 0.037 0.000 1.058 308 T CA -0.756 61.358 62.100 0.024 0.000 0.988 308 T CB 0.602 69.481 68.868 0.017 0.000 0.993 308 T HN -0.406 8.133 8.240 0.003 -0.298 0.519 309 D N 0.544 120.972 120.400 0.046 0.000 2.697 309 D HA -0.359 nan 4.640 nan 0.000 0.235 309 D C -1.265 175.066 176.300 0.052 0.000 1.167 309 D CA 1.359 55.406 54.000 0.078 0.000 0.656 309 D CB -1.708 39.163 40.800 0.119 0.000 1.025 309 D HN -0.278 8.061 8.370 0.038 0.054 0.419 310 T N -8.400 106.160 114.554 0.010 0.000 2.907 310 T HA 0.466 nan 4.350 nan 0.000 0.292 310 T C -2.466 172.217 174.700 -0.027 0.000 1.043 310 T CA -2.745 59.366 62.100 0.018 0.000 1.003 310 T CB 3.921 72.807 68.868 0.029 0.000 1.084 310 T HN -0.624 7.604 8.240 -0.021 0.000 0.483 311 A N 0.411 123.226 122.820 -0.008 0.000 2.515 311 A HA 0.856 nan 4.320 nan 0.000 0.298 311 A C -2.734 174.887 177.584 0.060 0.000 1.059 311 A CA -1.000 51.015 52.037 -0.036 0.000 0.698 311 A CB 3.062 21.961 19.000 -0.167 0.000 1.289 311 A HN 0.348 8.520 8.150 0.036 0.000 0.404 312 E N 0.873 121.154 120.200 0.136 0.000 2.293 312 E HA 0.922 nan 4.350 nan 0.000 0.270 312 E C -2.107 174.643 176.600 0.250 0.000 0.879 312 E CA -2.003 54.510 56.400 0.187 0.000 0.756 312 E CB 4.365 34.249 29.700 0.306 0.000 1.208 312 E HN 0.286 8.733 8.360 0.144 0.000 0.428 313 I N 3.427 124.035 120.570 0.063 0.000 2.509 313 I HA 0.692 nan 4.170 nan 0.000 0.293 313 I C -1.784 174.152 176.117 -0.302 0.000 1.020 313 I CA -1.099 60.235 61.300 0.056 0.000 1.088 313 I CB 2.692 40.742 38.000 0.082 0.000 1.267 313 I HN 0.565 8.759 8.210 -0.027 0.000 0.430 314 R N 3.308 123.522 120.500 -0.477 0.000 2.739 314 R HA 0.424 nan 4.340 nan 0.000 0.271 314 R C -1.920 174.229 176.300 -0.251 0.000 1.010 314 R CA -2.739 52.949 56.100 -0.687 0.000 0.897 314 R CB 4.286 33.708 30.300 -1.464 0.000 1.236 314 R HN 0.218 8.444 8.270 -0.073 0.000 0.466 315 L N 1.363 122.503 121.223 -0.139 0.000 2.456 315 L HA 0.091 nan 4.340 nan 0.000 0.272 315 L C 0.055 176.965 176.870 0.066 0.000 1.189 315 L CA 0.171 55.013 54.840 0.003 0.000 0.846 315 L CB 0.348 42.394 42.059 -0.021 0.000 1.111 315 L HN 0.379 8.493 8.230 -0.193 0.000 0.475 316 M N 0.838 120.499 119.600 0.101 0.000 2.260 316 M HA -0.328 nan 4.480 nan 0.000 0.348 316 M C -0.137 176.162 176.300 -0.001 0.000 1.342 316 M CA 1.561 56.872 55.300 0.019 0.000 1.040 316 M CB 0.180 32.735 32.600 -0.075 0.000 1.810 316 M HN 0.138 8.498 8.290 0.116 0.000 0.453 317 c N 5.359 123.949 118.600 -0.016 0.000 2.594 317 c HA 0.121 nan 4.570 nan 0.000 0.265 317 c C 0.429 174.499 174.090 -0.032 0.000 1.351 317 c CA -0.393 55.932 56.329 -0.007 0.000 1.744 317 c CB -0.826 41.684 42.510 -0.001 0.000 1.890 317 c HN 0.406 8.623 8.230 -0.022 0.000 0.551 318 T N 0.740 115.230 114.554 -0.107 0.000 2.946 318 T HA -0.100 nan 4.350 nan 0.000 0.311 318 T C 1.029 175.598 174.700 -0.218 0.000 1.063 318 T CA 1.425 63.421 62.100 -0.173 0.000 1.139 318 T CB 0.758 69.464 68.868 -0.269 0.000 0.994 318 T HN -0.288 7.867 8.240 -0.142 0.000 0.547 319 E N 4.332 124.359 120.200 -0.289 0.000 2.268 319 E HA -0.141 nan 4.350 nan 0.000 0.195 319 E C 1.145 177.156 176.600 -0.982 0.000 0.995 319 E CA 1.822 57.897 56.400 -0.542 0.000 0.836 319 E CB 0.141 29.650 29.700 -0.318 0.000 0.763 319 E HN -0.157 8.072 8.360 -0.218 0.000 0.491 320 T N 3.331 117.503 114.554 -0.637 0.000 3.842 320 T HA -0.005 nan 4.350 nan 0.000 0.267 320 T C -0.344 174.018 174.700 -0.563 0.000 1.173 320 T CA -0.273 61.451 62.100 -0.627 0.000 1.142 320 T CB -1.944 66.574 68.868 -0.582 0.000 1.191 320 T HN -0.686 7.255 8.240 -0.462 0.022 0.895 321 Y N 3.601 123.775 120.300 -0.210 0.000 2.717 321 Y HA -0.215 nan 4.550 nan 0.000 0.330 321 Y C 0.645 176.433 175.900 -0.188 0.000 1.217 321 Y CA -1.335 56.659 58.100 -0.176 0.000 1.506 321 Y CB -0.517 37.873 38.460 -0.117 0.000 1.268 321 Y HN -0.363 7.142 8.280 -1.237 0.033 0.561 322 L N 2.346 123.547 121.223 -0.037 0.000 2.585 322 L HA 0.036 nan 4.340 nan 0.000 0.226 322 L C -0.048 176.814 176.870 -0.013 0.000 1.113 322 L CA 0.064 54.858 54.840 -0.076 0.000 0.876 322 L CB 0.258 42.244 42.059 -0.121 0.000 1.072 322 L HN 0.341 8.565 8.230 -0.011 0.000 0.468 323 D N -0.132 120.271 120.400 0.004 0.000 2.383 323 D HA -0.005 nan 4.640 nan 0.000 0.248 323 D C -1.738 174.558 176.300 -0.007 0.000 1.170 323 D CA 0.404 54.401 54.000 -0.005 0.000 0.977 323 D CB 2.425 43.214 40.800 -0.020 0.000 1.120 323 D HN -0.708 7.676 8.370 0.023 0.000 0.481 324 T N 1.312 115.854 114.554 -0.021 0.000 2.881 324 T HA 0.482 nan 4.350 nan 0.000 0.291 324 T C -2.342 172.328 174.700 -0.050 0.000 0.990 324 T CA -2.920 59.161 62.100 -0.031 0.000 0.976 324 T CB 2.061 70.905 68.868 -0.039 0.000 0.970 324 T HN 0.172 8.398 8.240 -0.025 0.000 0.438 325 P HA 0.480 nan 4.420 nan 0.000 0.274 325 P C -1.718 175.559 177.300 -0.038 0.000 1.246 325 P CA -0.816 62.257 63.100 -0.045 0.000 0.795 325 P CB 0.965 32.635 31.700 -0.051 0.000 1.006 326 R N -3.628 116.860 120.500 -0.020 0.000 2.710 326 R HA 0.496 nan 4.340 nan 0.000 0.270 326 R C -2.700 173.604 176.300 0.005 0.000 1.021 326 R CA -3.075 53.019 56.100 -0.009 0.000 0.889 326 R CB 0.764 31.099 30.300 0.058 0.000 1.243 326 R HN 0.010 8.272 8.270 -0.014 0.000 0.464 327 P HA -0.020 nan 4.420 nan 0.000 0.289 327 P C -1.279 176.094 177.300 0.122 0.000 1.299 327 P CA -0.594 62.521 63.100 0.025 0.000 0.766 327 P CB 0.460 32.138 31.700 -0.037 0.000 1.226 328 D N -2.035 118.426 120.400 0.102 0.000 2.368 328 D HA -0.103 nan 4.640 nan 0.000 0.240 328 D C 0.417 176.812 176.300 0.158 0.000 1.169 328 D CA 0.217 54.273 54.000 0.095 0.000 0.906 328 D CB 0.450 41.279 40.800 0.049 0.000 1.187 328 D HN -0.036 8.373 8.370 0.066 0.000 0.435 329 D N -0.544 119.861 120.400 0.008 0.000 2.399 329 D HA -0.253 nan 4.640 nan 0.000 0.241 329 D C 0.978 177.209 176.300 -0.116 0.000 1.133 329 D CA 1.616 55.489 54.000 -0.211 0.000 0.890 329 D CB 0.176 40.817 40.800 -0.265 0.000 1.201 329 D HN -0.174 8.190 8.370 -0.010 0.000 0.432 330 G N 5.330 113.993 108.800 -0.229 0.000 2.196 330 G HA2 -0.419 nan 3.960 nan 0.000 0.268 330 G HA3 -0.419 nan 3.960 nan 0.000 0.268 330 G C 0.836 175.823 174.900 0.145 0.000 0.975 330 G CA 1.041 46.135 45.100 -0.009 0.000 0.648 330 G HN 0.075 7.814 8.290 -0.752 0.099 0.538 331 S N 0.685 116.523 115.700 0.230 0.000 2.481 331 S HA -0.179 nan 4.470 nan 0.000 0.231 331 S C 0.936 175.585 174.600 0.081 0.000 0.996 331 S CA 2.057 60.334 58.200 0.128 0.000 0.942 331 S CB 0.675 63.933 63.200 0.097 0.000 0.768 331 S HN -0.347 8.094 8.310 0.339 0.072 0.520 332 I N 4.932 125.566 120.570 0.107 0.000 2.294 332 I HA -0.046 nan 4.170 nan 0.000 0.295 332 I C -0.785 175.349 176.117 0.029 0.000 1.098 332 I CA -0.189 61.100 61.300 -0.019 0.000 1.277 332 I CB -0.776 37.110 38.000 -0.190 0.000 1.434 332 I HN -0.445 7.911 8.210 0.321 0.046 0.498 333 T N 6.770 121.328 114.554 0.006 0.000 2.904 333 T HA 0.153 nan 4.350 nan 0.000 0.290 333 T C -0.120 174.575 174.700 -0.008 0.000 1.018 333 T CA -0.353 61.750 62.100 0.005 0.000 1.075 333 T CB 0.602 69.471 68.868 0.000 0.000 0.986 333 T HN -0.095 8.144 8.240 -0.003 0.000 0.523 334 G N 1.607 110.404 108.800 -0.005 0.000 2.384 334 G HA2 -0.076 nan 3.960 nan 0.000 0.668 334 G HA3 -0.076 nan 3.960 nan 0.000 0.668 334 G C -2.807 172.087 174.900 -0.010 0.000 1.280 334 G CA -1.169 43.923 45.100 -0.012 0.000 0.992 334 G HN -0.188 8.103 8.290 0.001 0.000 0.512 335 P HA 0.198 nan 4.420 nan 0.000 0.270 335 P C 0.719 178.009 177.300 -0.016 0.000 1.227 335 P CA -0.931 62.160 63.100 -0.016 0.000 0.788 335 P CB 0.697 32.384 31.700 -0.022 0.000 0.926 336 c N 0.163 118.755 118.600 -0.013 0.000 2.398 336 c HA -0.274 nan 4.570 nan 0.000 0.279 336 c C 2.496 176.567 174.090 -0.031 0.000 1.250 336 c CA 2.599 58.922 56.329 -0.012 0.000 1.786 336 c CB -1.171 41.336 42.510 -0.005 0.000 2.018 336 c HN 0.426 8.650 8.230 -0.010 0.000 0.494 337 E N -1.950 118.221 120.200 -0.048 0.000 2.482 337 E HA -0.179 nan 4.350 nan 0.000 0.196 337 E C -0.228 176.334 176.600 -0.064 0.000 1.047 337 E CA 0.735 57.095 56.400 -0.067 0.000 0.869 337 E CB -0.607 29.046 29.700 -0.078 0.000 0.836 337 E HN 0.200 8.519 8.360 -0.045 0.014 0.520 338 S N 2.043 117.710 115.700 -0.055 0.000 2.533 338 S HA -0.009 nan 4.470 nan 0.000 0.282 338 S C 0.983 175.537 174.600 -0.078 0.000 1.304 338 S CA 1.218 59.382 58.200 -0.062 0.000 1.063 338 S CB 0.351 63.520 63.200 -0.052 0.000 0.881 338 S HN -0.053 8.083 8.310 -0.044 0.148 0.493 339 N N 5.196 123.849 118.700 -0.078 0.000 2.188 339 N HA -0.211 nan 4.740 nan 0.000 0.184 339 N C 0.048 175.485 175.510 -0.121 0.000 1.018 339 N CA 2.209 55.211 53.050 -0.080 0.000 0.858 339 N CB 0.338 38.799 38.487 -0.042 0.000 0.989 339 N HN 0.510 8.847 8.380 -0.072 0.000 0.426 340 G N -2.639 106.092 108.800 -0.114 0.000 2.645 340 G HA2 -0.480 nan 3.960 nan 0.000 0.239 340 G HA3 -0.480 nan 3.960 nan 0.000 0.239 340 G C -1.725 173.103 174.900 -0.121 0.000 1.331 340 G CA -0.297 44.718 45.100 -0.143 0.000 0.890 340 G HN -0.241 7.997 8.290 -0.087 0.000 0.572 341 D N 0.089 120.405 120.400 -0.140 0.000 2.326 341 D HA 0.102 nan 4.640 nan 0.000 0.251 341 D C -0.302 175.932 176.300 -0.110 0.000 1.023 341 D CA -1.015 52.925 54.000 -0.101 0.000 0.966 341 D CB 1.279 42.032 40.800 -0.078 0.000 1.156 341 D HN 0.066 8.327 8.370 -0.181 0.000 0.494 342 K N -0.598 119.755 120.400 -0.079 0.000 3.096 342 K HA -0.251 nan 4.320 nan 0.000 0.266 342 K C -0.217 176.331 176.600 -0.088 0.000 1.043 342 K CA 0.679 56.921 56.287 -0.074 0.000 0.758 342 K CB -1.471 30.990 32.500 -0.066 0.000 1.260 342 K HN 0.379 8.591 8.250 -0.064 0.000 0.481 343 G N -4.284 104.464 108.800 -0.087 0.000 2.464 343 G HA2 -0.206 nan 3.960 nan 0.000 0.217 343 G HA3 -0.206 nan 3.960 nan 0.000 0.217 343 G C -1.078 173.751 174.900 -0.120 0.000 1.138 343 G CA -0.216 44.827 45.100 -0.095 0.000 0.793 343 G HN 0.273 8.505 8.290 -0.075 0.013 0.539 344 R N -0.489 119.943 120.500 -0.114 0.000 2.537 344 R HA -0.220 nan 4.340 nan 0.000 0.280 344 R C 0.275 176.507 176.300 -0.112 0.000 1.058 344 R CA 0.096 56.116 56.100 -0.134 0.000 1.057 344 R CB -0.187 30.049 30.300 -0.107 0.000 0.973 344 R HN -0.730 7.485 8.270 -0.092 0.000 0.438 345 G N 4.858 113.586 108.800 -0.121 0.000 2.712 345 G HA2 -0.296 nan 3.960 nan 0.000 0.683 345 G HA3 -0.296 nan 3.960 nan 0.000 0.683 345 G C -2.415 172.432 174.900 -0.088 0.000 1.320 345 G CA -0.660 44.387 45.100 -0.088 0.000 0.847 345 G HN 0.584 8.709 8.290 -0.150 0.074 0.553 346 G N -3.594 105.172 108.800 -0.056 0.000 2.342 346 G HA2 0.470 nan 3.960 nan 0.000 0.297 346 G HA3 0.470 nan 3.960 nan 0.000 0.297 346 G C -3.015 171.875 174.900 -0.016 0.000 1.313 346 G CA -0.184 44.889 45.100 -0.046 0.000 0.830 346 G HN -0.332 7.932 8.290 -0.043 0.000 0.506 347 I N -2.274 118.279 120.570 -0.030 0.000 2.787 347 I HA 0.280 nan 4.170 nan 0.000 0.294 347 I C -2.441 173.583 176.117 -0.156 0.000 1.365 347 I CA -1.307 59.969 61.300 -0.039 0.000 1.029 347 I CB 4.229 42.241 38.000 0.020 0.000 1.313 347 I HN 0.450 8.901 8.210 -0.039 -0.265 0.431 348 K N 7.243 127.361 120.400 -0.470 0.000 2.412 348 K HA -0.026 nan 4.320 nan 0.000 0.281 348 K C -1.278 175.255 176.600 -0.112 0.000 1.027 348 K CA 0.775 56.828 56.287 -0.389 0.000 0.989 348 K CB 1.100 33.154 32.500 -0.744 0.000 0.935 348 K HN 0.408 8.104 8.250 -0.923 0.000 0.475 349 G N 2.867 111.676 108.800 0.014 0.000 2.453 349 G HA2 0.414 nan 3.960 nan 0.000 0.323 349 G HA3 0.414 nan 3.960 nan 0.000 0.323 349 G C -1.562 173.447 174.900 0.181 0.000 1.198 349 G CA -1.807 43.355 45.100 0.103 0.000 0.959 349 G HN -0.018 8.281 8.290 0.015 0.000 0.482 350 G N 0.571 109.485 108.800 0.190 0.000 2.483 350 G HA2 0.055 nan 3.960 nan 0.000 0.248 350 G HA3 0.055 nan 3.960 nan 0.000 0.248 350 G C -2.346 172.734 174.900 0.300 0.000 1.248 350 G CA -0.822 44.400 45.100 0.203 0.000 0.838 350 G HN -0.225 8.161 8.290 0.160 0.000 0.566 351 F N 2.249 122.225 119.950 0.042 0.000 2.651 351 F HA 0.334 nan 4.527 nan 0.000 0.327 351 F C -2.655 173.091 175.800 -0.090 0.000 1.133 351 F CA -0.761 57.182 58.000 -0.094 0.000 1.076 351 F CB 2.353 41.334 39.000 -0.032 0.000 1.315 351 F HN -0.162 8.272 8.300 0.223 0.000 0.499 352 V N 5.173 124.728 119.914 -0.599 0.000 3.120 352 V HA 0.451 nan 4.120 nan 0.000 0.303 352 V C -2.623 173.136 176.094 -0.559 0.000 1.238 352 V CA -1.999 60.005 62.300 -0.493 0.000 1.008 352 V CB 4.846 36.607 31.823 -0.103 0.000 1.064 352 V HN 0.569 8.459 8.190 -0.501 0.000 0.434 353 H N 4.850 123.763 119.070 -0.261 0.000 2.463 353 H HA 0.624 nan 4.556 nan 0.000 0.332 353 H C -1.451 173.918 175.328 0.068 0.000 1.127 353 H CA -1.338 54.654 56.048 -0.093 0.000 1.238 353 H CB 1.984 31.693 29.762 -0.088 0.000 1.478 353 H HN 0.466 8.709 8.280 -0.062 0.000 0.499 354 Q N 3.596 123.573 119.800 0.295 0.000 2.413 354 Q HA 0.214 nan 4.340 nan 0.000 0.258 354 Q C -1.030 175.119 176.000 0.249 0.000 1.037 354 Q CA -1.623 54.353 55.803 0.289 0.000 0.764 354 Q CB 1.285 30.317 28.738 0.490 0.000 1.217 354 Q HN 0.685 9.129 8.270 0.290 0.000 0.490 355 R N 7.433 128.039 120.500 0.176 0.000 2.196 355 R HA 0.436 nan 4.340 nan 0.000 0.340 355 R C -0.840 175.530 176.300 0.116 0.000 1.043 355 R CA -0.282 55.900 56.100 0.136 0.000 0.883 355 R CB 0.811 31.165 30.300 0.089 0.000 1.078 355 R HN 0.821 9.179 8.270 0.147 0.000 0.462 356 M N 4.298 123.972 119.600 0.124 0.000 2.706 356 M HA 0.143 nan 4.480 nan 0.000 0.304 356 M C 0.247 176.584 176.300 0.062 0.000 1.217 356 M CA -0.598 54.757 55.300 0.092 0.000 0.922 356 M CB 1.864 34.524 32.600 0.100 0.000 1.637 356 M HN 0.586 8.963 8.290 0.144 0.000 0.492 357 A N 1.692 124.536 122.820 0.041 0.000 1.917 357 A HA -0.199 nan 4.320 nan 0.000 0.219 357 A C 0.951 178.551 177.584 0.026 0.000 1.182 357 A CA 2.756 54.809 52.037 0.026 0.000 0.633 357 A CB -0.715 18.294 19.000 0.015 0.000 0.819 357 A HN 0.425 8.598 8.150 0.038 0.000 0.448 358 S N -4.399 111.318 115.700 0.029 0.000 2.512 358 S HA 0.042 nan 4.470 nan 0.000 0.216 358 S C -0.303 174.323 174.600 0.043 0.000 1.006 358 S CA -0.224 57.992 58.200 0.027 0.000 0.915 358 S CB 1.019 64.227 63.200 0.014 0.000 0.824 358 S HN -0.088 8.239 8.310 0.029 0.000 0.497 359 K N -1.664 118.776 120.400 0.067 0.000 2.533 359 K HA 0.274 nan 4.320 nan 0.000 0.272 359 K C -2.768 173.933 176.600 0.168 0.000 0.985 359 K CA -1.198 55.154 56.287 0.107 0.000 0.876 359 K CB 2.304 34.862 32.500 0.096 0.000 1.452 359 K HN -0.884 7.300 8.250 0.071 0.108 0.439 360 I N 0.141 120.838 120.570 0.211 0.000 2.466 360 I HA 0.468 nan 4.170 nan 0.000 0.289 360 I C -1.959 174.294 176.117 0.226 0.000 1.026 360 I CA -2.046 59.387 61.300 0.220 0.000 1.078 360 I CB 3.305 41.409 38.000 0.174 0.000 1.249 360 I HN 0.271 8.904 8.210 0.201 -0.303 0.429 361 G N 7.933 116.843 108.800 0.184 0.000 2.332 361 G HA2 0.622 nan 3.960 nan 0.000 0.310 361 G HA3 0.622 nan 3.960 nan 0.000 0.310 361 G C -2.054 172.742 174.900 -0.174 0.000 1.123 361 G CA -1.330 43.608 45.100 -0.270 0.000 0.873 361 G HN 0.864 9.204 8.290 0.265 0.109 0.460 362 R N 5.042 125.342 120.500 -0.334 0.000 2.310 362 R HA 0.558 nan 4.340 nan 0.000 0.324 362 R C -1.210 174.792 176.300 -0.498 0.000 0.955 362 R CA -1.227 54.713 56.100 -0.267 0.000 0.830 362 R CB 2.185 32.501 30.300 0.027 0.000 1.154 362 R HN 0.736 8.745 8.270 -0.435 0.000 0.458 363 W N 5.231 126.229 121.300 -0.503 0.000 2.520 363 W HA 0.431 nan 4.660 nan 0.000 0.323 363 W C -1.099 175.149 176.519 -0.452 0.000 1.062 363 W CA -0.680 56.420 57.345 -0.407 0.000 1.215 363 W CB 1.839 31.037 29.460 -0.437 0.000 1.340 363 W HN 0.733 8.801 8.180 -0.185 0.000 0.516 364 Y N 0.937 121.344 120.300 0.178 0.000 2.581 364 Y HA 0.418 nan 4.550 nan 0.000 0.345 364 Y C -1.496 174.479 175.900 0.125 0.000 1.036 364 Y CA -1.815 56.390 58.100 0.176 0.000 1.042 364 Y CB 4.156 42.687 38.460 0.119 0.000 1.289 364 Y HN 0.886 9.336 8.280 0.284 0.000 0.471 365 S N -0.125 115.739 115.700 0.274 0.000 2.566 365 S HA 0.908 nan 4.470 nan 0.000 0.298 365 S C -1.377 173.327 174.600 0.174 0.000 1.083 365 S CA -1.443 56.867 58.200 0.184 0.000 0.978 365 S CB 2.684 65.931 63.200 0.077 0.000 1.073 365 S HN 0.062 8.543 8.310 0.285 0.000 0.491 366 R N -2.099 118.501 120.500 0.168 0.000 2.739 366 R HA 0.606 nan 4.340 nan 0.000 0.271 366 R C -0.497 175.868 176.300 0.109 0.000 1.010 366 R CA -1.699 54.468 56.100 0.111 0.000 0.897 366 R CB 3.284 33.614 30.300 0.051 0.000 1.236 366 R HN 0.328 8.720 8.270 0.205 0.000 0.466 367 T N -4.234 110.366 114.554 0.077 0.000 2.855 367 T HA 0.112 nan 4.350 nan 0.000 0.314 367 T C 0.989 175.738 174.700 0.081 0.000 1.077 367 T CA 0.181 62.322 62.100 0.068 0.000 1.095 367 T CB 0.708 69.595 68.868 0.033 0.000 0.987 367 T HN 0.447 8.722 8.240 0.059 0.000 0.546 368 M N 2.617 122.262 119.600 0.075 0.000 2.156 368 M HA -0.232 nan 4.480 nan 0.000 0.264 368 M C 0.182 176.518 176.300 0.059 0.000 1.067 368 M CA 2.890 58.239 55.300 0.082 0.000 1.131 368 M CB 0.763 33.406 32.600 0.070 0.000 1.368 368 M HN 0.007 8.226 8.290 0.065 0.110 0.416 369 S N -2.202 113.521 115.700 0.039 0.000 2.565 369 S HA -0.080 nan 4.470 nan 0.000 0.276 369 S C 0.956 175.565 174.600 0.016 0.000 1.326 369 S CA -0.383 57.830 58.200 0.022 0.000 1.045 369 S CB 0.862 64.067 63.200 0.009 0.000 0.918 369 S HN -0.353 7.979 8.310 0.037 0.000 0.505 370 K N 5.126 125.534 120.400 0.013 0.000 2.296 370 K HA -0.138 nan 4.320 nan 0.000 0.200 370 K C 1.010 177.605 176.600 -0.009 0.000 1.048 370 K CA 2.925 59.218 56.287 0.010 0.000 0.966 370 K CB 0.108 32.618 32.500 0.016 0.000 0.754 370 K HN 0.673 8.932 8.250 0.015 0.000 0.466 371 T N -8.908 105.636 114.554 -0.018 0.000 2.955 371 T HA 0.244 nan 4.350 nan 0.000 0.251 371 T C 0.091 174.758 174.700 -0.056 0.000 1.002 371 T CA 0.081 62.161 62.100 -0.034 0.000 0.970 371 T CB 0.915 69.767 68.868 -0.027 0.000 1.091 371 T HN -0.520 7.680 8.240 -0.012 0.033 0.495 372 E N 1.671 121.839 120.200 -0.054 0.000 2.235 372 E HA 0.288 nan 4.350 nan 0.000 0.265 372 E C -1.249 175.283 176.600 -0.114 0.000 0.940 372 E CA -2.194 54.157 56.400 -0.082 0.000 0.819 372 E CB 2.554 32.230 29.700 -0.041 0.000 1.206 372 E HN -0.241 8.098 8.360 -0.034 0.000 0.409 373 R N 1.763 122.131 120.500 -0.221 0.000 4.138 373 R HA 0.015 nan 4.340 nan 0.000 0.206 373 R C -1.309 174.956 176.300 -0.058 0.000 1.667 373 R CA -0.212 55.713 56.100 -0.292 0.000 1.481 373 R CB -0.742 28.986 30.300 -0.953 0.000 1.388 373 R HN 0.722 8.833 8.270 -0.265 0.000 0.776 374 M N 0.764 120.369 119.600 0.009 0.000 2.327 374 M HA 0.423 nan 4.480 nan 0.000 0.298 374 M C -0.803 175.535 176.300 0.062 0.000 1.065 374 M CA -2.068 53.271 55.300 0.065 0.000 0.916 374 M CB 3.324 35.953 32.600 0.049 0.000 1.630 374 M HN -0.009 8.225 8.290 -0.014 0.048 0.442 375 G N 4.844 113.691 108.800 0.078 0.000 2.860 375 G HA2 -0.347 nan 3.960 nan 0.000 0.553 375 G HA3 -0.347 nan 3.960 nan 0.000 0.553 375 G C -2.095 172.844 174.900 0.064 0.000 1.439 375 G CA -0.042 45.096 45.100 0.064 0.000 0.879 375 G HN 0.399 8.746 8.290 0.094 0.000 0.545 376 M N 1.375 120.999 119.600 0.040 0.000 2.323 376 M HA 0.205 nan 4.480 nan 0.000 0.278 376 M C -2.781 173.500 176.300 -0.031 0.000 1.069 376 M CA 0.259 55.573 55.300 0.023 0.000 0.950 376 M CB 3.841 36.446 32.600 0.009 0.000 1.879 376 M HN 0.093 8.400 8.290 0.028 0.000 0.491 377 E N 3.683 123.876 120.200 -0.012 0.000 2.277 377 E HA 0.837 nan 4.350 nan 0.000 0.266 377 E C -2.064 174.426 176.600 -0.185 0.000 0.901 377 E CA -1.862 54.455 56.400 -0.139 0.000 0.782 377 E CB 4.330 33.978 29.700 -0.087 0.000 1.228 377 E HN 0.633 9.030 8.360 0.061 0.000 0.424 378 L N 0.576 121.547 121.223 -0.421 0.000 2.325 378 L HA 0.709 nan 4.340 nan 0.000 0.278 378 L C -1.756 174.829 176.870 -0.476 0.000 1.023 378 L CA -0.900 53.763 54.840 -0.295 0.000 0.811 378 L CB 2.597 44.495 42.059 -0.269 0.000 1.249 378 L HN 0.365 8.244 8.230 -0.585 0.000 0.431 379 Y N 1.187 121.440 120.300 -0.078 0.000 2.534 379 Y HA 0.555 nan 4.550 nan 0.000 0.345 379 Y C -2.292 173.521 175.900 -0.145 0.000 1.031 379 Y CA -0.843 57.200 58.100 -0.094 0.000 1.022 379 Y CB 4.228 42.661 38.460 -0.044 0.000 1.292 379 Y HN 0.455 8.832 8.280 0.161 0.000 0.459 380 V N 1.305 121.109 119.914 -0.184 0.000 3.007 380 V HA 0.830 nan 4.120 nan 0.000 0.311 380 V C -2.777 173.107 176.094 -0.350 0.000 1.120 380 V CA -2.185 59.764 62.300 -0.586 0.000 0.980 380 V CB 4.523 35.499 31.823 -1.411 0.000 1.033 380 V HN 0.869 8.889 8.190 -0.110 0.104 0.429 381 R N 5.132 125.388 120.500 -0.408 0.000 2.522 381 R HA 0.407 nan 4.340 nan 0.000 0.283 381 R C -2.608 173.477 176.300 -0.359 0.000 1.074 381 R CA -1.681 54.278 56.100 -0.236 0.000 0.925 381 R CB 3.835 34.098 30.300 -0.061 0.000 1.205 381 R HN 0.120 8.074 8.270 -0.528 0.000 0.436 382 Y N 5.995 126.247 120.300 -0.080 0.000 2.320 382 Y HA 0.217 nan 4.550 nan 0.000 0.334 382 Y C -0.294 175.597 175.900 -0.015 0.000 1.055 382 Y CA 0.647 58.721 58.100 -0.043 0.000 1.143 382 Y CB 0.677 39.115 38.460 -0.036 0.000 1.193 382 Y HN 0.211 8.542 8.280 0.086 0.000 0.477 383 D N 1.377 121.856 120.400 0.131 0.000 3.582 383 D HA -0.416 nan 4.640 nan 0.000 0.258 383 D C 0.393 176.712 176.300 0.031 0.000 1.930 383 D CA 1.434 55.485 54.000 0.084 0.000 1.144 383 D CB -0.157 40.698 40.800 0.090 0.000 0.858 383 D HN 0.595 9.051 8.370 0.144 0.000 1.045 384 G N -2.032 106.776 108.800 0.013 0.000 2.725 384 G HA2 -0.385 nan 3.960 nan 0.000 0.220 384 G HA3 -0.385 nan 3.960 nan 0.000 0.220 384 G C -2.317 172.552 174.900 -0.052 0.000 1.357 384 G CA -0.442 44.647 45.100 -0.018 0.000 0.866 384 G HN 0.152 8.455 8.290 0.022 0.000 0.548 385 D N -0.184 120.169 120.400 -0.078 0.000 2.471 385 D HA 0.505 nan 4.640 nan 0.000 0.245 385 D C -1.026 175.165 176.300 -0.181 0.000 1.116 385 D CA -3.429 50.490 54.000 -0.136 0.000 0.853 385 D CB 0.935 41.688 40.800 -0.078 0.000 1.123 385 D HN -0.725 8.004 8.370 -0.061 -0.395 0.540 386 P HA -0.116 nan 4.420 nan 0.000 0.221 386 P C 0.744 177.929 177.300 -0.191 0.000 1.145 386 P CA 1.903 64.736 63.100 -0.445 0.000 0.795 386 P CB 0.052 31.110 31.700 -1.070 0.000 0.775 387 W N -5.044 116.111 121.300 -0.241 0.000 2.658 387 W HA 0.101 nan 4.660 nan 0.000 0.263 387 W C 0.505 176.969 176.519 -0.091 0.000 1.274 387 W CA 1.298 58.564 57.345 -0.131 0.000 1.343 387 W CB -0.491 28.935 29.460 -0.056 0.000 1.106 387 W HN 0.090 8.505 8.180 -0.125 -0.311 0.615 388 T N -7.332 107.295 114.554 0.122 0.000 2.990 388 T HA 0.134 nan 4.350 nan 0.000 0.250 388 T C 0.027 174.733 174.700 0.010 0.000 1.041 388 T CA -0.303 61.834 62.100 0.062 0.000 1.010 388 T CB 1.403 70.308 68.868 0.061 0.000 1.003 388 T HN -0.652 7.533 8.240 0.077 0.102 0.499 389 D N 4.854 125.240 120.400 -0.023 0.000 2.325 389 D HA 0.135 nan 4.640 nan 0.000 0.251 389 D C 0.093 176.359 176.300 -0.057 0.000 1.196 389 D CA 0.123 54.096 54.000 -0.044 0.000 0.866 389 D CB 0.035 40.796 40.800 -0.064 0.000 1.101 389 D HN -0.087 8.261 8.370 -0.036 0.000 0.476 390 S N 2.004 117.678 115.700 -0.045 0.000 2.528 390 S HA -0.158 nan 4.470 nan 0.000 0.219 390 S C -0.008 174.547 174.600 -0.076 0.000 0.985 390 S CA 0.675 58.844 58.200 -0.051 0.000 0.914 390 S CB 0.435 63.617 63.200 -0.029 0.000 0.776 390 S HN 0.326 8.616 8.310 -0.034 0.000 0.526 391 D N 2.831 123.188 120.400 -0.072 0.000 2.525 391 D HA -0.168 nan 4.640 nan 0.000 0.235 391 D C -0.907 175.328 176.300 -0.109 0.000 1.137 391 D CA 1.066 55.021 54.000 -0.074 0.000 0.868 391 D CB 0.075 40.842 40.800 -0.055 0.000 1.180 391 D HN -0.097 8.188 8.370 -0.060 0.049 0.465 392 A N 2.555 125.313 122.820 -0.103 0.000 2.511 392 A HA 0.051 nan 4.320 nan 0.000 0.242 392 A C -0.555 176.974 177.584 -0.093 0.000 1.069 392 A CA 0.240 52.203 52.037 -0.124 0.000 0.763 392 A CB 0.567 19.517 19.000 -0.084 0.000 1.001 392 A HN 0.197 8.299 8.150 -0.081 0.000 0.498 393 L N 0.360 121.506 121.223 -0.129 0.000 2.439 393 L HA -0.007 nan 4.340 nan 0.000 0.269 393 L C -0.144 176.800 176.870 0.123 0.000 1.179 393 L CA -0.174 54.638 54.840 -0.047 0.000 0.828 393 L CB 0.427 42.407 42.059 -0.132 0.000 1.106 393 L HN 0.140 8.237 8.230 -0.222 0.000 0.467 394 A N 1.778 124.658 122.820 0.099 0.000 2.347 394 A HA 0.074 nan 4.320 nan 0.000 0.287 394 A C -1.008 176.643 177.584 0.112 0.000 1.199 394 A CA -0.751 51.346 52.037 0.101 0.000 0.851 394 A CB 0.624 19.635 19.000 0.018 0.000 1.118 394 A HN 0.468 8.633 8.150 0.025 0.000 0.525 395 H N 5.972 125.041 119.070 -0.001 0.000 3.107 395 H HA -0.203 nan 4.556 nan 0.000 0.301 395 H C -0.520 174.661 175.328 -0.245 0.000 0.981 395 H CA 0.718 56.540 56.048 -0.376 0.000 1.443 395 H CB 0.185 29.802 29.762 -0.242 0.000 1.479 395 H HN 0.506 8.932 8.280 0.243 0.000 0.564 396 S N 7.684 123.062 115.700 -0.537 0.000 2.664 396 S HA 0.168 nan 4.470 nan 0.000 0.245 396 S C -1.596 172.883 174.600 -0.201 0.000 1.019 396 S CA 0.126 58.205 58.200 -0.202 0.000 0.996 396 S CB 1.270 64.451 63.200 -0.032 0.000 0.878 396 S HN 0.546 8.275 8.310 -0.789 0.107 0.493 397 G N -1.641 106.914 108.800 -0.407 0.000 2.402 397 G HA2 -0.196 nan 3.960 nan 0.000 0.666 397 G HA3 -0.196 nan 3.960 nan 0.000 0.666 397 G C -2.831 171.952 174.900 -0.194 0.000 1.402 397 G CA -0.632 44.403 45.100 -0.107 0.000 0.920 397 G HN -0.995 6.615 8.290 -1.134 0.000 0.651 398 V N 2.577 122.490 119.914 -0.001 0.000 2.368 398 V HA 0.191 nan 4.120 nan 0.000 0.266 398 V C 0.168 176.216 176.094 -0.076 0.000 1.045 398 V CA 0.095 62.385 62.300 -0.015 0.000 0.899 398 V CB -0.884 30.981 31.823 0.071 0.000 1.006 398 V HN 0.530 8.771 8.190 0.086 0.000 0.470 399 M N 6.969 126.443 119.600 -0.211 0.000 2.357 399 M HA 0.073 nan 4.480 nan 0.000 0.266 399 M C -0.284 175.942 176.300 -0.122 0.000 1.095 399 M CA 2.797 57.857 55.300 -0.400 0.000 1.156 399 M CB 1.531 33.658 32.600 -0.789 0.000 1.365 399 M HN 0.293 8.464 8.290 -0.198 0.000 0.447 400 V N -3.110 116.769 119.914 -0.058 0.000 2.577 400 V HA 0.330 nan 4.120 nan 0.000 0.303 400 V C -0.883 175.224 176.094 0.021 0.000 1.042 400 V CA -2.100 60.206 62.300 0.011 0.000 0.872 400 V CB 1.849 33.693 31.823 0.035 0.000 0.998 400 V HN -0.278 7.869 8.190 -0.071 0.000 0.423 401 S N 5.590 121.305 115.700 0.025 0.000 2.608 401 S HA 0.274 nan 4.470 nan 0.000 0.261 401 S C 0.806 175.429 174.600 0.038 0.000 1.314 401 S CA 0.179 58.397 58.200 0.030 0.000 0.992 401 S CB 1.636 64.848 63.200 0.020 0.000 0.935 401 S HN 0.421 8.743 8.310 0.020 0.000 0.564 402 M N 1.362 120.986 119.600 0.039 0.000 2.460 402 M HA -0.171 nan 4.480 nan 0.000 0.263 402 M C 0.611 176.936 176.300 0.040 0.000 1.071 402 M CA 2.524 57.849 55.300 0.041 0.000 1.096 402 M CB 0.077 32.699 32.600 0.036 0.000 1.408 402 M HN 0.701 9.012 8.290 0.036 0.000 0.463 403 K N -2.204 118.217 120.400 0.035 0.000 2.486 403 K HA -0.132 nan 4.320 nan 0.000 0.194 403 K C -0.066 176.559 176.600 0.043 0.000 1.033 403 K CA 0.928 57.235 56.287 0.033 0.000 1.004 403 K CB 0.448 32.962 32.500 0.022 0.000 0.798 403 K HN -0.682 7.531 8.250 0.030 0.056 0.495 404 E N -1.390 118.841 120.200 0.052 0.000 2.263 404 E HA 0.486 nan 4.350 nan 0.000 0.264 404 E C -2.475 174.185 176.600 0.101 0.000 0.923 404 E CA -3.151 53.288 56.400 0.065 0.000 0.802 404 E CB 1.418 31.149 29.700 0.051 0.000 1.228 404 E HN -0.409 7.816 8.360 0.052 0.167 0.417 405 P HA 0.103 nan 4.420 nan 0.000 0.276 405 P C -1.134 176.329 177.300 0.272 0.000 1.230 405 P CA -0.835 62.410 63.100 0.242 0.000 0.776 405 P CB 0.143 31.954 31.700 0.185 0.000 0.888 406 G N 2.194 111.209 108.800 0.359 0.000 2.866 406 G HA2 0.224 nan 3.960 nan 0.000 0.291 406 G HA3 0.224 nan 3.960 nan 0.000 0.291 406 G C -2.110 173.018 174.900 0.381 0.000 1.476 406 G CA -0.272 45.000 45.100 0.287 0.000 1.048 406 G HN 0.201 8.593 8.290 0.372 0.122 0.542 407 W N 4.064 125.432 121.300 0.114 0.000 3.707 407 W HA 0.395 nan 4.660 nan 0.000 0.644 407 W C -0.680 176.043 176.519 0.340 0.000 2.841 407 W CA -0.492 56.965 57.345 0.187 0.000 1.040 407 W CB 1.318 30.833 29.460 0.091 0.000 2.755 407 W HN 0.398 8.885 8.180 0.511 0.000 0.544 408 Y N -2.255 118.298 120.300 0.422 0.000 2.480 408 Y HA -0.114 nan 4.550 nan 0.000 0.338 408 Y C -0.130 175.960 175.900 0.316 0.000 1.220 408 Y CA -0.238 58.065 58.100 0.338 0.000 1.430 408 Y CB 0.267 38.951 38.460 0.374 0.000 1.311 408 Y HN -0.412 8.580 8.280 0.722 -0.279 0.575 409 S N 0.007 115.930 115.700 0.372 0.000 2.595 409 S HA 0.864 nan 4.470 nan 0.000 0.281 409 S C -1.899 172.862 174.600 0.269 0.000 1.117 409 S CA -1.510 56.808 58.200 0.196 0.000 0.873 409 S CB 3.158 66.421 63.200 0.107 0.000 1.108 409 S HN -0.009 8.472 8.310 0.286 0.000 0.477 410 F N -4.870 115.241 119.950 0.268 0.000 2.668 410 F HA 0.458 nan 4.527 nan 0.000 0.309 410 F C -1.859 174.124 175.800 0.304 0.000 1.117 410 F CA -1.155 57.006 58.000 0.268 0.000 0.951 410 F CB 2.189 41.367 39.000 0.297 0.000 1.323 410 F HN 0.523 8.504 8.300 -0.531 0.000 0.451 411 G N -1.701 107.357 108.800 0.430 0.000 2.437 411 G HA2 0.771 nan 3.960 nan 0.000 0.319 411 G HA3 0.771 nan 3.960 nan 0.000 0.319 411 G C -2.275 172.956 174.900 0.551 0.000 1.158 411 G CA -1.222 44.068 45.100 0.316 0.000 0.899 411 G HN 0.017 8.573 8.290 0.444 0.000 0.502 412 F N -3.946 116.153 119.950 0.249 0.000 2.773 412 F HA 0.487 nan 4.527 nan 0.000 0.314 412 F C -3.269 172.626 175.800 0.159 0.000 1.160 412 F CA -1.761 56.387 58.000 0.246 0.000 0.920 412 F CB 2.350 41.558 39.000 0.347 0.000 1.323 412 F HN 0.356 8.663 8.300 0.012 0.000 0.457 413 E N -0.870 119.450 120.200 0.200 0.000 2.272 413 E HA 0.690 nan 4.350 nan 0.000 0.269 413 E C -1.332 175.363 176.600 0.158 0.000 0.877 413 E CA -1.517 54.904 56.400 0.035 0.000 0.755 413 E CB 3.555 33.301 29.700 0.077 0.000 1.192 413 E HN 0.041 8.653 8.360 0.419 0.000 0.422 414 I N 3.307 123.910 120.570 0.056 0.000 2.392 414 I HA 0.095 nan 4.170 nan 0.000 0.295 414 I C -0.892 175.256 176.117 0.050 0.000 0.985 414 I CA -0.814 60.551 61.300 0.109 0.000 1.221 414 I CB 1.857 39.905 38.000 0.081 0.000 1.366 414 I HN 0.906 8.970 8.210 -0.071 0.104 0.467 415 K N 7.185 127.620 120.400 0.058 0.000 2.273 415 K HA 0.077 nan 4.320 nan 0.000 0.287 415 K C -0.674 175.936 176.600 0.017 0.000 1.089 415 K CA -0.959 55.347 56.287 0.032 0.000 0.909 415 K CB -1.118 31.401 32.500 0.030 0.000 1.123 415 K HN 0.523 8.820 8.250 0.078 0.000 0.473 416 D N 4.702 125.104 120.400 0.003 0.000 2.447 416 D HA 0.070 nan 4.640 nan 0.000 0.265 416 D C 1.020 177.321 176.300 0.001 0.000 1.250 416 D CA -0.424 53.574 54.000 -0.003 0.000 1.046 416 D CB 2.439 43.231 40.800 -0.015 0.000 1.095 416 D HN 0.219 8.588 8.370 -0.001 0.000 0.555 417 K N 0.973 121.372 120.400 -0.002 0.000 2.032 417 K HA -0.236 nan 4.320 nan 0.000 0.209 417 K C 1.584 178.184 176.600 0.000 0.000 1.048 417 K CA 3.562 59.849 56.287 -0.001 0.000 0.927 417 K CB 0.036 32.534 32.500 -0.003 0.000 0.712 417 K HN 0.604 8.852 8.250 -0.005 0.000 0.441 418 K N -4.285 116.114 120.400 -0.002 0.000 2.438 418 K HA 0.141 nan 4.320 nan 0.000 0.206 418 K C -1.441 175.158 176.600 -0.001 0.000 1.081 418 K CA -0.288 55.998 56.287 -0.001 0.000 1.053 418 K CB 1.247 33.744 32.500 -0.004 0.000 0.908 418 K HN 0.104 8.352 8.250 -0.004 0.000 0.556 419 c N -5.185 113.414 118.600 -0.001 0.000 3.288 419 c HA 0.477 nan 4.570 nan 0.000 0.318 419 c C -1.919 172.169 174.090 -0.003 0.000 1.356 419 c CA -2.967 53.362 56.329 -0.001 0.000 1.359 419 c CB 3.089 45.596 42.510 -0.005 0.000 1.688 419 c HN -0.624 7.605 8.230 -0.003 0.000 0.467 420 D N -0.364 120.035 120.400 -0.002 0.000 2.163 420 D HA 0.535 nan 4.640 nan 0.000 0.248 420 D C -1.062 175.215 176.300 -0.039 0.000 1.035 420 D CA -0.854 53.143 54.000 -0.005 0.000 0.872 420 D CB 1.865 42.676 40.800 0.017 0.000 1.183 420 D HN -0.139 8.233 8.370 0.003 0.000 0.445 421 V N 2.924 122.795 119.914 -0.072 0.000 2.334 421 V HA 0.377 nan 4.120 nan 0.000 0.281 421 V C -2.173 173.784 176.094 -0.229 0.000 1.016 421 V CA -3.845 58.362 62.300 -0.155 0.000 0.832 421 V CB 1.592 33.319 31.823 -0.160 0.000 0.999 421 V HN 0.808 8.865 8.190 -0.048 0.104 0.439 422 P HA 0.484 nan 4.420 nan 0.000 0.276 422 P C -1.465 175.513 177.300 -0.538 0.000 1.235 422 P CA -0.546 62.371 63.100 -0.306 0.000 0.772 422 P CB 0.172 31.769 31.700 -0.173 0.000 0.871 423 c N 2.183 120.468 118.600 -0.524 0.000 2.994 423 c HA 0.896 nan 4.570 nan 0.000 0.304 423 c C -1.118 172.856 174.090 -0.194 0.000 1.273 423 c CA -1.195 54.818 56.329 -0.526 0.000 1.537 423 c CB 4.619 46.491 42.510 -1.064 0.000 2.001 423 c HN 0.703 8.630 8.230 -0.506 0.000 0.471 424 I N 0.409 121.035 120.570 0.093 0.000 2.465 424 I HA 0.603 nan 4.170 nan 0.000 0.291 424 I C -1.569 174.568 176.117 0.033 0.000 1.014 424 I CA -1.223 60.115 61.300 0.063 0.000 1.093 424 I CB 3.737 41.768 38.000 0.052 0.000 1.267 424 I HN 0.843 9.172 8.210 0.198 0.000 0.431 425 G N 5.294 113.895 108.800 -0.332 0.000 2.400 425 G HA2 0.880 nan 3.960 nan 0.000 0.333 425 G HA3 0.880 nan 3.960 nan 0.000 0.333 425 G C -2.554 171.957 174.900 -0.648 0.000 1.143 425 G CA -2.012 42.763 45.100 -0.542 0.000 0.914 425 G HN 0.730 8.671 8.290 -0.581 0.000 0.480 426 I N 0.422 120.908 120.570 -0.140 0.000 2.466 426 I HA 0.411 nan 4.170 nan 0.000 0.289 426 I C -1.731 174.503 176.117 0.195 0.000 1.026 426 I CA -0.978 60.349 61.300 0.045 0.000 1.078 426 I CB 3.535 41.583 38.000 0.081 0.000 1.249 426 I HN 0.876 9.088 8.210 0.004 0.000 0.429 427 E N 7.674 128.054 120.200 0.301 0.000 2.259 427 E HA 0.231 nan 4.350 nan 0.000 0.281 427 E C -1.548 175.142 176.600 0.149 0.000 1.037 427 E CA -0.605 55.956 56.400 0.267 0.000 0.854 427 E CB 1.710 31.608 29.700 0.330 0.000 1.051 427 E HN 0.887 9.345 8.360 0.339 0.105 0.409 428 M N 7.385 126.985 119.600 -0.000 0.000 2.065 428 M HA 0.239 nan 4.480 nan 0.000 0.332 428 M C -1.638 174.404 176.300 -0.430 0.000 0.988 428 M CA -1.180 54.065 55.300 -0.091 0.000 0.944 428 M CB 1.403 33.990 32.600 -0.023 0.000 1.357 428 M HN 0.607 8.792 8.290 -0.013 0.098 0.388 429 V N 4.018 123.492 119.914 -0.734 0.000 2.614 429 V HA 0.057 nan 4.120 nan 0.000 0.291 429 V C -0.031 175.535 176.094 -0.879 0.000 1.049 429 V CA -0.403 61.237 62.300 -1.099 0.000 1.038 429 V CB 0.260 30.831 31.823 -2.085 0.000 0.980 429 V HN 0.420 8.156 8.190 -0.756 0.000 0.481 430 H N 6.495 125.255 119.070 -0.515 0.000 2.761 430 H HA 0.156 nan 4.556 nan 0.000 0.284 430 H C -1.431 173.542 175.328 -0.591 0.000 1.105 430 H CA -1.339 54.446 56.048 -0.439 0.000 1.352 430 H CB 0.028 29.556 29.762 -0.390 0.000 1.423 430 H HN 0.958 8.634 8.280 -0.821 0.111 0.464 431 D N 4.043 124.263 120.400 -0.300 0.000 2.425 431 D HA 0.114 nan 4.640 nan 0.000 0.240 431 D C -0.563 175.667 176.300 -0.117 0.000 1.080 431 D CA -0.942 52.966 54.000 -0.153 0.000 0.836 431 D CB 1.058 41.915 40.800 0.096 0.000 1.125 431 D HN -0.044 8.217 8.370 -0.182 0.000 0.525 432 G N 4.509 113.205 108.800 -0.173 0.000 3.735 432 G HA2 0.277 nan 3.960 nan 0.000 0.283 432 G HA3 0.277 nan 3.960 nan 0.000 0.283 432 G C -1.033 173.811 174.900 -0.094 0.000 1.007 432 G CA -1.000 43.997 45.100 -0.172 0.000 0.821 432 G HN 0.324 8.521 8.290 -0.156 0.000 0.505 433 G N 0.664 109.448 108.800 -0.028 0.000 2.782 433 G HA2 -0.332 nan 3.960 nan 0.000 0.228 433 G HA3 -0.332 nan 3.960 nan 0.000 0.228 433 G C -0.743 174.120 174.900 -0.063 0.000 1.372 433 G CA -0.415 44.667 45.100 -0.030 0.000 0.862 433 G HN -0.573 7.981 8.290 0.029 -0.246 0.547 434 K N -2.242 118.124 120.400 -0.057 0.000 2.432 434 K HA -0.189 nan 4.320 nan 0.000 0.196 434 K C 0.670 177.259 176.600 -0.019 0.000 1.038 434 K CA 1.679 57.933 56.287 -0.054 0.000 0.986 434 K CB -0.337 32.136 32.500 -0.045 0.000 0.782 434 K HN 0.360 8.584 8.250 -0.043 0.000 0.485 435 K N -2.225 118.165 120.400 -0.018 0.000 2.444 435 K HA 0.026 nan 4.320 nan 0.000 0.193 435 K C 0.143 176.762 176.600 0.032 0.000 1.024 435 K CA 0.360 56.654 56.287 0.011 0.000 1.077 435 K CB -0.058 32.444 32.500 0.003 0.000 0.833 435 K HN 0.051 8.234 8.250 -0.031 0.049 0.517 436 T N -0.485 114.059 114.554 -0.017 0.000 2.696 436 T HA 0.274 nan 4.350 nan 0.000 0.291 436 T C -1.619 173.010 174.700 -0.119 0.000 1.095 436 T CA -1.700 60.374 62.100 -0.042 0.000 1.026 436 T CB 1.715 70.449 68.868 -0.224 0.000 1.390 436 T HN -0.679 7.468 8.240 -0.052 0.062 0.513 437 W N -0.507 120.555 121.300 -0.397 0.000 2.137 437 W HA 0.129 nan 4.660 nan 0.000 0.344 437 W C -1.569 174.827 176.519 -0.205 0.000 1.286 437 W CA -1.299 55.757 57.345 -0.482 0.000 1.240 437 W CB 0.386 29.198 29.460 -1.080 0.000 1.141 437 W HN 0.093 7.979 8.180 -0.490 0.000 0.579 438 H N 4.477 123.545 119.070 -0.004 0.000 2.823 438 H HA 0.190 nan 4.556 nan 0.000 0.332 438 H C -2.026 173.326 175.328 0.041 0.000 0.980 438 H CA -0.033 55.947 56.048 -0.113 0.000 1.286 438 H CB 2.071 31.756 29.762 -0.127 0.000 1.541 438 H HN -0.379 8.044 8.280 0.238 0.000 0.521 439 S N 4.621 120.245 115.700 -0.127 0.000 2.800 439 S HA 0.591 nan 4.470 nan 0.000 0.293 439 S C -2.768 171.721 174.600 -0.186 0.000 1.209 439 S CA -1.743 56.440 58.200 -0.028 0.000 0.884 439 S CB 2.780 66.010 63.200 0.050 0.000 1.244 439 S HN -0.305 7.812 8.310 -0.321 0.000 0.540 440 A N -1.924 120.873 122.820 -0.039 0.000 2.612 440 A HA 0.615 nan 4.320 nan 0.000 0.293 440 A C -1.966 175.627 177.584 0.015 0.000 1.075 440 A CA -0.723 51.162 52.037 -0.254 0.000 0.680 440 A CB 2.975 21.840 19.000 -0.225 0.000 1.279 440 A HN 0.102 8.358 8.150 0.176 0.000 0.411 441 A N 0.178 122.956 122.820 -0.069 0.000 2.269 441 A HA 0.659 nan 4.320 nan 0.000 0.327 441 A C -1.434 176.224 177.584 0.122 0.000 1.112 441 A CA -1.741 50.365 52.037 0.115 0.000 0.865 441 A CB 2.616 21.698 19.000 0.137 0.000 1.227 441 A HN 0.700 8.563 8.150 -0.296 0.111 0.498 442 T N -0.004 114.659 114.554 0.182 0.000 2.879 442 T HA 0.657 nan 4.350 nan 0.000 0.290 442 T C -2.131 172.663 174.700 0.156 0.000 0.993 442 T CA -0.348 61.877 62.100 0.209 0.000 0.975 442 T CB 1.701 70.719 68.868 0.250 0.000 0.981 442 T HN 0.254 8.603 8.240 0.183 0.000 0.439 443 A N 6.447 129.363 122.820 0.161 0.000 2.337 443 A HA 1.177 nan 4.320 nan 0.000 0.329 443 A C -2.530 175.172 177.584 0.197 0.000 1.146 443 A CA -2.444 49.696 52.037 0.171 0.000 0.800 443 A CB 2.521 21.652 19.000 0.217 0.000 1.220 443 A HN 1.022 9.274 8.150 0.170 0.000 0.472 444 I N 0.553 121.225 120.570 0.170 0.000 2.498 444 I HA 0.647 nan 4.170 nan 0.000 0.290 444 I C -1.935 174.239 176.117 0.095 0.000 1.032 444 I CA -0.680 60.742 61.300 0.205 0.000 1.073 444 I CB 3.380 41.504 38.000 0.207 0.000 1.251 444 I HN 0.596 8.861 8.210 0.092 0.000 0.426 445 Y N 5.000 125.350 120.300 0.083 0.000 2.409 445 Y HA 0.626 nan 4.550 nan 0.000 0.343 445 Y C -1.587 174.293 175.900 -0.033 0.000 0.973 445 Y CA -1.431 56.722 58.100 0.088 0.000 1.064 445 Y CB 3.583 42.163 38.460 0.200 0.000 1.207 445 Y HN 0.666 9.173 8.280 0.379 0.000 0.452 446 c N 1.101 119.578 118.600 -0.206 0.000 2.898 446 c HA 0.740 nan 4.570 nan 0.000 0.304 446 c C -1.350 172.097 174.090 -1.071 0.000 1.237 446 c CA -1.470 54.440 56.329 -0.699 0.000 1.529 446 c CB 4.428 46.667 42.510 -0.452 0.000 2.021 446 c HN 0.509 8.640 8.230 -0.166 0.000 0.474 447 L N 3.301 123.525 121.223 -1.666 0.000 2.584 447 L HA 0.038 nan 4.340 nan 0.000 0.272 447 L C -1.510 175.067 176.870 -0.488 0.000 1.195 447 L CA 1.708 55.881 54.840 -1.112 0.000 0.920 447 L CB 0.248 41.811 42.059 -0.826 0.000 1.173 447 L HN 0.196 7.362 8.230 -1.773 0.000 0.489 448 M N 3.375 122.810 119.600 -0.275 0.000 2.307 448 M HA 0.243 nan 4.480 nan 0.000 0.279 448 M C -1.221 175.039 176.300 -0.066 0.000 1.080 448 M CA -0.652 54.557 55.300 -0.152 0.000 0.964 448 M CB 2.417 34.930 32.600 -0.144 0.000 1.825 448 M HN 0.419 8.573 8.290 -0.228 0.000 0.489 449 G N 1.364 110.140 108.800 -0.040 0.000 2.645 449 G HA2 -0.372 nan 3.960 nan 0.000 0.246 449 G HA3 -0.372 nan 3.960 nan 0.000 0.246 449 G C -1.504 173.412 174.900 0.027 0.000 1.322 449 G CA -0.034 45.063 45.100 -0.006 0.000 0.898 449 G HN 0.410 8.669 8.290 -0.052 0.000 0.573 450 S N -0.328 115.395 115.700 0.039 0.000 2.806 450 S HA 0.826 nan 4.470 nan 0.000 0.315 450 S C 0.039 174.681 174.600 0.069 0.000 1.127 450 S CA -0.799 57.440 58.200 0.065 0.000 0.918 450 S CB 2.995 66.225 63.200 0.050 0.000 1.240 450 S HN 0.181 8.506 8.310 0.026 0.000 0.552 451 G N 0.700 109.549 108.800 0.082 0.000 2.464 451 G HA2 -0.241 nan 3.960 nan 0.000 0.216 451 G HA3 -0.241 nan 3.960 nan 0.000 0.216 451 G C -1.844 173.121 174.900 0.108 0.000 1.186 451 G CA -0.327 44.819 45.100 0.078 0.000 1.010 451 G HN 0.120 8.465 8.290 0.091 0.000 0.585 452 Q N -0.045 119.816 119.800 0.102 0.000 2.433 452 Q HA 0.271 nan 4.340 nan 0.000 0.279 452 Q C -0.867 175.212 176.000 0.131 0.000 1.105 452 Q CA -1.757 54.119 55.803 0.122 0.000 0.815 452 Q CB 2.806 31.604 28.738 0.101 0.000 1.403 452 Q HN 0.077 8.397 8.270 0.083 0.000 0.435 453 L N 0.780 122.097 121.223 0.157 0.000 2.455 453 L HA -0.014 nan 4.340 nan 0.000 0.272 453 L C -0.206 176.771 176.870 0.177 0.000 1.174 453 L CA 0.872 55.824 54.840 0.187 0.000 0.869 453 L CB 0.379 42.554 42.059 0.194 0.000 1.130 453 L HN 0.340 8.662 8.230 0.155 0.000 0.474 454 L N 5.472 126.808 121.223 0.189 0.000 2.316 454 L HA 0.137 nan 4.340 nan 0.000 0.207 454 L C 0.175 177.231 176.870 0.310 0.000 1.070 454 L CA 0.890 55.831 54.840 0.168 0.000 0.820 454 L CB 0.939 43.031 42.059 0.056 0.000 0.992 454 L HN 0.178 8.828 8.230 0.196 -0.302 0.466 455 W N -2.332 119.052 121.300 0.141 0.000 3.107 455 W HA 0.166 nan 4.660 nan 0.000 0.331 455 W C -1.960 174.688 176.519 0.216 0.000 1.204 455 W CA -1.725 55.699 57.345 0.133 0.000 1.184 455 W CB 2.883 32.395 29.460 0.086 0.000 1.421 455 W HN -0.459 7.981 8.180 0.433 0.000 0.544 456 D N 0.294 120.810 120.400 0.193 0.000 2.437 456 D HA 0.479 nan 4.640 nan 0.000 0.259 456 D C -1.355 174.956 176.300 0.019 0.000 1.118 456 D CA -1.326 52.748 54.000 0.124 0.000 1.017 456 D CB 2.073 42.888 40.800 0.024 0.000 1.120 456 D HN 0.008 8.392 8.370 0.023 0.000 0.541 457 T N -0.197 114.411 114.554 0.090 0.000 2.829 457 T HA 0.410 nan 4.350 nan 0.000 0.280 457 T C -1.214 173.489 174.700 0.004 0.000 0.999 457 T CA -0.133 61.998 62.100 0.052 0.000 0.983 457 T CB 1.349 70.330 68.868 0.189 0.000 0.968 457 T HN 0.057 8.372 8.240 0.125 0.000 0.446 458 V N -0.960 118.932 119.914 -0.036 0.000 2.864 458 V HA 0.695 nan 4.120 nan 0.000 0.314 458 V C -0.210 175.892 176.094 0.014 0.000 1.073 458 V CA -2.627 59.662 62.300 -0.018 0.000 0.956 458 V CB 2.228 34.016 31.823 -0.058 0.000 1.023 458 V HN 0.075 8.227 8.190 -0.064 0.000 0.435 459 T N -2.156 112.430 114.554 0.053 0.000 2.985 459 T HA 0.074 nan 4.350 nan 0.000 0.266 459 T C 1.535 176.258 174.700 0.039 0.000 1.076 459 T CA 1.467 63.623 62.100 0.093 0.000 1.135 459 T CB 0.802 69.813 68.868 0.239 0.000 0.890 459 T HN 0.312 8.853 8.240 0.060 -0.265 0.480 460 G N 1.488 110.293 108.800 0.009 0.000 2.155 460 G HA2 -0.374 nan 3.960 nan 0.000 0.257 460 G HA3 -0.374 nan 3.960 nan 0.000 0.257 460 G C -0.736 174.141 174.900 -0.039 0.000 0.983 460 G CA 0.814 45.899 45.100 -0.026 0.000 0.676 460 G HN 0.231 8.504 8.290 0.016 0.026 0.528 461 V N 0.527 120.425 119.914 -0.026 0.000 2.407 461 V HA 0.114 nan 4.120 nan 0.000 0.278 461 V C -0.681 175.382 176.094 -0.051 0.000 1.037 461 V CA -0.178 62.075 62.300 -0.079 0.000 0.900 461 V CB 0.532 32.215 31.823 -0.234 0.000 0.983 461 V HN -0.611 7.573 8.190 0.019 0.018 0.459 462 D N 6.020 126.401 120.400 -0.032 0.000 2.373 462 D HA 0.156 nan 4.640 nan 0.000 0.227 462 D C 0.548 176.863 176.300 0.025 0.000 1.091 462 D CA -1.111 52.883 54.000 -0.010 0.000 0.840 462 D CB 1.181 41.980 40.800 -0.003 0.000 1.060 462 D HN 0.248 8.597 8.370 -0.035 0.000 0.502 463 M N 4.797 124.394 119.600 -0.006 0.000 2.549 463 M HA -0.233 nan 4.480 nan 0.000 0.260 463 M C 0.674 177.020 176.300 0.076 0.000 1.076 463 M CA 1.945 57.254 55.300 0.015 0.000 1.090 463 M CB -0.094 32.339 32.600 -0.279 0.000 1.418 463 M HN 0.566 8.828 8.290 -0.046 0.000 0.486 464 A N -1.263 121.584 122.820 0.045 0.000 2.067 464 A HA -0.044 nan 4.320 nan 0.000 0.217 464 A C 0.162 177.802 177.584 0.094 0.000 1.156 464 A CA 1.009 53.081 52.037 0.059 0.000 0.683 464 A CB 0.114 19.131 19.000 0.028 0.000 0.808 464 A HN -0.295 8.153 8.150 0.021 -0.285 0.455 465 L N 0.000 121.279 121.223 0.093 0.000 2.949 465 L HA 0.000 nan 4.340 nan 0.000 0.249 465 L CA 0.000 54.885 54.840 0.075 0.000 0.813 465 L CB 0.000 42.085 42.059 0.043 0.000 0.961 465 L HN 0.000 8.256 8.230 0.084 0.024 0.502