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 2z2y_1_A DATA FIRST_RESID 81 DATA SEQUENCE QPAQTIPWGI ERVKAPSVWS ITDGSVSVIQ VAVLDTGVDY DHPDLAANIA DATA SEQUENCE WcVSTLRGKV STKLRDcADQ NGHGTHVIGT IAALNNDIGV VGVAPGVQIY DATA SEQUENCE SVRVLDARGS GSYSDIAIGI EQAILGPDGV ADKDGDGIIA GDPDDDAAEV DATA SEQUENCE ISMSLGGPAD DSYLYDMIIQ AYNAGIVIVA ASGNEGAPSP SYPAAYPEVI DATA SEQUENCE AVGAIDSNDN IASFSNRQPE VSAPGVDILS TYPDDSYETL MGTCMATPHV DATA SEQUENCE SGVVALIQAA YYQKYGKILP VGTFDDISKN TVRGILHITA DDLGPTGWDA DATA SEQUENCE DYGYGVVRAA LAVQAALG 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 81 Q HA 0.000 nan 4.340 nan 0.000 0.214 81 Q C 0.000 176.032 176.000 0.053 0.000 1.003 81 Q CA 0.000 55.859 55.803 0.094 0.000 1.022 81 Q CB 0.000 28.794 28.738 0.093 0.000 1.108 82 P HA 0.456 nan 4.420 nan 0.000 0.274 82 P C -0.588 176.678 177.300 -0.057 0.000 1.231 82 P CA -0.406 62.672 63.100 -0.037 0.000 0.790 82 P CB 0.540 32.177 31.700 -0.106 0.000 0.951 83 A N 1.818 124.613 122.820 -0.042 0.000 2.531 83 A HA 0.027 4.395 4.320 0.079 0.000 0.236 83 A C 0.609 178.156 177.584 -0.062 0.000 1.062 83 A CA -0.184 51.833 52.037 -0.034 0.000 0.760 83 A CB -0.345 18.644 19.000 -0.018 0.000 0.995 83 A HN 0.695 nan 8.150 nan 0.000 0.501 84 Q N 0.615 120.389 119.800 -0.044 0.000 2.330 84 Q HA 0.309 4.697 4.340 0.079 0.000 0.279 84 Q C 0.217 176.197 176.000 -0.035 0.000 1.024 84 Q CA 0.850 56.622 55.803 -0.051 0.000 0.900 84 Q CB 0.361 29.089 28.738 -0.016 0.000 1.221 84 Q HN 0.865 nan 8.270 nan 0.000 0.396 85 T N 0.805 115.332 114.554 -0.046 0.000 2.916 85 T HA 0.618 5.016 4.350 0.079 0.000 0.292 85 T C -0.213 174.499 174.700 0.020 0.000 1.055 85 T CA -0.890 61.206 62.100 -0.007 0.000 1.009 85 T CB 0.873 69.732 68.868 -0.014 0.000 1.118 85 T HN 0.516 nan 8.240 nan 0.000 0.497 86 I N 2.597 123.200 120.570 0.055 0.000 2.307 86 I HA 0.331 4.548 4.170 0.079 0.000 0.289 86 I C -2.250 173.916 176.117 0.082 0.000 1.021 86 I CA -2.336 59.014 61.300 0.083 0.000 1.224 86 I CB 1.191 39.256 38.000 0.108 0.000 1.376 86 I HN 0.454 nan 8.210 nan 0.000 0.470 87 P HA -0.085 nan 4.420 nan 0.000 0.267 87 P C 0.915 178.257 177.300 0.071 0.000 1.200 87 P CA -0.298 62.840 63.100 0.063 0.000 0.772 87 P CB 0.355 32.051 31.700 -0.007 0.000 0.855 88 W N 2.499 123.841 121.300 0.069 0.000 2.325 88 W HA -0.151 4.562 4.660 0.089 0.000 0.299 88 W C 1.236 177.794 176.519 0.066 0.000 1.215 88 W CA 1.474 58.851 57.345 0.053 0.000 1.244 88 W CB -2.049 27.432 29.460 0.035 0.000 1.140 88 W HN 0.414 nan 8.180 nan 0.000 0.523 89 G N 2.071 110.329 108.800 -0.904 0.000 2.432 89 G HA2 -0.207 3.801 3.960 0.079 0.000 0.219 89 G HA3 -0.207 3.801 3.960 0.079 0.000 0.219 89 G C 1.474 176.255 174.900 -0.198 0.000 1.135 89 G CA 1.418 45.959 45.100 -0.931 0.000 0.767 89 G HN 0.146 nan 8.290 nan 0.000 0.550 90 I N 1.295 121.850 120.570 -0.024 0.000 2.226 90 I HA -0.089 4.128 4.170 0.079 0.000 0.245 90 I C 2.566 178.697 176.117 0.023 0.000 1.100 90 I CA 0.922 62.264 61.300 0.069 0.000 1.374 90 I CB -1.020 37.041 38.000 0.102 0.000 1.057 90 I HN 0.227 nan 8.210 nan 0.000 0.413 91 E N 0.505 120.718 120.200 0.022 0.000 2.072 91 E HA -0.223 4.174 4.350 0.079 0.000 0.191 91 E C 2.242 178.859 176.600 0.029 0.000 0.985 91 E CA 0.751 57.158 56.400 0.012 0.000 0.801 91 E CB -0.301 29.432 29.700 0.055 0.000 0.750 91 E HN 0.283 nan 8.360 nan 0.000 0.452 92 R N 1.500 122.043 120.500 0.071 0.000 2.091 92 R HA -0.126 4.262 4.340 0.079 0.000 0.238 92 R C 2.210 178.526 176.300 0.027 0.000 1.136 92 R CA 1.497 57.651 56.100 0.090 0.000 0.959 92 R CB -0.636 29.772 30.300 0.180 0.000 0.856 92 R HN 0.205 nan 8.270 nan 0.000 0.437 93 V N -1.739 118.176 119.914 0.002 0.000 3.646 93 V HA 0.231 4.398 4.120 0.079 0.000 0.277 93 V C -0.221 175.874 176.094 0.002 0.000 1.274 93 V CA -0.037 62.273 62.300 0.016 0.000 1.164 93 V CB -0.546 31.310 31.823 0.056 0.000 0.926 93 V HN 0.258 nan 8.190 nan 0.000 0.442 94 K N -0.391 119.992 120.400 -0.028 0.000 3.125 94 K HA -0.229 4.139 4.320 0.079 0.000 0.268 94 K C 0.959 177.480 176.600 -0.132 0.000 1.078 94 K CA 0.959 57.202 56.287 -0.074 0.000 0.775 94 K CB -2.215 30.258 32.500 -0.045 0.000 1.253 94 K HN 0.858 nan 8.250 nan 0.000 0.486 95 A N -0.000 122.717 122.820 -0.171 0.000 1.878 95 A HA 0.063 4.431 4.320 0.079 0.000 0.213 95 A C -0.574 176.483 177.584 -0.878 0.000 1.192 95 A CA 0.843 52.717 52.037 -0.270 0.000 0.619 95 A CB -0.493 18.512 19.000 0.010 0.000 0.837 95 A HN 0.284 nan 8.150 nan 0.000 0.446 96 P HA -0.140 nan 4.420 nan 0.000 0.218 96 P C 1.704 178.390 177.300 -1.024 0.000 1.149 96 P CA 1.922 63.923 63.100 -1.832 0.000 0.817 96 P CB -0.139 30.966 31.700 -0.990 0.000 0.785 97 S N -1.551 113.824 115.700 -0.543 0.000 2.515 97 S HA -0.052 4.465 4.470 0.079 0.000 0.231 97 S C 1.763 176.237 174.600 -0.211 0.000 0.987 97 S CA 0.688 58.718 58.200 -0.283 0.000 0.936 97 S CB -1.481 61.615 63.200 -0.173 0.000 0.766 97 S HN -0.041 nan 8.310 nan 0.000 0.528 98 V N 0.146 119.890 119.914 -0.283 0.000 2.871 98 V HA -0.004 4.164 4.120 0.079 0.000 0.256 98 V C 2.070 178.210 176.094 0.077 0.000 1.082 98 V CA 0.813 63.063 62.300 -0.083 0.000 1.105 98 V CB -0.955 30.852 31.823 -0.026 0.000 0.713 98 V HN 0.621 nan 8.190 nan 0.000 0.473 99 W N 0.791 122.097 121.300 0.010 0.000 2.465 99 W HA -0.094 4.611 4.660 0.074 0.000 0.268 99 W C 2.772 179.295 176.519 0.006 0.000 1.242 99 W CA 1.168 58.517 57.345 0.007 0.000 1.248 99 W CB -1.536 27.927 29.460 0.005 0.000 1.118 99 W HN 0.525 nan 8.180 nan 0.000 0.587 100 S N -0.024 115.788 115.700 0.186 0.000 2.419 100 S HA -0.166 4.351 4.470 0.079 0.000 0.233 100 S C 1.712 176.361 174.600 0.083 0.000 1.016 100 S CA 1.233 59.498 58.200 0.108 0.000 0.974 100 S CB -0.712 62.526 63.200 0.062 0.000 0.786 100 S HN 0.225 nan 8.310 nan 0.000 0.492 101 I N 0.313 120.935 120.570 0.088 0.000 2.364 101 I HA 0.146 4.363 4.170 0.079 0.000 0.241 101 I C 1.212 177.377 176.117 0.082 0.000 1.082 101 I CA 0.915 62.254 61.300 0.065 0.000 1.401 101 I CB 0.050 38.083 38.000 0.054 0.000 1.126 101 I HN 0.311 nan 8.210 nan 0.000 0.429 102 T N -0.206 114.424 114.554 0.126 0.000 2.982 102 T HA 0.162 4.559 4.350 0.079 0.000 0.321 102 T C -1.094 173.717 174.700 0.185 0.000 1.229 102 T CA -0.728 61.445 62.100 0.120 0.000 1.044 102 T CB 1.230 70.156 68.868 0.096 0.000 1.184 102 T HN 0.321 nan 8.240 nan 0.000 0.477 103 D N 1.658 122.107 120.400 0.082 0.000 2.342 103 D HA 0.290 4.978 4.640 0.079 0.000 0.221 103 D C 1.482 177.750 176.300 -0.053 0.000 1.101 103 D CA 0.626 54.593 54.000 -0.054 0.000 0.837 103 D CB -0.162 40.472 40.800 -0.276 0.000 0.938 103 D HN 1.130 nan 8.370 nan 0.000 0.508 104 G N 0.630 109.440 108.800 0.018 0.000 2.175 104 G HA2 -0.318 3.690 3.960 0.079 0.000 0.244 104 G HA3 -0.318 3.690 3.960 0.079 0.000 0.244 104 G C 0.781 175.666 174.900 -0.024 0.000 0.982 104 G CA 0.330 45.431 45.100 0.002 0.000 0.641 104 G HN 0.702 nan 8.290 nan 0.000 0.527 105 S N 0.041 115.723 115.700 -0.030 0.000 3.033 105 S HA 0.519 5.037 4.470 0.079 0.000 0.258 105 S C 0.537 175.126 174.600 -0.018 0.000 1.207 105 S CA 0.220 58.400 58.200 -0.034 0.000 1.248 105 S CB 0.527 63.703 63.200 -0.039 0.000 0.932 105 S HN 0.815 nan 8.310 nan 0.000 0.472 106 V N 3.195 123.100 119.914 -0.014 0.000 2.461 106 V HA 0.185 4.353 4.120 0.079 0.000 0.275 106 V C 1.618 177.671 176.094 -0.068 0.000 1.047 106 V CA 0.094 62.389 62.300 -0.009 0.000 0.955 106 V CB 0.911 32.753 31.823 0.033 0.000 0.988 106 V HN 0.757 nan 8.190 nan 0.000 0.471 107 S N 4.024 119.687 115.700 -0.061 0.000 2.442 107 S HA -0.128 4.389 4.470 0.079 0.000 0.236 107 S C 1.664 176.187 174.600 -0.130 0.000 1.007 107 S CA 1.492 59.647 58.200 -0.074 0.000 0.965 107 S CB -0.171 63.006 63.200 -0.040 0.000 0.773 107 S HN 0.609 nan 8.310 nan 0.000 0.504 108 V N 1.268 121.042 119.914 -0.233 0.000 3.041 108 V HA 0.204 4.371 4.120 0.079 0.000 0.260 108 V C 0.273 176.216 176.094 -0.252 0.000 1.105 108 V CA 0.551 62.667 62.300 -0.306 0.000 1.125 108 V CB -0.487 30.960 31.823 -0.627 0.000 0.730 108 V HN 0.429 nan 8.190 nan 0.000 0.479 109 I N 1.644 122.086 120.570 -0.214 0.000 2.325 109 I HA 0.469 4.686 4.170 0.079 0.000 0.291 109 I C -0.205 175.804 176.117 -0.180 0.000 1.019 109 I CA 0.079 61.279 61.300 -0.166 0.000 1.302 109 I CB 0.751 38.685 38.000 -0.111 0.000 1.401 109 I HN 0.338 nan 8.210 nan 0.000 0.485 110 Q N 4.435 124.093 119.800 -0.235 0.000 2.394 110 Q HA 0.617 5.005 4.340 0.079 0.000 0.273 110 Q C -0.965 174.869 176.000 -0.278 0.000 1.089 110 Q CA -0.613 54.966 55.803 -0.373 0.000 0.812 110 Q CB 3.125 31.362 28.738 -0.834 0.000 1.353 110 Q HN 0.396 nan 8.270 nan 0.000 0.438 111 V N 1.351 121.132 119.914 -0.223 0.000 2.384 111 V HA 0.802 4.970 4.120 0.079 0.000 0.287 111 V C -0.637 175.422 176.094 -0.058 0.000 1.020 111 V CA -0.794 61.445 62.300 -0.103 0.000 0.850 111 V CB 1.358 33.151 31.823 -0.050 0.000 0.987 111 V HN 0.848 nan 8.190 nan 0.000 0.436 112 A N 5.028 127.861 122.820 0.021 0.000 2.290 112 A HA 0.785 5.152 4.320 0.079 0.000 0.310 112 A C -0.570 177.070 177.584 0.094 0.000 1.202 112 A CA -0.443 51.675 52.037 0.135 0.000 0.837 112 A CB 1.136 20.270 19.000 0.224 0.000 1.139 112 A HN 0.662 nan 8.150 nan 0.000 0.509 113 V N 4.131 124.098 119.914 0.089 0.000 2.350 113 V HA 0.251 4.419 4.120 0.079 0.000 0.285 113 V C -0.865 175.263 176.094 0.056 0.000 1.014 113 V CA -0.347 61.993 62.300 0.067 0.000 0.831 113 V CB 1.044 32.901 31.823 0.056 0.000 1.000 113 V HN 0.711 nan 8.190 nan 0.000 0.433 114 L N 5.768 127.025 121.223 0.056 0.000 2.268 114 L HA 0.622 5.009 4.340 0.079 0.000 0.289 114 L C 0.172 177.066 176.870 0.040 0.000 1.064 114 L CA 0.886 55.748 54.840 0.037 0.000 0.824 114 L CB 0.395 42.477 42.059 0.038 0.000 1.202 114 L HN 0.711 nan 8.230 nan 0.000 0.433 115 D N -0.086 120.331 120.400 0.028 0.000 3.948 115 D HA 0.121 4.808 4.640 0.079 0.000 0.338 115 D C 0.624 176.933 176.300 0.015 0.000 1.541 115 D CA 0.444 54.468 54.000 0.040 0.000 0.973 115 D CB 1.302 42.164 40.800 0.104 0.000 1.449 115 D HN 0.321 nan 8.370 nan 0.000 0.624 116 T N -0.981 113.589 114.554 0.026 0.000 3.129 116 T HA 0.505 4.902 4.350 0.079 0.000 0.251 116 T C 1.069 175.767 174.700 -0.002 0.000 1.117 116 T CA 1.011 63.114 62.100 0.004 0.000 1.034 116 T CB -0.027 68.847 68.868 0.010 0.000 0.968 116 T HN 0.856 nan 8.240 nan 0.000 0.526 117 G N 0.016 108.817 108.800 0.002 0.000 2.466 117 G HA2 0.157 4.165 3.960 0.079 0.000 0.316 117 G HA3 0.157 4.165 3.960 0.079 0.000 0.316 117 G C -1.188 173.715 174.900 0.006 0.000 1.270 117 G CA -0.462 44.636 45.100 -0.003 0.000 0.982 117 G HN 0.901 nan 8.290 nan 0.000 0.506 118 V N -0.199 119.728 119.914 0.022 0.000 3.007 118 V HA 0.670 4.837 4.120 0.079 0.000 0.311 118 V C -0.862 175.235 176.094 0.005 0.000 1.120 118 V CA -0.104 62.206 62.300 0.016 0.000 0.980 118 V CB 1.972 33.821 31.823 0.042 0.000 1.033 118 V HN 1.056 nan 8.190 nan 0.000 0.429 119 D N 3.789 124.152 120.400 -0.062 0.000 2.455 119 D HA 0.089 4.777 4.640 0.079 0.000 0.234 119 D C 0.914 177.122 176.300 -0.153 0.000 1.224 119 D CA 0.035 53.943 54.000 -0.153 0.000 0.999 119 D CB 0.131 40.870 40.800 -0.102 0.000 1.072 119 D HN 0.627 nan 8.370 nan 0.000 0.514 120 Y N 1.231 121.536 120.300 0.008 0.000 2.403 120 Y HA -0.082 4.513 4.550 0.075 0.000 0.291 120 Y C 1.240 177.160 175.900 0.033 0.000 1.143 120 Y CA 0.992 59.102 58.100 0.017 0.000 1.257 120 Y CB -0.273 38.193 38.460 0.009 0.000 0.984 120 Y HN 0.171 nan 8.280 nan 0.000 0.550 121 D N -0.913 119.344 120.400 -0.239 0.000 2.402 121 D HA -0.006 4.682 4.640 0.079 0.000 0.216 121 D C -0.272 176.001 176.300 -0.046 0.000 1.128 121 D CA -0.473 53.496 54.000 -0.051 0.000 0.833 121 D CB -1.384 39.372 40.800 -0.073 0.000 0.971 121 D HN 0.573 nan 8.370 nan 0.000 0.503 122 H N 1.951 120.937 119.070 -0.141 0.000 3.125 122 H HA 0.027 4.633 4.556 0.084 0.000 0.310 122 H C -1.145 174.149 175.328 -0.056 0.000 0.980 122 H CA -0.809 55.167 56.048 -0.119 0.000 1.422 122 H CB 1.203 30.881 29.762 -0.139 0.000 1.432 122 H HN -0.123 nan 8.280 nan 0.000 0.577 123 P HA -0.156 nan 4.420 nan 0.000 0.222 123 P C 0.585 178.005 177.300 0.200 0.000 1.147 123 P CA 1.143 64.302 63.100 0.098 0.000 0.790 123 P CB 0.411 32.127 31.700 0.025 0.000 0.780 124 D N -1.462 119.194 120.400 0.426 0.000 2.339 124 D HA 0.116 4.804 4.640 0.079 0.000 0.217 124 D C 1.626 177.953 176.300 0.045 0.000 1.050 124 D CA 0.331 54.462 54.000 0.219 0.000 0.856 124 D CB -0.048 40.924 40.800 0.286 0.000 0.922 124 D HN 0.152 nan 8.370 nan 0.000 0.518 125 L N -1.170 120.080 121.223 0.046 0.000 2.730 125 L HA 0.347 4.735 4.340 0.079 0.000 0.236 125 L C 2.256 179.146 176.870 0.034 0.000 1.061 125 L CA 0.365 55.194 54.840 -0.018 0.000 0.898 125 L CB -0.176 41.834 42.059 -0.082 0.000 1.270 125 L HN -0.123 nan 8.230 nan 0.000 0.500 126 A N 1.120 123.984 122.820 0.072 0.000 1.892 126 A HA -0.247 4.121 4.320 0.079 0.000 0.218 126 A C 2.417 180.042 177.584 0.069 0.000 1.188 126 A CA 2.217 54.306 52.037 0.086 0.000 0.631 126 A CB -0.662 18.393 19.000 0.093 0.000 0.822 126 A HN 0.371 nan 8.150 nan 0.000 0.447 127 A N -0.524 122.324 122.820 0.046 0.000 2.070 127 A HA -0.140 4.228 4.320 0.079 0.000 0.220 127 A C 1.703 179.303 177.584 0.026 0.000 1.159 127 A CA 1.668 53.724 52.037 0.032 0.000 0.656 127 A CB -0.460 18.549 19.000 0.015 0.000 0.800 127 A HN 0.540 nan 8.150 nan 0.000 0.453 128 N N -0.196 118.516 118.700 0.020 0.000 2.353 128 N HA 0.092 4.880 4.740 0.079 0.000 0.185 128 N C -0.164 175.375 175.510 0.049 0.000 1.098 128 N CA 0.183 53.241 53.050 0.013 0.000 0.872 128 N CB 0.189 38.664 38.487 -0.020 0.000 0.970 128 N HN 0.253 nan 8.380 nan 0.000 0.467 129 I N 1.507 122.123 120.570 0.077 0.000 2.329 129 I HA 0.101 4.318 4.170 0.079 0.000 0.295 129 I C 1.342 177.555 176.117 0.159 0.000 1.109 129 I CA -0.403 60.970 61.300 0.122 0.000 1.297 129 I CB -0.027 38.051 38.000 0.129 0.000 1.433 129 I HN -0.055 nan 8.210 nan 0.000 0.509 130 A N 6.275 129.232 122.820 0.229 0.000 2.021 130 A HA -0.001 4.366 4.320 0.079 0.000 0.216 130 A C 0.446 178.247 177.584 0.362 0.000 1.163 130 A CA 0.536 52.740 52.037 0.277 0.000 0.676 130 A CB 0.191 19.391 19.000 0.333 0.000 0.818 130 A HN 0.675 nan 8.150 nan 0.000 0.453 131 W N -1.802 119.581 121.300 0.138 0.000 3.615 131 W HA 0.472 5.176 4.660 0.074 0.000 0.319 131 W C -1.843 174.676 176.519 -0.001 0.000 1.172 131 W CA -1.572 55.756 57.345 -0.028 0.000 1.240 131 W CB 0.880 30.147 29.460 -0.323 0.000 1.313 131 W HN -0.018 nan 8.180 nan 0.000 0.487 132 c N 8.484 127.074 118.600 -0.017 0.000 2.291 132 c HA 0.826 5.443 4.570 0.079 0.000 0.322 132 c C -0.391 173.477 174.090 -0.370 0.000 1.205 132 c CA -0.227 56.009 56.329 -0.155 0.000 1.495 132 c CB -1.182 41.292 42.510 -0.060 0.000 2.127 132 c HN 0.395 nan 8.230 nan 0.000 0.452 133 V N 3.827 123.403 119.914 -0.564 0.000 3.001 133 V HA 0.904 5.071 4.120 0.079 0.000 0.314 133 V C -0.193 175.695 176.094 -0.343 0.000 1.099 133 V CA -0.492 61.458 62.300 -0.584 0.000 0.989 133 V CB 1.718 32.935 31.823 -1.010 0.000 1.040 133 V HN 0.736 nan 8.190 nan 0.000 0.434 134 S N 0.287 115.844 115.700 -0.238 0.000 2.536 134 S HA 0.659 5.177 4.470 0.079 0.000 0.287 134 S C 0.320 174.849 174.600 -0.117 0.000 1.101 134 S CA 0.265 58.378 58.200 -0.146 0.000 0.950 134 S CB 2.065 65.210 63.200 -0.091 0.000 1.056 134 S HN 1.414 nan 8.310 nan 0.000 0.481 135 T N 2.049 116.554 114.554 -0.082 0.000 3.132 135 T HA 0.371 4.769 4.350 0.079 0.000 0.274 135 T C 0.447 175.136 174.700 -0.018 0.000 1.011 135 T CA -0.321 61.752 62.100 -0.045 0.000 0.899 135 T CB -0.581 68.268 68.868 -0.032 0.000 1.089 135 T HN 0.522 nan 8.240 nan 0.000 0.543 136 L N 2.345 123.555 121.223 -0.021 0.000 2.525 136 L HA 0.248 4.636 4.340 0.079 0.000 0.278 136 L C 0.788 177.656 176.870 -0.002 0.000 1.218 136 L CA -0.347 54.489 54.840 -0.007 0.000 0.878 136 L CB 0.098 42.150 42.059 -0.011 0.000 1.127 136 L HN 0.317 nan 8.230 nan 0.000 0.492 137 R N 2.040 122.544 120.500 0.007 0.000 3.758 137 R HA -0.224 4.163 4.340 0.079 0.000 0.299 137 R C 0.915 177.219 176.300 0.006 0.000 1.182 137 R CA 0.816 56.920 56.100 0.007 0.000 0.809 137 R CB -2.673 27.628 30.300 0.002 0.000 1.249 137 R HN 1.200 nan 8.270 nan 0.000 0.497 138 G N -0.371 108.435 108.800 0.010 0.000 2.148 138 G HA2 -0.363 3.644 3.960 0.079 0.000 0.254 138 G HA3 -0.363 3.644 3.960 0.079 0.000 0.254 138 G C -0.039 174.863 174.900 0.003 0.000 0.981 138 G CA 0.830 45.936 45.100 0.010 0.000 0.670 138 G HN 0.414 nan 8.290 nan 0.000 0.528 139 K N 0.282 120.681 120.400 -0.001 0.000 2.307 139 K HA 0.556 4.924 4.320 0.079 0.000 0.263 139 K C 0.119 176.714 176.600 -0.010 0.000 0.973 139 K CA -0.823 55.462 56.287 -0.004 0.000 0.846 139 K CB 2.587 35.083 32.500 -0.006 0.000 1.100 139 K HN 0.025 nan 8.250 nan 0.000 0.438 140 V N 2.567 122.479 119.914 -0.002 0.000 2.427 140 V HA 0.143 4.311 4.120 0.079 0.000 0.268 140 V C 0.050 176.140 176.094 -0.007 0.000 1.046 140 V CA -0.087 62.209 62.300 -0.007 0.000 0.970 140 V CB 0.854 32.694 31.823 0.028 0.000 1.001 140 V HN 0.733 nan 8.190 nan 0.000 0.476 141 S N 3.048 118.725 115.700 -0.039 0.000 2.547 141 S HA 0.521 5.039 4.470 0.079 0.000 0.281 141 S C 0.564 175.126 174.600 -0.063 0.000 1.118 141 S CA 0.029 58.208 58.200 -0.034 0.000 0.947 141 S CB 2.009 65.188 63.200 -0.035 0.000 1.053 141 S HN 0.906 nan 8.310 nan 0.000 0.482 142 T N 0.750 115.286 114.554 -0.030 0.000 3.092 142 T HA 0.347 4.745 4.350 0.079 0.000 0.258 142 T C 0.153 174.811 174.700 -0.069 0.000 1.031 142 T CA -0.355 61.717 62.100 -0.047 0.000 0.925 142 T CB -0.325 68.567 68.868 0.040 0.000 1.036 142 T HN 0.560 nan 8.240 nan 0.000 0.544 143 K N 1.351 121.717 120.400 -0.058 0.000 2.489 143 K HA 0.208 4.575 4.320 0.079 0.000 0.278 143 K C 0.952 177.498 176.600 -0.091 0.000 1.000 143 K CA -0.247 56.001 56.287 -0.064 0.000 1.012 143 K CB 0.823 33.300 32.500 -0.038 0.000 0.903 143 K HN 0.145 nan 8.250 nan 0.000 0.485 144 L N 2.964 124.111 121.223 -0.125 0.000 2.083 144 L HA -0.221 4.167 4.340 0.079 0.000 0.209 144 L C 2.516 179.381 176.870 -0.007 0.000 1.083 144 L CA 1.471 56.205 54.840 -0.176 0.000 0.752 144 L CB -0.483 41.410 42.059 -0.277 0.000 0.899 144 L HN 0.677 nan 8.230 nan 0.000 0.433 145 R N -0.573 119.930 120.500 0.005 0.000 2.189 145 R HA -0.116 4.272 4.340 0.079 0.000 0.223 145 R C 1.112 177.420 176.300 0.014 0.000 1.092 145 R CA 1.380 57.497 56.100 0.028 0.000 0.989 145 R CB -0.377 29.932 30.300 0.016 0.000 0.876 145 R HN 0.311 nan 8.270 nan 0.000 0.457 146 D N 1.049 121.444 120.400 -0.009 0.000 2.201 146 D HA -0.060 4.628 4.640 0.079 0.000 0.209 146 D C 1.990 178.276 176.300 -0.023 0.000 0.961 146 D CA 1.304 55.292 54.000 -0.019 0.000 0.861 146 D CB -0.108 40.672 40.800 -0.033 0.000 0.997 146 D HN 0.463 nan 8.370 nan 0.000 0.486 147 c N 0.806 119.388 118.600 -0.030 0.000 2.563 147 c HA 0.628 5.245 4.570 0.079 0.000 0.268 147 c C 1.325 175.441 174.090 0.043 0.000 1.365 147 c CA -0.514 55.795 56.329 -0.033 0.000 1.754 147 c CB -0.925 41.531 42.510 -0.090 0.000 1.932 147 c HN 0.102 nan 8.230 nan 0.000 0.536 148 A N 1.935 124.821 122.820 0.110 0.000 2.477 148 A HA 0.380 4.748 4.320 0.079 0.000 0.246 148 A C -0.060 177.551 177.584 0.045 0.000 1.078 148 A CA 0.157 52.294 52.037 0.166 0.000 0.770 148 A CB -0.004 19.131 19.000 0.224 0.000 1.011 148 A HN 0.583 nan 8.150 nan 0.000 0.494 149 D N 1.405 121.808 120.400 0.005 0.000 2.401 149 D HA 0.104 4.791 4.640 0.079 0.000 0.254 149 D C 0.763 177.027 176.300 -0.060 0.000 1.192 149 D CA 0.563 54.539 54.000 -0.039 0.000 0.885 149 D CB 0.662 41.417 40.800 -0.075 0.000 1.147 149 D HN 0.559 nan 8.370 nan 0.000 0.478 150 Q N 2.588 122.359 119.800 -0.047 0.000 2.247 150 Q HA 0.061 4.449 4.340 0.079 0.000 0.211 150 Q C 0.966 176.932 176.000 -0.057 0.000 0.861 150 Q CA -0.189 55.585 55.803 -0.048 0.000 0.949 150 Q CB 0.691 29.414 28.738 -0.024 0.000 1.115 150 Q HN 0.466 nan 8.270 nan 0.000 0.507 151 N N -0.432 118.227 118.700 -0.069 0.000 2.607 151 N HA -0.010 4.777 4.740 0.079 0.000 0.207 151 N C 1.180 176.600 175.510 -0.150 0.000 1.040 151 N CA 1.560 54.580 53.050 -0.051 0.000 0.947 151 N CB 1.132 39.616 38.487 -0.005 0.000 1.293 151 N HN 0.233 nan 8.380 nan 0.000 0.446 152 G N 0.223 108.884 108.800 -0.232 0.000 2.380 152 G HA2 -0.208 3.800 3.960 0.079 0.000 0.197 152 G HA3 -0.208 3.800 3.960 0.079 0.000 0.197 152 G C 0.904 175.714 174.900 -0.151 0.000 1.001 152 G CA 0.403 45.145 45.100 -0.596 0.000 0.668 152 G HN 0.520 nan 8.290 nan 0.000 0.483 153 H N 1.282 120.334 119.070 -0.031 0.000 2.293 153 H HA -0.086 4.509 4.556 0.064 0.000 0.300 153 H C 2.767 178.134 175.328 0.065 0.000 1.082 153 H CA 2.854 58.941 56.048 0.065 0.000 1.308 153 H CB -0.593 29.190 29.762 0.036 0.000 1.375 153 H HN 0.425 nan 8.280 nan 0.000 0.495 154 G N -0.434 108.478 108.800 0.188 0.000 2.446 154 G HA2 -0.282 3.726 3.960 0.079 0.000 0.217 154 G HA3 -0.282 3.726 3.960 0.079 0.000 0.217 154 G C 1.821 176.745 174.900 0.041 0.000 1.168 154 G CA 1.484 46.650 45.100 0.108 0.000 0.771 154 G HN 0.419 nan 8.290 nan 0.000 0.551 155 T N -0.253 114.296 114.554 -0.007 0.000 2.699 155 T HA -0.173 4.224 4.350 0.079 0.000 0.268 155 T C 2.024 176.714 174.700 -0.017 0.000 1.036 155 T CA 1.436 63.506 62.100 -0.049 0.000 1.147 155 T CB -0.383 68.415 68.868 -0.118 0.000 0.862 155 T HN 0.423 nan 8.240 nan 0.000 0.446 156 H N 0.417 119.471 119.070 -0.027 0.000 2.333 156 H HA 0.018 4.618 4.556 0.073 0.000 0.302 156 H C 2.320 177.610 175.328 -0.064 0.000 1.075 156 H CA 1.289 57.340 56.048 0.005 0.000 1.348 156 H CB -0.313 29.499 29.762 0.084 0.000 1.393 156 H HN 0.162 nan 8.280 nan 0.000 0.509 157 V N 1.359 121.307 119.914 0.057 0.000 2.295 157 V HA -0.257 3.910 4.120 0.079 0.000 0.246 157 V C 2.861 178.930 176.094 -0.042 0.000 1.049 157 V CA 1.803 64.107 62.300 0.006 0.000 1.024 157 V CB -0.532 31.316 31.823 0.042 0.000 0.648 157 V HN 0.331 nan 8.190 nan 0.000 0.447 158 I N 0.570 121.119 120.570 -0.035 0.000 2.226 158 I HA -0.176 4.041 4.170 0.079 0.000 0.245 158 I C 2.582 178.636 176.117 -0.105 0.000 1.100 158 I CA 1.669 62.937 61.300 -0.053 0.000 1.374 158 I CB -0.881 37.098 38.000 -0.035 0.000 1.057 158 I HN 0.411 nan 8.210 nan 0.000 0.413 159 G N -0.059 108.650 108.800 -0.152 0.000 2.442 159 G HA2 -0.237 3.771 3.960 0.079 0.000 0.219 159 G HA3 -0.237 3.771 3.960 0.079 0.000 0.219 159 G C 1.653 176.439 174.900 -0.190 0.000 1.141 159 G CA 1.466 46.451 45.100 -0.192 0.000 0.763 159 G HN 0.290 nan 8.290 nan 0.000 0.554 160 T N 1.018 115.437 114.554 -0.226 0.000 2.904 160 T HA 0.031 4.429 4.350 0.079 0.000 0.267 160 T C 2.380 176.941 174.700 -0.231 0.000 1.059 160 T CA 0.762 62.690 62.100 -0.286 0.000 1.137 160 T CB -0.071 68.573 68.868 -0.373 0.000 0.879 160 T HN 0.279 nan 8.240 nan 0.000 0.467 161 I N 0.636 121.114 120.570 -0.155 0.000 2.233 161 I HA 0.027 4.245 4.170 0.079 0.000 0.243 161 I C 2.029 178.095 176.117 -0.086 0.000 1.093 161 I CA 1.079 62.320 61.300 -0.098 0.000 1.380 161 I CB -0.027 37.937 38.000 -0.060 0.000 1.067 161 I HN 0.156 nan 8.210 nan 0.000 0.413 162 A N 0.147 122.907 122.820 -0.100 0.000 2.569 162 A HA 0.657 5.025 4.320 0.079 0.000 0.284 162 A C 0.554 178.070 177.584 -0.113 0.000 0.948 162 A CA -0.193 51.783 52.037 -0.101 0.000 1.007 162 A CB -0.249 18.705 19.000 -0.077 0.000 1.232 162 A HN 0.143 nan 8.150 nan 0.000 0.530 163 A N 0.460 123.209 122.820 -0.119 0.000 2.511 163 A HA 0.499 4.867 4.320 0.079 0.000 0.242 163 A C 0.306 177.821 177.584 -0.116 0.000 1.069 163 A CA 0.133 52.108 52.037 -0.104 0.000 0.763 163 A CB -0.213 18.739 19.000 -0.080 0.000 1.001 163 A HN 0.580 nan 8.150 nan 0.000 0.498 164 L N 1.922 123.093 121.223 -0.086 0.000 2.456 164 L HA 0.067 4.455 4.340 0.079 0.000 0.272 164 L C 0.880 177.673 176.870 -0.127 0.000 1.189 164 L CA -0.280 54.495 54.840 -0.108 0.000 0.846 164 L CB 0.202 42.229 42.059 -0.053 0.000 1.111 164 L HN 0.774 nan 8.230 nan 0.000 0.475 165 N N 2.898 121.479 118.700 -0.198 0.000 2.415 165 N HA 0.174 4.962 4.740 0.079 0.000 0.246 165 N C -0.858 174.598 175.510 -0.089 0.000 1.078 165 N CA -0.163 52.779 53.050 -0.181 0.000 0.942 165 N CB -0.060 38.232 38.487 -0.326 0.000 1.140 165 N HN 0.765 nan 8.380 nan 0.000 0.501 166 N N 1.371 120.046 118.700 -0.041 0.000 3.635 166 N HA 0.245 5.033 4.740 0.079 0.000 0.347 166 N C -0.625 174.885 175.510 0.002 0.000 1.596 166 N CA -0.421 52.621 53.050 -0.014 0.000 0.778 166 N CB 0.208 38.691 38.487 -0.007 0.000 2.436 166 N HN 0.026 nan 8.380 nan 0.000 0.569 167 D N -0.292 120.113 120.400 0.009 0.000 2.339 167 D HA 0.254 4.941 4.640 0.079 0.000 0.217 167 D C 0.237 176.542 176.300 0.007 0.000 1.050 167 D CA 0.326 54.332 54.000 0.010 0.000 0.856 167 D CB 0.362 41.169 40.800 0.012 0.000 0.922 167 D HN 0.581 nan 8.370 nan 0.000 0.518 168 I N -4.226 116.353 120.570 0.015 0.000 2.892 168 I HA 0.695 4.913 4.170 0.079 0.000 0.306 168 I C 0.947 177.055 176.117 -0.015 0.000 1.078 168 I CA -0.767 60.541 61.300 0.014 0.000 1.032 168 I CB 2.392 40.436 38.000 0.074 0.000 1.229 168 I HN 0.024 nan 8.210 nan 0.000 0.435 169 G N 2.963 111.671 108.800 -0.154 0.000 2.523 169 G HA2 -0.143 3.864 3.960 0.079 0.000 0.271 169 G HA3 -0.143 3.864 3.960 0.079 0.000 0.271 169 G C -0.002 174.714 174.900 -0.307 0.000 1.146 169 G CA 0.712 45.554 45.100 -0.430 0.000 0.961 169 G HN 1.739 nan 8.290 nan 0.000 0.549 170 V N -2.930 116.927 119.914 -0.095 0.000 3.344 170 V HA 0.960 5.128 4.120 0.079 0.000 0.301 170 V C 0.148 176.235 176.094 -0.012 0.000 1.286 170 V CA 0.031 62.303 62.300 -0.046 0.000 1.028 170 V CB 1.173 32.987 31.823 -0.016 0.000 1.223 170 V HN 2.249 nan 8.190 nan 0.000 0.478 171 V N -0.387 119.524 119.914 -0.005 0.000 2.891 171 V HA 0.833 5.001 4.120 0.079 0.000 0.304 171 V C 0.310 176.394 176.094 -0.016 0.000 1.171 171 V CA 0.504 62.788 62.300 -0.027 0.000 0.943 171 V CB 1.524 33.355 31.823 0.013 0.000 1.037 171 V HN 1.542 nan 8.190 nan 0.000 0.427 172 G N 3.284 112.034 108.800 -0.083 0.000 2.580 172 G HA2 0.429 4.437 3.960 0.079 0.000 0.278 172 G HA3 0.429 4.437 3.960 0.079 0.000 0.278 172 G C 0.932 175.870 174.900 0.064 0.000 1.212 172 G CA 0.257 45.319 45.100 -0.065 0.000 0.939 172 G HN 0.862 nan 8.290 nan 0.000 0.513 173 V N 0.553 120.509 119.914 0.070 0.000 2.427 173 V HA 0.059 4.227 4.120 0.079 0.000 0.248 173 V C 1.902 178.177 176.094 0.302 0.000 1.051 173 V CA 2.188 64.617 62.300 0.216 0.000 1.048 173 V CB -0.395 31.485 31.823 0.095 0.000 0.666 173 V HN 0.834 nan 8.190 nan 0.000 0.456 174 A N 0.347 123.213 122.820 0.077 0.000 2.978 174 A HA 0.546 4.913 4.320 0.079 0.000 0.341 174 A C -1.697 175.786 177.584 -0.169 0.000 1.105 174 A CA -0.951 51.083 52.037 -0.005 0.000 0.819 174 A CB 0.474 19.487 19.000 0.021 0.000 1.080 174 A HN 0.298 nan 8.150 nan 0.000 0.476 175 P HA 0.007 nan 4.420 nan 0.000 0.242 175 P C 1.035 178.167 177.300 -0.279 0.000 1.197 175 P CA 1.308 64.182 63.100 -0.377 0.000 0.765 175 P CB 0.291 31.602 31.700 -0.647 0.000 0.936 176 G N -0.566 108.088 108.800 -0.243 0.000 3.324 176 G HA2 0.137 4.145 3.960 0.079 0.000 0.251 176 G HA3 0.137 4.145 3.960 0.079 0.000 0.251 176 G C 0.023 174.865 174.900 -0.098 0.000 1.072 176 G CA 0.064 45.072 45.100 -0.153 0.000 0.787 176 G HN 0.204 nan 8.290 nan 0.000 0.537 177 V N 0.853 120.711 119.914 -0.093 0.000 2.649 177 V HA 0.286 4.454 4.120 0.079 0.000 0.292 177 V C 0.033 176.088 176.094 -0.066 0.000 1.055 177 V CA -0.586 61.671 62.300 -0.071 0.000 1.023 177 V CB 1.428 33.214 31.823 -0.061 0.000 0.992 177 V HN 0.392 nan 8.190 nan 0.000 0.480 178 Q N 5.113 124.870 119.800 -0.072 0.000 2.332 178 Q HA 0.368 4.756 4.340 0.079 0.000 0.263 178 Q C -0.749 175.202 176.000 -0.081 0.000 0.979 178 Q CA -0.049 55.719 55.803 -0.058 0.000 0.885 178 Q CB 1.134 29.828 28.738 -0.074 0.000 1.218 178 Q HN 0.520 nan 8.270 nan 0.000 0.405 179 I N 2.794 123.365 120.570 0.002 0.000 2.474 179 I HA 0.238 4.455 4.170 0.079 0.000 0.294 179 I C -0.921 175.341 176.117 0.243 0.000 1.005 179 I CA -0.797 60.528 61.300 0.041 0.000 1.113 179 I CB 1.129 39.157 38.000 0.048 0.000 1.289 179 I HN 0.535 nan 8.210 nan 0.000 0.436 180 Y N 3.295 123.660 120.300 0.109 0.000 2.353 180 Y HA 0.245 4.838 4.550 0.072 0.000 0.340 180 Y C 0.850 176.765 175.900 0.024 0.000 0.972 180 Y CA -1.167 57.019 58.100 0.143 0.000 1.157 180 Y CB 1.531 40.136 38.460 0.242 0.000 1.157 180 Y HN 0.421 nan 8.280 nan 0.000 0.495 181 S N 3.695 119.464 115.700 0.115 0.000 2.411 181 S HA 0.510 5.028 4.470 0.079 0.000 0.294 181 S C -0.754 173.773 174.600 -0.122 0.000 1.115 181 S CA -0.505 57.700 58.200 0.010 0.000 1.071 181 S CB -0.244 62.964 63.200 0.013 0.000 0.967 181 S HN 0.352 nan 8.310 nan 0.000 0.488 182 V N 7.331 127.186 119.914 -0.098 0.000 2.275 182 V HA 0.392 4.559 4.120 0.079 0.000 0.272 182 V C 0.419 176.452 176.094 -0.101 0.000 1.028 182 V CA -0.834 61.360 62.300 -0.177 0.000 0.810 182 V CB 0.571 32.312 31.823 -0.137 0.000 1.043 182 V HN 0.828 nan 8.190 nan 0.000 0.453 183 R N 3.881 124.314 120.500 -0.112 0.000 2.296 183 R HA 0.336 4.724 4.340 0.079 0.000 0.323 183 R C 0.597 176.866 176.300 -0.051 0.000 1.067 183 R CA 0.107 56.170 56.100 -0.062 0.000 0.946 183 R CB 0.969 31.237 30.300 -0.053 0.000 0.991 183 R HN 0.637 nan 8.270 nan 0.000 0.448 184 V N 2.568 122.467 119.914 -0.025 0.000 3.432 184 V HA 0.353 4.521 4.120 0.079 0.000 0.298 184 V C -0.119 175.976 176.094 0.003 0.000 1.464 184 V CA -0.253 62.043 62.300 -0.008 0.000 1.046 184 V CB -0.088 31.738 31.823 0.004 0.000 0.887 184 V HN 0.482 nan 8.190 nan 0.000 0.441 185 L N 2.062 123.281 121.223 -0.007 0.000 2.381 185 L HA 0.643 5.031 4.340 0.079 0.000 0.268 185 L C -0.332 176.532 176.870 -0.012 0.000 0.997 185 L CA -0.785 54.050 54.840 -0.008 0.000 0.818 185 L CB 2.139 44.184 42.059 -0.023 0.000 1.310 185 L HN 0.286 nan 8.230 nan 0.000 0.416 186 D N 1.687 122.082 120.400 -0.009 0.000 2.425 186 D HA 0.194 4.881 4.640 0.079 0.000 0.274 186 D C 1.130 177.423 176.300 -0.012 0.000 1.242 186 D CA 0.051 54.045 54.000 -0.009 0.000 1.060 186 D CB 0.615 41.412 40.800 -0.005 0.000 1.112 186 D HN 0.508 nan 8.370 nan 0.000 0.561 187 A N -0.632 122.182 122.820 -0.010 0.000 1.978 187 A HA -0.186 4.182 4.320 0.079 0.000 0.220 187 A C 2.090 179.669 177.584 -0.008 0.000 1.170 187 A CA 1.362 53.392 52.037 -0.011 0.000 0.636 187 A CB -0.627 18.368 19.000 -0.008 0.000 0.810 187 A HN 0.543 nan 8.150 nan 0.000 0.448 188 R N -1.388 119.107 120.500 -0.008 0.000 2.334 188 R HA 0.265 4.652 4.340 0.079 0.000 0.220 188 R C 1.099 177.388 176.300 -0.019 0.000 0.917 188 R CA 0.451 56.546 56.100 -0.008 0.000 1.073 188 R CB -0.055 30.242 30.300 -0.006 0.000 1.056 188 R HN 0.640 nan 8.270 nan 0.000 0.506 189 G N 1.144 109.928 108.800 -0.027 0.000 2.160 189 G HA2 -0.298 3.709 3.960 0.079 0.000 0.251 189 G HA3 -0.298 3.709 3.960 0.079 0.000 0.251 189 G C -0.032 174.848 174.900 -0.033 0.000 1.008 189 G CA 0.554 45.624 45.100 -0.050 0.000 0.724 189 G HN 0.350 nan 8.290 nan 0.000 0.514 190 S N -0.721 114.970 115.700 -0.015 0.000 2.565 190 S HA 0.898 5.416 4.470 0.079 0.000 0.290 190 S C 0.549 175.156 174.600 0.011 0.000 1.150 190 S CA 0.833 59.033 58.200 -0.000 0.000 1.058 190 S CB 1.631 64.831 63.200 -0.000 0.000 1.032 190 S HN 1.758 nan 8.310 nan 0.000 0.510 191 G N 1.189 110.008 108.800 0.033 0.000 2.606 191 G HA2 0.596 4.604 3.960 0.079 0.000 0.300 191 G HA3 0.596 4.604 3.960 0.079 0.000 0.300 191 G C -1.233 173.716 174.900 0.082 0.000 1.360 191 G CA -0.302 44.828 45.100 0.049 0.000 0.783 191 G HN 1.128 nan 8.290 nan 0.000 0.484 192 S N -1.515 114.250 115.700 0.108 0.000 2.600 192 S HA 0.493 5.011 4.470 0.079 0.000 0.300 192 S C 0.551 175.320 174.600 0.282 0.000 1.087 192 S CA -0.728 57.566 58.200 0.157 0.000 0.965 192 S CB 1.602 64.864 63.200 0.103 0.000 1.089 192 S HN 0.599 nan 8.310 nan 0.000 0.496 193 Y N 1.343 121.693 120.300 0.082 0.000 2.151 193 Y HA -0.249 4.354 4.550 0.089 0.000 0.284 193 Y C 3.169 179.193 175.900 0.207 0.000 1.166 193 Y CA 1.324 59.487 58.100 0.104 0.000 1.163 193 Y CB -0.213 38.303 38.460 0.094 0.000 0.974 193 Y HN 0.908 nan 8.280 nan 0.000 0.511 194 S N -0.244 115.704 115.700 0.413 0.000 2.368 194 S HA -0.204 4.314 4.470 0.079 0.000 0.225 194 S C 1.412 176.128 174.600 0.193 0.000 1.030 194 S CA 1.618 60.006 58.200 0.313 0.000 0.999 194 S CB -0.443 62.843 63.200 0.142 0.000 0.844 194 S HN 0.371 nan 8.310 nan 0.000 0.459 195 D N 1.670 122.157 120.400 0.144 0.000 2.178 195 D HA 0.111 4.798 4.640 0.079 0.000 0.202 195 D C 1.882 178.229 176.300 0.077 0.000 0.974 195 D CA 0.815 54.866 54.000 0.085 0.000 0.841 195 D CB -0.364 40.472 40.800 0.061 0.000 0.953 195 D HN 0.471 nan 8.370 nan 0.000 0.478 196 I N 0.993 121.618 120.570 0.093 0.000 2.252 196 I HA -0.209 4.009 4.170 0.079 0.000 0.245 196 I C 2.433 178.584 176.117 0.056 0.000 1.102 196 I CA 0.891 62.221 61.300 0.050 0.000 1.385 196 I CB -0.174 37.831 38.000 0.007 0.000 1.064 196 I HN -0.080 nan 8.210 nan 0.000 0.414 197 A N 1.128 124.010 122.820 0.104 0.000 1.902 197 A HA -0.156 4.211 4.320 0.079 0.000 0.217 197 A C 2.291 179.943 177.584 0.114 0.000 1.181 197 A CA 1.454 53.571 52.037 0.133 0.000 0.623 197 A CB -0.819 18.367 19.000 0.310 0.000 0.818 197 A HN 0.378 nan 8.150 nan 0.000 0.443 198 I N -0.238 120.394 120.570 0.104 0.000 2.286 198 I HA -0.200 4.017 4.170 0.079 0.000 0.248 198 I C 2.659 178.806 176.117 0.051 0.000 1.115 198 I CA 1.058 62.400 61.300 0.070 0.000 1.392 198 I CB -0.603 37.428 38.000 0.051 0.000 1.065 198 I HN 0.397 nan 8.210 nan 0.000 0.418 199 G N 1.272 110.095 108.800 0.038 0.000 2.418 199 G HA2 -0.188 3.819 3.960 0.079 0.000 0.217 199 G HA3 -0.188 3.819 3.960 0.079 0.000 0.217 199 G C 1.690 176.618 174.900 0.046 0.000 1.158 199 G CA 0.608 45.716 45.100 0.014 0.000 0.771 199 G HN 0.317 nan 8.290 nan 0.000 0.545 200 I N 0.441 121.048 120.570 0.061 0.000 2.179 200 I HA -0.144 4.073 4.170 0.079 0.000 0.242 200 I C 2.633 178.805 176.117 0.093 0.000 1.088 200 I CA 1.566 62.912 61.300 0.078 0.000 1.357 200 I CB -0.248 37.794 38.000 0.069 0.000 1.051 200 I HN 0.290 nan 8.210 nan 0.000 0.409 201 E N 0.642 120.894 120.200 0.087 0.000 2.058 201 E HA -0.275 4.123 4.350 0.079 0.000 0.194 201 E C 2.257 178.929 176.600 0.120 0.000 0.997 201 E CA 1.257 57.712 56.400 0.091 0.000 0.801 201 E CB 0.090 29.837 29.700 0.079 0.000 0.746 201 E HN 0.369 nan 8.360 nan 0.000 0.450 202 Q N -0.037 119.840 119.800 0.128 0.000 2.096 202 Q HA -0.173 4.215 4.340 0.079 0.000 0.204 202 Q C 2.165 178.356 176.000 0.319 0.000 0.982 202 Q CA 1.512 57.442 55.803 0.213 0.000 0.850 202 Q CB -0.538 28.260 28.738 0.100 0.000 0.901 202 Q HN 0.419 nan 8.270 nan 0.000 0.422 203 A N 0.469 123.436 122.820 0.245 0.000 1.972 203 A HA -0.132 4.236 4.320 0.079 0.000 0.219 203 A C 2.124 179.875 177.584 0.279 0.000 1.169 203 A CA 1.077 53.309 52.037 0.325 0.000 0.635 203 A CB -0.502 18.636 19.000 0.231 0.000 0.810 203 A HN 0.329 nan 8.150 nan 0.000 0.446 204 I N -0.767 119.914 120.570 0.185 0.000 2.339 204 I HA -0.142 4.076 4.170 0.079 0.000 0.245 204 I C 2.216 178.401 176.117 0.114 0.000 1.096 204 I CA 0.726 62.105 61.300 0.131 0.000 1.408 204 I CB -0.368 37.687 38.000 0.091 0.000 1.092 204 I HN 0.228 nan 8.210 nan 0.000 0.423 205 L N 0.850 122.140 121.223 0.112 0.000 2.083 205 L HA 0.003 4.390 4.340 0.079 0.000 0.209 205 L C 1.392 178.264 176.870 0.003 0.000 1.083 205 L CA 0.818 55.695 54.840 0.062 0.000 0.752 205 L CB -1.332 40.768 42.059 0.069 0.000 0.899 205 L HN 0.499 nan 8.230 nan 0.000 0.433 206 G N -0.368 108.448 108.800 0.026 0.000 2.877 206 G HA2 -0.235 3.772 3.960 0.079 0.000 0.279 206 G HA3 -0.235 3.772 3.960 0.079 0.000 0.279 206 G C -2.041 172.372 174.900 -0.812 0.000 1.431 206 G CA -0.256 44.664 45.100 -0.300 0.000 0.883 206 G HN 0.087 nan 8.290 nan 0.000 0.547 207 P HA 0.005 nan 4.420 nan 0.000 0.221 207 P C 1.281 178.259 177.300 -0.537 0.000 1.145 207 P CA 1.837 64.132 63.100 -1.341 0.000 0.795 207 P CB -0.097 30.800 31.700 -1.339 0.000 0.775 208 D N -1.554 118.631 120.400 -0.358 0.000 2.363 208 D HA 0.039 4.727 4.640 0.079 0.000 0.220 208 D C 1.480 177.707 176.300 -0.120 0.000 0.994 208 D CA 0.817 54.703 54.000 -0.190 0.000 0.890 208 D CB -1.147 39.571 40.800 -0.137 0.000 0.906 208 D HN 0.196 nan 8.370 nan 0.000 0.530 209 G N -0.812 107.919 108.800 -0.115 0.000 2.148 209 G HA2 -0.209 3.799 3.960 0.079 0.000 0.254 209 G HA3 -0.209 3.799 3.960 0.079 0.000 0.254 209 G C -0.044 174.845 174.900 -0.019 0.000 0.981 209 G CA 0.368 45.445 45.100 -0.038 0.000 0.670 209 G HN 0.467 nan 8.290 nan 0.000 0.528 210 V N -0.242 119.654 119.914 -0.030 0.000 2.577 210 V HA 0.718 4.885 4.120 0.079 0.000 0.303 210 V C 1.105 177.194 176.094 -0.007 0.000 1.042 210 V CA 0.018 62.309 62.300 -0.015 0.000 0.872 210 V CB 1.240 33.050 31.823 -0.021 0.000 0.998 210 V HN 0.718 nan 8.190 nan 0.000 0.423 211 A N 3.064 125.888 122.820 0.008 0.000 1.873 211 A HA -0.030 4.338 4.320 0.079 0.000 0.215 211 A C 1.023 178.612 177.584 0.010 0.000 1.186 211 A CA 1.838 53.885 52.037 0.016 0.000 0.616 211 A CB -0.099 18.915 19.000 0.023 0.000 0.823 211 A HN 0.796 nan 8.150 nan 0.000 0.442 212 D N -1.439 118.964 120.400 0.005 0.000 2.443 212 D HA 0.277 4.965 4.640 0.079 0.000 0.281 212 D C 0.741 177.041 176.300 -0.000 0.000 1.210 212 D CA -0.331 53.672 54.000 0.004 0.000 0.875 212 D CB 0.303 41.106 40.800 0.006 0.000 1.125 212 D HN 0.154 nan 8.370 nan 0.000 0.503 213 K N 0.492 120.889 120.400 -0.005 0.000 2.074 213 K HA -0.154 4.213 4.320 0.079 0.000 0.209 213 K C 0.841 177.439 176.600 -0.004 0.000 1.048 213 K CA 1.674 57.956 56.287 -0.008 0.000 0.926 213 K CB 0.241 32.733 32.500 -0.014 0.000 0.713 213 K HN 0.437 nan 8.250 nan 0.000 0.444 214 D N -1.393 119.007 120.400 -0.001 0.000 2.339 214 D HA 0.027 4.714 4.640 0.079 0.000 0.217 214 D C 0.897 177.199 176.300 0.003 0.000 1.050 214 D CA 0.634 54.635 54.000 0.002 0.000 0.856 214 D CB -0.006 40.797 40.800 0.005 0.000 0.922 214 D HN 0.250 nan 8.370 nan 0.000 0.518 215 G N 1.921 110.723 108.800 0.003 0.000 2.225 215 G HA2 -0.326 3.681 3.960 0.079 0.000 0.267 215 G HA3 -0.326 3.681 3.960 0.079 0.000 0.267 215 G C 0.389 175.292 174.900 0.005 0.000 1.024 215 G CA 0.658 45.760 45.100 0.004 0.000 0.784 215 G HN 0.562 nan 8.290 nan 0.000 0.507 216 D N -1.185 119.220 120.400 0.007 0.000 2.339 216 D HA 0.362 5.050 4.640 0.079 0.000 0.217 216 D C 1.877 178.182 176.300 0.009 0.000 1.050 216 D CA 0.514 54.519 54.000 0.009 0.000 0.856 216 D CB -0.498 40.310 40.800 0.012 0.000 0.922 216 D HN 1.431 nan 8.370 nan 0.000 0.518 217 G N 0.349 109.153 108.800 0.007 0.000 2.189 217 G HA2 -0.300 3.708 3.960 0.079 0.000 0.267 217 G HA3 -0.300 3.708 3.960 0.079 0.000 0.267 217 G C 0.123 175.027 174.900 0.006 0.000 0.975 217 G CA 0.383 45.486 45.100 0.005 0.000 0.644 217 G HN 0.471 nan 8.290 nan 0.000 0.537 218 I N 0.588 121.165 120.570 0.011 0.000 2.315 218 I HA 0.494 4.711 4.170 0.079 0.000 0.291 218 I C 1.297 177.423 176.117 0.014 0.000 1.006 218 I CA -0.760 60.549 61.300 0.016 0.000 1.265 218 I CB 1.096 39.114 38.000 0.030 0.000 1.387 218 I HN 0.017 nan 8.210 nan 0.000 0.475 219 I N 3.796 124.372 120.570 0.009 0.000 3.818 219 I HA 0.273 4.491 4.170 0.079 0.000 0.242 219 I C 1.243 177.364 176.117 0.007 0.000 1.111 219 I CA -0.035 61.270 61.300 0.010 0.000 1.576 219 I CB -0.014 37.993 38.000 0.011 0.000 1.572 219 I HN 0.569 nan 8.210 nan 0.000 0.450 220 A N 1.011 123.832 122.820 0.001 0.000 2.511 220 A HA 0.396 4.764 4.320 0.079 0.000 0.242 220 A C 1.186 178.771 177.584 0.001 0.000 1.069 220 A CA 0.743 52.776 52.037 -0.007 0.000 0.763 220 A CB -0.523 18.467 19.000 -0.015 0.000 1.001 220 A HN 0.939 nan 8.150 nan 0.000 0.498 221 G N 1.315 110.103 108.800 -0.020 0.000 2.179 221 G HA2 -0.214 3.793 3.960 0.079 0.000 0.260 221 G HA3 -0.214 3.793 3.960 0.079 0.000 0.260 221 G C 0.046 174.975 174.900 0.049 0.000 0.977 221 G CA 0.480 45.586 45.100 0.009 0.000 0.641 221 G HN 1.022 nan 8.290 nan 0.000 0.533 222 D N 0.797 121.208 120.400 0.018 0.000 2.359 222 D HA 0.429 5.117 4.640 0.079 0.000 0.230 222 D C -0.517 175.783 176.300 -0.001 0.000 1.118 222 D CA -1.963 52.060 54.000 0.039 0.000 0.844 222 D CB 1.565 42.382 40.800 0.028 0.000 1.059 222 D HN 0.143 nan 8.370 nan 0.000 0.493 223 P HA -0.027 nan 4.420 nan 0.000 0.230 223 P C 0.320 177.618 177.300 -0.004 0.000 1.158 223 P CA 0.558 63.650 63.100 -0.013 0.000 0.769 223 P CB 0.639 32.373 31.700 0.056 0.000 0.807 224 D N -0.699 119.706 120.400 0.008 0.000 2.350 224 D HA 0.046 4.734 4.640 0.079 0.000 0.213 224 D C 0.425 176.719 176.300 -0.009 0.000 1.031 224 D CA 0.514 54.514 54.000 0.001 0.000 0.861 224 D CB 0.415 41.220 40.800 0.009 0.000 0.926 224 D HN 0.224 nan 8.370 nan 0.000 0.520 225 D N 0.711 121.105 120.400 -0.009 0.000 2.385 225 D HA 0.107 4.795 4.640 0.079 0.000 0.254 225 D C 0.312 176.603 176.300 -0.015 0.000 1.053 225 D CA -0.233 53.760 54.000 -0.013 0.000 0.992 225 D CB 1.619 42.418 40.800 -0.002 0.000 1.145 225 D HN -0.022 nan 8.370 nan 0.000 0.523 226 D N -1.509 118.887 120.400 -0.007 0.000 2.571 226 D HA 0.250 4.938 4.640 0.079 0.000 0.239 226 D C 0.050 176.422 176.300 0.119 0.000 1.267 226 D CA -0.502 53.513 54.000 0.026 0.000 0.823 226 D CB -0.143 40.638 40.800 -0.031 0.000 1.056 226 D HN 0.279 nan 8.370 nan 0.000 0.494 227 A N 0.538 123.407 122.820 0.082 0.000 2.445 227 A HA 0.581 4.949 4.320 0.079 0.000 0.242 227 A C 0.839 178.485 177.584 0.104 0.000 1.075 227 A CA -0.060 52.054 52.037 0.127 0.000 0.777 227 A CB 0.228 19.268 19.000 0.068 0.000 1.013 227 A HN 0.445 nan 8.150 nan 0.000 0.493 228 A N 1.099 124.007 122.820 0.148 0.000 2.425 228 A HA 0.443 4.811 4.320 0.079 0.000 0.242 228 A C 0.617 178.193 177.584 -0.013 0.000 1.077 228 A CA 0.159 52.187 52.037 -0.014 0.000 0.781 228 A CB 0.031 19.067 19.000 0.060 0.000 1.020 228 A HN 0.857 nan 8.150 nan 0.000 0.494 229 E N -0.466 119.701 120.200 -0.054 0.000 2.431 229 E HA 0.238 4.636 4.350 0.079 0.000 0.200 229 E C -0.465 176.130 176.600 -0.009 0.000 0.995 229 E CA 0.562 56.942 56.400 -0.033 0.000 0.915 229 E CB 0.695 30.364 29.700 -0.051 0.000 0.930 229 E HN 0.367 nan 8.360 nan 0.000 0.496 230 V N 1.085 120.995 119.914 -0.006 0.000 2.841 230 V HA 0.441 4.608 4.120 0.079 0.000 0.310 230 V C -0.658 175.462 176.094 0.042 0.000 1.090 230 V CA -0.761 61.552 62.300 0.022 0.000 0.930 230 V CB 2.327 34.160 31.823 0.016 0.000 1.014 230 V HN -0.029 nan 8.190 nan 0.000 0.425 231 I N 2.438 123.049 120.570 0.068 0.000 2.418 231 I HA 0.440 4.658 4.170 0.079 0.000 0.287 231 I C -0.122 176.045 176.117 0.083 0.000 1.008 231 I CA -0.146 61.203 61.300 0.082 0.000 1.104 231 I CB 2.068 40.126 38.000 0.096 0.000 1.264 231 I HN 0.587 nan 8.210 nan 0.000 0.438 232 S N 7.794 123.541 115.700 0.078 0.000 2.448 232 S HA 0.594 5.112 4.470 0.079 0.000 0.320 232 S C -0.437 174.214 174.600 0.084 0.000 1.071 232 S CA -0.623 57.626 58.200 0.080 0.000 1.113 232 S CB 0.401 63.642 63.200 0.069 0.000 0.972 232 S HN 0.451 nan 8.310 nan 0.000 0.465 233 M N 3.680 123.333 119.600 0.088 0.000 2.167 233 M HA 0.296 4.824 4.480 0.079 0.000 0.333 233 M C -0.190 176.159 176.300 0.082 0.000 1.030 233 M CA -0.371 54.977 55.300 0.080 0.000 0.963 233 M CB 1.759 34.406 32.600 0.079 0.000 1.589 233 M HN 0.452 nan 8.290 nan 0.000 0.431 234 S N 4.463 120.208 115.700 0.075 0.000 2.738 234 S HA 0.423 4.940 4.470 0.079 0.000 0.227 234 S C -0.385 174.218 174.600 0.005 0.000 1.311 234 S CA -0.548 57.698 58.200 0.076 0.000 1.249 234 S CB -0.259 63.017 63.200 0.126 0.000 1.030 234 S HN 0.443 nan 8.310 nan 0.000 0.512 235 L N 1.311 122.547 121.223 0.021 0.000 2.341 235 L HA 0.828 5.216 4.340 0.079 0.000 0.267 235 L C 0.405 177.287 176.870 0.019 0.000 1.009 235 L CA -0.293 54.553 54.840 0.010 0.000 0.819 235 L CB 1.453 43.520 42.059 0.013 0.000 1.323 235 L HN 0.399 nan 8.230 nan 0.000 0.425 236 G N -0.273 108.540 108.800 0.021 0.000 2.687 236 G HA2 0.738 4.746 3.960 0.079 0.000 0.301 236 G HA3 0.738 4.746 3.960 0.079 0.000 0.301 236 G C -0.766 174.165 174.900 0.052 0.000 1.416 236 G CA -0.123 44.994 45.100 0.028 0.000 1.005 236 G HN 0.917 nan 8.290 nan 0.000 0.509 237 G N 1.440 110.282 108.800 0.071 0.000 2.489 237 G HA2 0.810 4.818 3.960 0.079 0.000 0.305 237 G HA3 0.810 4.818 3.960 0.079 0.000 0.305 237 G C -3.161 171.798 174.900 0.098 0.000 1.311 237 G CA -0.716 44.439 45.100 0.092 0.000 0.813 237 G HN 0.628 nan 8.290 nan 0.000 0.480 238 P HA 0.515 nan 4.420 nan 0.000 0.282 238 P C 0.050 177.149 177.300 -0.336 0.000 1.287 238 P CA 0.049 63.124 63.100 -0.042 0.000 0.792 238 P CB 0.923 32.599 31.700 -0.039 0.000 1.163 239 A N 0.292 122.679 122.820 -0.722 0.000 2.498 239 A HA 0.178 4.545 4.320 0.079 0.000 0.239 239 A C 0.087 177.364 177.584 -0.511 0.000 1.068 239 A CA 0.360 51.629 52.037 -1.280 0.000 0.766 239 A CB -0.968 17.443 19.000 -0.982 0.000 1.003 239 A HN 0.642 nan 8.150 nan 0.000 0.497 240 D N -0.058 120.124 120.400 -0.363 0.000 2.498 240 D HA 0.473 5.160 4.640 0.079 0.000 0.247 240 D C -1.061 175.227 176.300 -0.020 0.000 1.070 240 D CA -0.389 53.558 54.000 -0.089 0.000 0.842 240 D CB 1.520 42.294 40.800 -0.043 0.000 1.361 240 D HN 0.311 nan 8.370 nan 0.000 0.484 241 D N 2.055 122.472 120.400 0.029 0.000 2.886 241 D HA 0.231 4.918 4.640 0.079 0.000 0.355 241 D C -0.969 175.386 176.300 0.091 0.000 1.274 241 D CA -0.264 53.806 54.000 0.115 0.000 0.836 241 D CB 0.093 40.944 40.800 0.085 0.000 1.109 241 D HN 0.302 nan 8.370 nan 0.000 0.488 242 S N -0.983 114.748 115.700 0.051 0.000 2.971 242 S HA 0.243 4.761 4.470 0.079 0.000 0.320 242 S C 1.339 175.926 174.600 -0.021 0.000 1.111 242 S CA -0.649 57.567 58.200 0.027 0.000 0.870 242 S CB -0.085 63.116 63.200 0.001 0.000 1.331 242 S HN 0.144 nan 8.310 nan 0.000 0.635 243 Y N 0.091 120.426 120.300 0.059 0.000 2.241 243 Y HA -0.026 4.572 4.550 0.080 0.000 0.286 243 Y C 1.991 177.908 175.900 0.028 0.000 1.166 243 Y CA 1.318 59.438 58.100 0.033 0.000 1.203 243 Y CB -0.820 37.663 38.460 0.039 0.000 0.977 243 Y HN 0.431 nan 8.280 nan 0.000 0.529 244 L N -0.222 120.566 121.223 -0.725 0.000 1.994 244 L HA -0.168 4.220 4.340 0.079 0.000 0.208 244 L C 2.382 179.163 176.870 -0.148 0.000 1.071 244 L CA 1.798 56.371 54.840 -0.444 0.000 0.745 244 L CB -1.519 40.166 42.059 -0.622 0.000 0.892 244 L HN 0.379 nan 8.230 nan 0.000 0.431 245 Y N 0.841 120.964 120.300 -0.294 0.000 2.207 245 Y HA -0.261 4.331 4.550 0.071 0.000 0.287 245 Y C 2.297 178.050 175.900 -0.245 0.000 1.156 245 Y CA 1.782 59.674 58.100 -0.346 0.000 1.182 245 Y CB -0.708 37.525 38.460 -0.380 0.000 0.979 245 Y HN 0.383 nan 8.280 nan 0.000 0.521 246 D N -0.462 119.826 120.400 -0.187 0.000 2.123 246 D HA -0.212 4.476 4.640 0.079 0.000 0.196 246 D C 2.190 178.417 176.300 -0.121 0.000 0.992 246 D CA 1.509 55.393 54.000 -0.195 0.000 0.833 246 D CB -0.313 40.450 40.800 -0.062 0.000 0.954 246 D HN 0.333 nan 8.370 nan 0.000 0.455 247 M N 0.211 119.784 119.600 -0.045 0.000 2.132 247 M HA -0.028 4.500 4.480 0.079 0.000 0.263 247 M C 1.988 178.286 176.300 -0.003 0.000 1.065 247 M CA 0.910 56.212 55.300 0.003 0.000 1.122 247 M CB -0.392 32.237 32.600 0.048 0.000 1.365 247 M HN -0.034 nan 8.290 nan 0.000 0.411 248 I N -0.783 119.774 120.570 -0.021 0.000 2.208 248 I HA -0.344 3.874 4.170 0.079 0.000 0.245 248 I C 2.141 178.255 176.117 -0.005 0.000 1.097 248 I CA 1.290 62.599 61.300 0.015 0.000 1.363 248 I CB -0.408 37.617 38.000 0.042 0.000 1.051 248 I HN 0.240 nan 8.210 nan 0.000 0.413 249 I N 0.048 120.529 120.570 -0.148 0.000 2.226 249 I HA -0.303 3.915 4.170 0.079 0.000 0.245 249 I C 2.614 178.738 176.117 0.011 0.000 1.100 249 I CA 1.096 62.318 61.300 -0.130 0.000 1.374 249 I CB -0.406 37.392 38.000 -0.336 0.000 1.057 249 I HN 0.302 nan 8.210 nan 0.000 0.413 250 Q N 0.604 120.397 119.800 -0.011 0.000 2.096 250 Q HA -0.198 4.190 4.340 0.079 0.000 0.204 250 Q C 2.453 178.485 176.000 0.052 0.000 0.982 250 Q CA 1.970 57.786 55.803 0.022 0.000 0.850 250 Q CB -0.682 28.066 28.738 0.018 0.000 0.901 250 Q HN 0.592 nan 8.270 nan 0.000 0.422 251 A N 0.100 122.962 122.820 0.070 0.000 1.877 251 A HA -0.231 4.137 4.320 0.079 0.000 0.216 251 A C 2.056 179.701 177.584 0.100 0.000 1.186 251 A CA 1.560 53.648 52.037 0.085 0.000 0.620 251 A CB -1.067 17.992 19.000 0.099 0.000 0.822 251 A HN 0.422 nan 8.150 nan 0.000 0.443 252 Y N 1.288 121.597 120.300 0.016 0.000 2.114 252 Y HA -0.285 4.305 4.550 0.066 0.000 0.282 252 Y C 2.144 178.052 175.900 0.013 0.000 1.165 252 Y CA 2.329 60.442 58.100 0.021 0.000 1.148 252 Y CB -0.622 37.852 38.460 0.023 0.000 0.972 252 Y HN 0.471 nan 8.280 nan 0.000 0.504 253 N N -0.287 118.456 118.700 0.072 0.000 2.289 253 N HA -0.145 4.643 4.740 0.079 0.000 0.184 253 N C 1.628 177.104 175.510 -0.057 0.000 1.016 253 N CA 0.555 53.599 53.050 -0.010 0.000 0.872 253 N CB -0.274 38.243 38.487 0.049 0.000 0.973 253 N HN 0.432 nan 8.380 nan 0.000 0.433 254 A N 0.520 123.320 122.820 -0.033 0.000 2.235 254 A HA 0.262 4.630 4.320 0.079 0.000 0.208 254 A C 1.570 179.120 177.584 -0.057 0.000 1.172 254 A CA 0.800 52.821 52.037 -0.027 0.000 0.786 254 A CB -0.374 18.630 19.000 0.007 0.000 0.804 254 A HN 0.348 nan 8.150 nan 0.000 0.479 255 G N -1.039 107.685 108.800 -0.127 0.000 2.132 255 G HA2 -0.203 3.805 3.960 0.079 0.000 0.234 255 G HA3 -0.203 3.805 3.960 0.079 0.000 0.234 255 G C 0.020 174.856 174.900 -0.107 0.000 0.989 255 G CA 0.161 45.172 45.100 -0.149 0.000 0.676 255 G HN 0.472 nan 8.290 nan 0.000 0.522 256 I N 1.178 121.705 120.570 -0.071 0.000 2.342 256 I HA 0.332 4.550 4.170 0.079 0.000 0.291 256 I C 0.881 177.011 176.117 0.022 0.000 1.010 256 I CA -0.991 60.304 61.300 -0.007 0.000 1.308 256 I CB 1.581 39.603 38.000 0.037 0.000 1.400 256 I HN -0.129 nan 8.210 nan 0.000 0.488 257 V N 7.769 127.702 119.914 0.031 0.000 2.508 257 V HA 0.218 4.386 4.120 0.079 0.000 0.281 257 V C 0.273 176.430 176.094 0.106 0.000 1.041 257 V CA -0.038 62.307 62.300 0.074 0.000 1.016 257 V CB 0.712 32.564 31.823 0.049 0.000 0.984 257 V HN 0.438 nan 8.190 nan 0.000 0.478 258 I N 5.420 126.082 120.570 0.155 0.000 2.404 258 I HA 0.581 4.798 4.170 0.079 0.000 0.293 258 I C -0.549 175.653 176.117 0.143 0.000 0.992 258 I CA -0.651 60.738 61.300 0.149 0.000 1.149 258 I CB 1.886 39.990 38.000 0.174 0.000 1.315 258 I HN 0.285 nan 8.210 nan 0.000 0.446 259 V N 4.522 124.509 119.914 0.122 0.000 2.656 259 V HA 0.932 5.099 4.120 0.079 0.000 0.307 259 V C -0.201 175.958 176.094 0.108 0.000 1.051 259 V CA -0.526 61.845 62.300 0.117 0.000 0.893 259 V CB 1.621 33.509 31.823 0.108 0.000 0.999 259 V HN 0.898 nan 8.190 nan 0.000 0.426 260 A N 2.601 125.483 122.820 0.102 0.000 2.606 260 A HA 0.959 5.326 4.320 0.079 0.000 0.293 260 A C -0.402 177.230 177.584 0.080 0.000 1.082 260 A CA -0.233 51.856 52.037 0.087 0.000 0.685 260 A CB 1.584 20.627 19.000 0.071 0.000 1.284 260 A HN 1.674 nan 8.150 nan 0.000 0.408 261 A N 0.542 123.409 122.820 0.079 0.000 2.388 261 A HA 0.516 4.884 4.320 0.079 0.000 0.257 261 A C 1.390 179.004 177.584 0.050 0.000 1.095 261 A CA 0.385 52.472 52.037 0.083 0.000 0.791 261 A CB -0.026 19.034 19.000 0.099 0.000 1.029 261 A HN 2.051 nan 8.150 nan 0.000 0.489 262 S N 1.863 117.594 115.700 0.051 0.000 2.428 262 S HA 0.392 4.910 4.470 0.079 0.000 0.230 262 S C 1.034 175.643 174.600 0.016 0.000 1.014 262 S CA 0.755 58.964 58.200 0.015 0.000 0.957 262 S CB -0.684 62.526 63.200 0.016 0.000 0.784 262 S HN 2.657 nan 8.310 nan 0.000 0.499 263 G N 0.621 109.454 108.800 0.056 0.000 2.440 263 G HA2 0.011 4.018 3.960 0.079 0.000 0.684 263 G HA3 0.011 4.018 3.960 0.079 0.000 0.684 263 G C -0.807 174.158 174.900 0.108 0.000 1.309 263 G CA -0.405 44.729 45.100 0.057 0.000 0.931 263 G HN 0.158 nan 8.290 nan 0.000 0.612 264 N N -0.240 118.514 118.700 0.089 0.000 2.282 264 N HA 0.230 5.018 4.740 0.079 0.000 0.240 264 N C 0.789 176.373 175.510 0.125 0.000 1.182 264 N CA 0.117 53.243 53.050 0.126 0.000 0.874 264 N CB 1.215 39.668 38.487 -0.057 0.000 1.126 264 N HN 0.571 nan 8.380 nan 0.000 0.516 265 E N -0.381 119.877 120.200 0.097 0.000 2.481 265 E HA 0.248 4.646 4.350 0.079 0.000 0.198 265 E C 1.034 177.675 176.600 0.068 0.000 1.027 265 E CA -0.019 56.422 56.400 0.068 0.000 0.900 265 E CB 0.220 29.942 29.700 0.036 0.000 0.993 265 E HN 0.260 nan 8.360 nan 0.000 0.482 266 G N 0.791 109.640 108.800 0.082 0.000 2.225 266 G HA2 -0.293 3.714 3.960 0.079 0.000 0.267 266 G HA3 -0.293 3.714 3.960 0.079 0.000 0.267 266 G C 0.434 175.336 174.900 0.003 0.000 1.024 266 G CA 0.218 45.335 45.100 0.028 0.000 0.784 266 G HN 0.505 nan 8.290 nan 0.000 0.507 267 A N -0.184 122.641 122.820 0.008 0.000 2.272 267 A HA 0.791 5.158 4.320 0.079 0.000 0.275 267 A C -0.290 177.285 177.584 -0.015 0.000 1.096 267 A CA -0.628 51.408 52.037 -0.002 0.000 0.822 267 A CB 0.711 19.712 19.000 0.002 0.000 1.088 267 A HN 0.086 nan 8.150 nan 0.000 0.495 268 P HA 0.048 nan 4.420 nan 0.000 0.237 268 P C -0.006 177.286 177.300 -0.013 0.000 1.178 268 P CA 1.152 64.243 63.100 -0.016 0.000 0.766 268 P CB 0.064 31.759 31.700 -0.008 0.000 0.876 269 S N -3.301 112.386 115.700 -0.022 0.000 2.671 269 S HA 0.680 5.198 4.470 0.079 0.000 0.277 269 S C -3.262 171.300 174.600 -0.063 0.000 1.165 269 S CA -2.107 56.072 58.200 -0.036 0.000 0.822 269 S CB 1.219 64.390 63.200 -0.049 0.000 1.150 269 S HN -0.296 nan 8.310 nan 0.000 0.479 270 P HA 0.390 nan 4.420 nan 0.000 0.275 270 P C -0.405 176.767 177.300 -0.212 0.000 1.228 270 P CA -0.203 62.814 63.100 -0.137 0.000 0.786 270 P CB 0.526 32.124 31.700 -0.171 0.000 0.927 271 S N 1.048 116.659 115.700 -0.149 0.000 2.606 271 S HA 0.186 4.704 4.470 0.079 0.000 0.257 271 S C -0.140 174.274 174.600 -0.310 0.000 1.327 271 S CA 0.022 58.143 58.200 -0.131 0.000 0.984 271 S CB -0.144 63.038 63.200 -0.031 0.000 0.941 271 S HN 0.282 nan 8.310 nan 0.000 0.576 272 Y N 1.597 121.771 120.300 -0.210 0.000 2.320 272 Y HA 0.299 4.895 4.550 0.076 0.000 0.324 272 Y C -1.192 174.598 175.900 -0.182 0.000 1.190 272 Y CA -1.923 55.970 58.100 -0.345 0.000 1.215 272 Y CB 0.709 38.872 38.460 -0.496 0.000 1.221 272 Y HN 0.460 nan 8.280 nan 0.000 0.486 273 P HA -0.023 nan 4.420 nan 0.000 0.245 273 P C 0.814 178.049 177.300 -0.108 0.000 1.212 273 P CA 0.979 64.080 63.100 0.003 0.000 0.774 273 P CB 0.137 31.985 31.700 0.246 0.000 0.999 274 A N 1.420 124.155 122.820 -0.142 0.000 1.948 274 A HA -0.128 4.239 4.320 0.079 0.000 0.220 274 A C 2.390 179.813 177.584 -0.268 0.000 1.177 274 A CA 2.048 54.009 52.037 -0.126 0.000 0.636 274 A CB -1.440 17.505 19.000 -0.092 0.000 0.815 274 A HN 0.263 nan 8.150 nan 0.000 0.449 275 A N -1.774 120.674 122.820 -0.621 0.000 2.121 275 A HA 0.189 4.557 4.320 0.079 0.000 0.218 275 A C 0.613 177.839 177.584 -0.597 0.000 1.154 275 A CA 0.200 51.750 52.037 -0.812 0.000 0.679 275 A CB -0.474 17.595 19.000 -1.551 0.000 0.795 275 A HN 0.443 nan 8.150 nan 0.000 0.458 276 Y N 0.138 120.259 120.300 -0.298 0.000 2.497 276 Y HA 0.176 4.766 4.550 0.066 0.000 0.334 276 Y C -0.993 174.821 175.900 -0.143 0.000 1.199 276 Y CA -1.599 56.408 58.100 -0.155 0.000 1.425 276 Y CB 0.170 38.591 38.460 -0.066 0.000 1.291 276 Y HN 0.145 nan 8.280 nan 0.000 0.562 277 P HA -0.104 nan 4.420 nan 0.000 0.226 277 P C 0.301 177.598 177.300 -0.004 0.000 1.153 277 P CA 1.167 64.223 63.100 -0.073 0.000 0.777 277 P CB 0.428 32.084 31.700 -0.073 0.000 0.794 278 E N -0.586 119.587 120.200 -0.045 0.000 2.482 278 E HA 0.042 4.440 4.350 0.079 0.000 0.196 278 E C 0.375 177.023 176.600 0.079 0.000 1.047 278 E CA 0.319 56.579 56.400 -0.235 0.000 0.869 278 E CB -0.113 29.426 29.700 -0.268 0.000 0.836 278 E HN 0.126 nan 8.360 nan 0.000 0.520 279 V N 1.244 121.241 119.914 0.139 0.000 2.604 279 V HA 0.309 4.477 4.120 0.079 0.000 0.305 279 V C -0.087 176.101 176.094 0.156 0.000 1.043 279 V CA -0.875 61.526 62.300 0.168 0.000 0.888 279 V CB 1.973 33.902 31.823 0.177 0.000 0.995 279 V HN 0.025 nan 8.190 nan 0.000 0.429 280 I N 3.930 124.603 120.570 0.172 0.000 2.363 280 I HA 0.391 4.609 4.170 0.079 0.000 0.292 280 I C 0.854 177.058 176.117 0.144 0.000 1.075 280 I CA 0.125 61.538 61.300 0.188 0.000 1.333 280 I CB 0.930 39.048 38.000 0.197 0.000 1.415 280 I HN 0.722 nan 8.210 nan 0.000 0.502 281 A N 7.165 130.062 122.820 0.128 0.000 2.409 281 A HA 0.547 4.914 4.320 0.079 0.000 0.267 281 A C -0.215 177.439 177.584 0.117 0.000 1.127 281 A CA -0.286 51.802 52.037 0.085 0.000 0.795 281 A CB 0.373 19.397 19.000 0.041 0.000 1.061 281 A HN 0.501 nan 8.150 nan 0.000 0.502 282 V N 3.166 123.139 119.914 0.100 0.000 2.409 282 V HA 0.621 4.789 4.120 0.079 0.000 0.291 282 V C 0.929 177.075 176.094 0.087 0.000 1.020 282 V CA -0.061 62.304 62.300 0.109 0.000 0.848 282 V CB 1.424 33.320 31.823 0.122 0.000 0.990 282 V HN 1.130 nan 8.190 nan 0.000 0.430 283 G N 2.869 111.708 108.800 0.066 0.000 2.511 283 G HA2 0.720 4.728 3.960 0.079 0.000 0.316 283 G HA3 0.720 4.728 3.960 0.079 0.000 0.316 283 G C -0.565 174.363 174.900 0.046 0.000 1.210 283 G CA -0.312 44.807 45.100 0.031 0.000 0.969 283 G HN 1.078 nan 8.290 nan 0.000 0.492 284 A N 0.001 122.829 122.820 0.014 0.000 2.318 284 A HA 0.691 5.059 4.320 0.079 0.000 0.317 284 A C -0.107 177.452 177.584 -0.042 0.000 1.159 284 A CA -0.668 51.393 52.037 0.040 0.000 0.799 284 A CB 0.596 19.702 19.000 0.178 0.000 1.194 284 A HN 1.105 nan 8.150 nan 0.000 0.479 285 I N -0.107 120.498 120.570 0.059 0.000 2.707 285 I HA 0.753 4.970 4.170 0.079 0.000 0.309 285 I C -0.207 176.032 176.117 0.205 0.000 1.001 285 I CA -0.915 60.447 61.300 0.102 0.000 1.129 285 I CB 1.681 39.800 38.000 0.198 0.000 1.308 285 I HN 0.631 nan 8.210 nan 0.000 0.466 286 D N 2.217 122.686 120.400 0.115 0.000 2.506 286 D HA 0.174 4.861 4.640 0.079 0.000 0.272 286 D C 1.036 177.243 176.300 -0.156 0.000 1.214 286 D CA -0.254 53.787 54.000 0.068 0.000 1.067 286 D CB 0.907 41.681 40.800 -0.044 0.000 1.117 286 D HN 0.666 nan 8.370 nan 0.000 0.578 287 S N -0.931 114.351 115.700 -0.696 0.000 2.507 287 S HA -0.124 4.394 4.470 0.079 0.000 0.235 287 S C 0.819 175.152 174.600 -0.444 0.000 0.988 287 S CA 0.301 57.819 58.200 -1.137 0.000 0.944 287 S CB -0.520 61.814 63.200 -1.443 0.000 0.762 287 S HN 0.446 nan 8.310 nan 0.000 0.526 288 N N 1.390 119.939 118.700 -0.252 0.000 2.276 288 N HA 0.162 4.950 4.740 0.079 0.000 0.212 288 N C -0.632 174.846 175.510 -0.053 0.000 1.127 288 N CA 0.215 53.187 53.050 -0.130 0.000 0.834 288 N CB -0.013 38.409 38.487 -0.109 0.000 1.014 288 N HN 0.191 nan 8.380 nan 0.000 0.491 289 D N -0.563 119.829 120.400 -0.013 0.000 3.059 289 D HA -0.194 4.493 4.640 0.079 0.000 0.220 289 D C -0.698 175.693 176.300 0.152 0.000 1.169 289 D CA 0.786 54.828 54.000 0.070 0.000 0.902 289 D CB -1.961 38.841 40.800 0.004 0.000 1.116 289 D HN 0.471 nan 8.370 nan 0.000 0.417 290 N N 0.141 118.886 118.700 0.075 0.000 2.530 290 N HA 0.326 5.113 4.740 0.079 0.000 0.273 290 N C 0.280 175.785 175.510 -0.009 0.000 1.173 290 N CA -0.601 52.480 53.050 0.051 0.000 0.967 290 N CB 0.918 39.386 38.487 -0.030 0.000 1.109 290 N HN 0.107 nan 8.380 nan 0.000 0.453 291 I N 2.165 122.635 120.570 -0.167 0.000 2.588 291 I HA 0.125 4.342 4.170 0.079 0.000 0.283 291 I C 0.196 176.127 176.117 -0.310 0.000 1.119 291 I CA -0.042 61.053 61.300 -0.342 0.000 1.419 291 I CB 0.191 37.808 38.000 -0.639 0.000 1.394 291 I HN 0.620 nan 8.210 nan 0.000 0.562 292 A N 4.982 127.558 122.820 -0.407 0.000 2.462 292 A HA 0.277 4.645 4.320 0.079 0.000 0.243 292 A C 1.300 178.535 177.584 -0.581 0.000 1.076 292 A CA 0.405 52.064 52.037 -0.631 0.000 0.773 292 A CB -0.057 18.143 19.000 -1.332 0.000 1.010 292 A HN 0.974 nan 8.150 nan 0.000 0.493 293 S N 1.364 116.818 115.700 -0.411 0.000 2.442 293 S HA -0.176 4.342 4.470 0.079 0.000 0.236 293 S C 1.204 175.720 174.600 -0.141 0.000 1.007 293 S CA 1.667 59.740 58.200 -0.212 0.000 0.965 293 S CB -0.689 62.458 63.200 -0.088 0.000 0.773 293 S HN 1.140 nan 8.310 nan 0.000 0.504 294 F N 1.570 121.505 119.950 -0.025 0.000 2.743 294 F HA 0.482 5.054 4.527 0.075 0.000 0.297 294 F C 0.908 176.694 175.800 -0.023 0.000 1.131 294 F CA -0.646 57.343 58.000 -0.018 0.000 1.426 294 F CB -0.966 38.032 39.000 -0.003 0.000 1.116 294 F HN 0.104 nan 8.300 nan 0.000 0.583 295 S N 1.899 117.503 115.700 -0.160 0.000 2.465 295 S HA 0.089 4.607 4.470 0.079 0.000 0.280 295 S C 0.098 174.683 174.600 -0.025 0.000 1.232 295 S CA -0.454 57.721 58.200 -0.040 0.000 1.066 295 S CB -0.699 62.365 63.200 -0.226 0.000 0.929 295 S HN 0.468 nan 8.310 nan 0.000 0.494 296 N N 4.196 122.916 118.700 0.033 0.000 2.454 296 N HA 0.065 4.852 4.740 0.079 0.000 0.260 296 N C 0.211 175.697 175.510 -0.040 0.000 1.218 296 N CA -0.451 52.598 53.050 -0.002 0.000 0.904 296 N CB 0.442 38.934 38.487 0.007 0.000 1.065 296 N HN 0.480 nan 8.380 nan 0.000 0.462 297 R N 1.462 121.930 120.500 -0.054 0.000 2.652 297 R HA 0.098 4.486 4.340 0.079 0.000 0.271 297 R C 0.359 176.643 176.300 -0.028 0.000 1.129 297 R CA -0.181 55.873 56.100 -0.077 0.000 1.200 297 R CB -0.108 30.143 30.300 -0.081 0.000 1.146 297 R HN 0.672 nan 8.270 nan 0.000 0.581 298 Q N -1.581 118.210 119.800 -0.016 0.000 2.478 298 Q HA -0.147 4.241 4.340 0.079 0.000 0.286 298 Q C -2.018 174.109 176.000 0.212 0.000 1.299 298 Q CA 0.242 56.160 55.803 0.190 0.000 0.826 298 Q CB -1.611 27.284 28.738 0.261 0.000 1.199 298 Q HN 0.470 nan 8.270 nan 0.000 0.451 299 P HA 0.002 nan 4.420 nan 0.000 0.279 299 P C 0.381 177.848 177.300 0.278 0.000 1.282 299 P CA -0.023 63.146 63.100 0.115 0.000 0.788 299 P CB 0.745 32.465 31.700 0.032 0.000 1.139 300 E N -0.591 119.782 120.200 0.289 0.000 2.099 300 E HA 0.046 4.444 4.350 0.079 0.000 0.191 300 E C 0.420 177.258 176.600 0.398 0.000 0.962 300 E CA 0.486 57.142 56.400 0.428 0.000 0.826 300 E CB 0.304 30.241 29.700 0.395 0.000 0.788 300 E HN 0.316 nan 8.360 nan 0.000 0.461 301 V N -1.292 118.789 119.914 0.278 0.000 3.167 301 V HA 0.686 4.853 4.120 0.079 0.000 0.310 301 V C -0.526 175.656 176.094 0.148 0.000 1.207 301 V CA -0.485 61.959 62.300 0.239 0.000 1.059 301 V CB 1.590 33.573 31.823 0.267 0.000 1.079 301 V HN 0.194 nan 8.190 nan 0.000 0.446 302 S N -0.124 115.657 115.700 0.135 0.000 2.667 302 S HA 1.047 5.565 4.470 0.079 0.000 0.292 302 S C -0.354 174.301 174.600 0.092 0.000 1.126 302 S CA -0.260 58.005 58.200 0.108 0.000 0.881 302 S CB 1.775 65.045 63.200 0.117 0.000 1.132 302 S HN 2.563 nan 8.310 nan 0.000 0.492 303 A N 0.136 122.989 122.820 0.056 0.000 2.586 303 A HA 0.848 5.216 4.320 0.079 0.000 0.290 303 A C -3.405 174.108 177.584 -0.119 0.000 1.086 303 A CA -1.650 50.366 52.037 -0.035 0.000 0.665 303 A CB 0.290 19.279 19.000 -0.018 0.000 1.279 303 A HN 0.570 nan 8.150 nan 0.000 0.423 304 P HA 0.249 nan 4.420 nan 0.000 0.260 304 P C 0.656 177.814 177.300 -0.237 0.000 1.185 304 P CA 1.172 63.999 63.100 -0.455 0.000 0.763 304 P CB 0.559 31.489 31.700 -1.283 0.000 0.776 305 G N 2.018 110.879 108.800 0.102 0.000 4.213 305 G HA2 0.298 4.305 3.960 0.079 0.000 0.274 305 G HA3 0.298 4.305 3.960 0.079 0.000 0.274 305 G C -0.628 174.498 174.900 0.376 0.000 1.033 305 G CA 0.029 45.268 45.100 0.232 0.000 0.822 305 G HN 0.390 nan 8.290 nan 0.000 0.432 306 V N 0.855 121.023 119.914 0.423 0.000 2.531 306 V HA 0.437 4.604 4.120 0.079 0.000 0.301 306 V C -0.520 175.859 176.094 0.476 0.000 1.034 306 V CA -0.824 61.725 62.300 0.415 0.000 0.865 306 V CB 1.684 33.694 31.823 0.311 0.000 0.995 306 V HN 0.253 nan 8.190 nan 0.000 0.424 307 D N 2.819 123.419 120.400 0.333 0.000 2.718 307 D HA -0.134 4.553 4.640 0.079 0.000 0.242 307 D C -0.370 176.170 176.300 0.400 0.000 1.123 307 D CA 0.623 54.816 54.000 0.323 0.000 0.690 307 D CB -0.409 40.561 40.800 0.285 0.000 1.059 307 D HN 0.269 nan 8.370 nan 0.000 0.429 308 I N 1.300 122.040 120.570 0.284 0.000 2.291 308 I HA 0.202 4.420 4.170 0.079 0.000 0.290 308 I C 0.745 177.013 176.117 0.252 0.000 1.050 308 I CA -0.837 60.597 61.300 0.222 0.000 1.245 308 I CB 0.734 38.877 38.000 0.239 0.000 1.405 308 I HN 0.061 nan 8.210 nan 0.000 0.478 309 L N 6.586 127.909 121.223 0.167 0.000 2.331 309 L HA 0.489 4.876 4.340 0.079 0.000 0.278 309 L C 0.242 177.111 176.870 -0.003 0.000 1.106 309 L CA 1.033 55.957 54.840 0.141 0.000 0.824 309 L CB 1.023 43.148 42.059 0.109 0.000 1.142 309 L HN 0.700 nan 8.230 nan 0.000 0.443 310 S N 1.660 117.300 115.700 -0.101 0.000 2.752 310 S HA 0.641 5.159 4.470 0.079 0.000 0.284 310 S C -0.724 173.853 174.600 -0.037 0.000 1.189 310 S CA -0.087 57.929 58.200 -0.305 0.000 0.835 310 S CB 0.926 63.575 63.200 -0.919 0.000 1.192 310 S HN 0.903 nan 8.310 nan 0.000 0.506 311 T N 0.437 114.928 114.554 -0.106 0.000 2.900 311 T HA 0.524 4.922 4.350 0.079 0.000 0.307 311 T C -0.875 173.844 174.700 0.031 0.000 1.065 311 T CA 0.105 62.089 62.100 -0.193 0.000 1.105 311 T CB 0.409 68.926 68.868 -0.584 0.000 0.979 311 T HN 0.578 nan 8.240 nan 0.000 0.544 312 Y N 1.187 121.417 120.300 -0.116 0.000 2.558 312 Y HA 0.445 5.041 4.550 0.076 0.000 0.333 312 Y C -2.842 173.058 175.900 -0.000 0.000 1.125 312 Y CA -2.369 55.732 58.100 0.002 0.000 1.039 312 Y CB 2.116 40.617 38.460 0.068 0.000 1.331 312 Y HN 0.516 nan 8.280 nan 0.000 0.456 313 P HA 0.085 nan 4.420 nan 0.000 0.269 313 P C -1.238 176.040 177.300 -0.036 0.000 1.215 313 P CA 0.135 63.149 63.100 -0.143 0.000 0.780 313 P CB 0.595 32.152 31.700 -0.238 0.000 0.898 314 D N 1.678 122.045 120.400 -0.055 0.000 2.329 314 D HA 0.115 4.802 4.640 0.079 0.000 0.232 314 D C -0.343 175.843 176.300 -0.190 0.000 1.088 314 D CA 0.011 53.939 54.000 -0.120 0.000 0.835 314 D CB -0.344 40.394 40.800 -0.104 0.000 1.078 314 D HN 0.267 nan 8.370 nan 0.000 0.495 315 D N 1.409 121.609 120.400 -0.334 0.000 2.737 315 D HA -0.205 4.482 4.640 0.079 0.000 0.233 315 D C -0.320 175.599 176.300 -0.635 0.000 1.155 315 D CA 0.871 54.393 54.000 -0.796 0.000 0.667 315 D CB -1.146 39.355 40.800 -0.499 0.000 1.060 315 D HN 0.237 nan 8.370 nan 0.000 0.427 316 S N -1.719 113.757 115.700 -0.373 0.000 2.921 316 S HA 0.820 5.338 4.470 0.079 0.000 0.315 316 S C -1.327 172.936 174.600 -0.561 0.000 1.087 316 S CA -0.602 57.432 58.200 -0.276 0.000 0.877 316 S CB 1.227 64.426 63.200 -0.002 0.000 1.340 316 S HN 0.109 nan 8.310 nan 0.000 0.622 317 Y N 0.189 120.618 120.300 0.213 0.000 2.513 317 Y HA 0.658 5.255 4.550 0.078 0.000 0.340 317 Y C -0.605 175.357 175.900 0.103 0.000 1.055 317 Y CA -0.736 57.466 58.100 0.170 0.000 1.020 317 Y CB 1.944 40.468 38.460 0.106 0.000 1.301 317 Y HN 0.649 nan 8.280 nan 0.000 0.453 318 E N 0.204 120.526 120.200 0.203 0.000 2.356 318 E HA 0.600 4.998 4.350 0.079 0.000 0.275 318 E C -1.615 175.059 176.600 0.125 0.000 0.904 318 E CA -0.697 55.688 56.400 -0.025 0.000 0.757 318 E CB 1.995 31.304 29.700 -0.652 0.000 1.232 318 E HN 0.511 nan 8.360 nan 0.000 0.442 319 T N 3.525 118.098 114.554 0.031 0.000 2.749 319 T HA 0.596 4.994 4.350 0.079 0.000 0.287 319 T C -0.438 174.241 174.700 -0.035 0.000 0.970 319 T CA -0.445 61.712 62.100 0.094 0.000 0.980 319 T CB 0.078 68.998 68.868 0.087 0.000 0.924 319 T HN 0.291 nan 8.240 nan 0.000 0.456 320 L N 3.410 124.598 121.223 -0.058 0.000 2.309 320 L HA 0.766 5.153 4.340 0.079 0.000 0.261 320 L C -0.283 176.566 176.870 -0.035 0.000 1.021 320 L CA -1.321 53.406 54.840 -0.189 0.000 0.823 320 L CB 2.116 43.855 42.059 -0.534 0.000 1.366 320 L HN 0.600 nan 8.230 nan 0.000 0.423 321 M N 0.218 119.778 119.600 -0.066 0.000 2.518 321 M HA 0.970 5.498 4.480 0.079 0.000 0.300 321 M C -0.596 175.593 176.300 -0.185 0.000 1.175 321 M CA -0.417 54.884 55.300 0.002 0.000 0.890 321 M CB 2.608 35.262 32.600 0.090 0.000 1.710 321 M HN 0.578 nan 8.290 nan 0.000 0.453 322 G N 0.510 109.267 108.800 -0.070 0.000 2.358 322 G HA2 0.237 4.245 3.960 0.079 0.000 0.303 322 G HA3 0.237 4.245 3.960 0.079 0.000 0.303 322 G C -0.051 174.982 174.900 0.222 0.000 1.537 322 G CA -0.146 44.846 45.100 -0.180 0.000 0.928 322 G HN 1.028 nan 8.290 nan 0.000 0.656 323 T N -2.203 112.522 114.554 0.286 0.000 2.929 323 T HA -0.161 4.236 4.350 0.079 0.000 0.271 323 T C 2.478 177.280 174.700 0.169 0.000 1.085 323 T CA 2.548 64.794 62.100 0.244 0.000 1.125 323 T CB -0.936 68.053 68.868 0.202 0.000 0.874 323 T HN 1.457 nan 8.240 nan 0.000 0.494 324 C N 0.071 119.457 119.300 0.144 0.000 2.456 324 C HA 0.324 4.832 4.460 0.079 0.000 0.279 324 C C 2.384 177.447 174.990 0.121 0.000 1.427 324 C CA -0.240 58.872 59.018 0.157 0.000 1.778 324 C CB -1.651 26.240 27.740 0.251 0.000 1.842 324 C HN 0.330 nan 8.230 nan 0.000 0.531 325 M N 1.863 121.535 119.600 0.121 0.000 2.435 325 M HA 0.244 4.771 4.480 0.079 0.000 0.265 325 M C 2.497 178.960 176.300 0.271 0.000 1.104 325 M CA 1.427 56.826 55.300 0.165 0.000 1.140 325 M CB -0.688 32.017 32.600 0.175 0.000 1.372 325 M HN 0.395 nan 8.290 nan 0.000 0.456 326 A N -0.511 122.445 122.820 0.226 0.000 1.898 326 A HA -0.145 4.222 4.320 0.079 0.000 0.216 326 A C 2.231 179.953 177.584 0.229 0.000 1.181 326 A CA 2.242 54.403 52.037 0.207 0.000 0.620 326 A CB -1.267 17.814 19.000 0.135 0.000 0.819 326 A HN 0.430 nan 8.150 nan 0.000 0.442 327 T N 0.938 115.598 114.554 0.175 0.000 2.597 327 T HA -0.135 4.262 4.350 0.079 0.000 0.267 327 T C -0.209 174.566 174.700 0.127 0.000 1.053 327 T CA 2.040 64.227 62.100 0.144 0.000 1.165 327 T CB -1.320 67.625 68.868 0.128 0.000 0.863 327 T HN 0.497 nan 8.240 nan 0.000 0.427 328 P HA -0.113 nan 4.420 nan 0.000 0.219 328 P C 0.812 178.100 177.300 -0.020 0.000 1.146 328 P CA 1.455 64.563 63.100 0.014 0.000 0.808 328 P CB -0.203 31.465 31.700 -0.054 0.000 0.779 329 H N -0.585 118.496 119.070 0.018 0.000 2.353 329 H HA -0.072 4.531 4.556 0.079 0.000 0.300 329 H C 2.027 177.375 175.328 0.032 0.000 1.090 329 H CA 1.361 57.414 56.048 0.008 0.000 1.327 329 H CB -0.931 28.819 29.762 -0.020 0.000 1.383 329 H HN -0.096 nan 8.280 nan 0.000 0.508 330 V N -0.263 119.755 119.914 0.174 0.000 2.358 330 V HA -0.227 3.941 4.120 0.079 0.000 0.246 330 V C 2.267 178.417 176.094 0.095 0.000 1.047 330 V CA 1.890 64.267 62.300 0.128 0.000 1.035 330 V CB -0.498 31.404 31.823 0.132 0.000 0.658 330 V HN 0.398 nan 8.190 nan 0.000 0.452 331 S N 0.889 116.637 115.700 0.080 0.000 2.370 331 S HA -0.166 4.352 4.470 0.079 0.000 0.226 331 S C 2.110 176.736 174.600 0.042 0.000 1.033 331 S CA 1.529 59.763 58.200 0.057 0.000 1.011 331 S CB -0.828 62.400 63.200 0.046 0.000 0.852 331 S HN 0.693 nan 8.310 nan 0.000 0.457 332 G N 1.302 110.123 108.800 0.035 0.000 2.418 332 G HA2 -0.166 3.842 3.960 0.079 0.000 0.217 332 G HA3 -0.166 3.842 3.960 0.079 0.000 0.217 332 G C 1.461 176.402 174.900 0.068 0.000 1.158 332 G CA 1.009 46.132 45.100 0.038 0.000 0.771 332 G HN 0.425 nan 8.290 nan 0.000 0.545 333 V N 0.525 120.486 119.914 0.079 0.000 2.343 333 V HA -0.180 3.987 4.120 0.079 0.000 0.247 333 V C 3.050 179.182 176.094 0.064 0.000 1.051 333 V CA 1.531 63.879 62.300 0.080 0.000 1.036 333 V CB -0.381 31.491 31.823 0.081 0.000 0.654 333 V HN 0.254 nan 8.190 nan 0.000 0.451 334 V N 0.331 120.277 119.914 0.055 0.000 2.343 334 V HA -0.274 3.893 4.120 0.079 0.000 0.247 334 V C 2.707 178.824 176.094 0.037 0.000 1.051 334 V CA 2.025 64.348 62.300 0.039 0.000 1.036 334 V CB -1.168 30.677 31.823 0.036 0.000 0.654 334 V HN 0.570 nan 8.190 nan 0.000 0.451 335 A N -0.342 122.500 122.820 0.037 0.000 1.940 335 A HA -0.163 4.204 4.320 0.079 0.000 0.219 335 A C 2.223 179.838 177.584 0.051 0.000 1.176 335 A CA 1.797 53.850 52.037 0.028 0.000 0.631 335 A CB -0.503 18.504 19.000 0.012 0.000 0.814 335 A HN 0.515 nan 8.150 nan 0.000 0.446 336 L N -0.765 120.502 121.223 0.075 0.000 2.056 336 L HA -0.153 4.235 4.340 0.079 0.000 0.207 336 L C 2.481 179.412 176.870 0.101 0.000 1.078 336 L CA 1.141 56.042 54.840 0.102 0.000 0.749 336 L CB -0.489 41.647 42.059 0.128 0.000 0.901 336 L HN 0.378 nan 8.230 nan 0.000 0.433 337 I N -0.729 119.891 120.570 0.084 0.000 2.179 337 I HA -0.287 3.931 4.170 0.079 0.000 0.242 337 I C 2.715 178.907 176.117 0.126 0.000 1.088 337 I CA 1.174 62.526 61.300 0.088 0.000 1.357 337 I CB -0.304 37.719 38.000 0.037 0.000 1.051 337 I HN 0.344 nan 8.210 nan 0.000 0.409 338 Q N 0.502 120.360 119.800 0.096 0.000 2.123 338 Q HA -0.092 4.295 4.340 0.079 0.000 0.199 338 Q C 2.448 178.561 176.000 0.187 0.000 0.966 338 Q CA 1.651 57.531 55.803 0.130 0.000 0.845 338 Q CB -0.408 28.367 28.738 0.061 0.000 0.907 338 Q HN 0.560 nan 8.270 nan 0.000 0.439 339 A N 1.217 124.114 122.820 0.129 0.000 1.877 339 A HA -0.074 4.293 4.320 0.079 0.000 0.216 339 A C 2.327 180.013 177.584 0.170 0.000 1.186 339 A CA 1.934 54.047 52.037 0.127 0.000 0.620 339 A CB -0.649 18.395 19.000 0.075 0.000 0.822 339 A HN 0.355 nan 8.150 nan 0.000 0.443 340 A N -1.915 121.001 122.820 0.159 0.000 1.930 340 A HA -0.049 4.319 4.320 0.079 0.000 0.217 340 A C 2.142 179.819 177.584 0.155 0.000 1.175 340 A CA 1.544 53.661 52.037 0.133 0.000 0.627 340 A CB -0.750 18.322 19.000 0.120 0.000 0.815 340 A HN 0.643 nan 8.150 nan 0.000 0.443 341 Y N -1.490 118.882 120.300 0.120 0.000 2.145 341 Y HA -0.249 4.350 4.550 0.082 0.000 0.286 341 Y C 2.271 178.278 175.900 0.179 0.000 1.145 341 Y CA 2.158 60.371 58.100 0.188 0.000 1.148 341 Y CB -0.545 38.032 38.460 0.196 0.000 0.981 341 Y HN 0.434 nan 8.280 nan 0.000 0.507 342 Y N 0.882 121.308 120.300 0.210 0.000 2.181 342 Y HA -0.321 4.279 4.550 0.083 0.000 0.288 342 Y C 2.752 178.651 175.900 -0.001 0.000 1.146 342 Y CA 2.263 60.427 58.100 0.107 0.000 1.164 342 Y CB -0.628 37.892 38.460 0.099 0.000 0.982 342 Y HN 0.288 nan 8.280 nan 0.000 0.515 343 Q N 0.298 120.188 119.800 0.150 0.000 2.135 343 Q HA -0.286 4.102 4.340 0.079 0.000 0.204 343 Q C 2.257 178.154 176.000 -0.171 0.000 0.981 343 Q CA 2.215 58.033 55.803 0.024 0.000 0.856 343 Q CB -0.158 28.605 28.738 0.042 0.000 0.902 343 Q HN 0.490 nan 8.270 nan 0.000 0.425 344 K N -1.218 119.000 120.400 -0.304 0.000 2.067 344 K HA -0.091 4.276 4.320 0.079 0.000 0.203 344 K C 1.032 177.210 176.600 -0.703 0.000 1.048 344 K CA 1.119 57.048 56.287 -0.597 0.000 0.954 344 K CB 0.123 32.066 32.500 -0.928 0.000 0.737 344 K HN 0.275 nan 8.250 nan 0.000 0.444 345 Y N -1.328 118.744 120.300 -0.381 0.000 2.430 345 Y HA 0.247 4.843 4.550 0.077 0.000 0.248 345 Y C 1.103 176.769 175.900 -0.391 0.000 1.108 345 Y CA -0.006 57.855 58.100 -0.399 0.000 1.264 345 Y CB 1.566 39.671 38.460 -0.592 0.000 1.172 345 Y HN 0.308 nan 8.280 nan 0.000 0.520 346 G N 1.492 109.995 108.800 -0.496 0.000 2.155 346 G HA2 -0.295 3.713 3.960 0.079 0.000 0.257 346 G HA3 -0.295 3.713 3.960 0.079 0.000 0.257 346 G C 0.050 174.601 174.900 -0.583 0.000 0.983 346 G CA 0.732 45.338 45.100 -0.823 0.000 0.676 346 G HN 0.452 nan 8.290 nan 0.000 0.528 347 K N -0.793 119.477 120.400 -0.217 0.000 2.469 347 K HA 0.817 5.185 4.320 0.079 0.000 0.268 347 K C 0.111 176.987 176.600 0.461 0.000 1.027 347 K CA -1.053 55.348 56.287 0.190 0.000 0.893 347 K CB 1.841 34.432 32.500 0.152 0.000 1.460 347 K HN 0.622 nan 8.250 nan 0.000 0.449 348 I N -1.699 119.105 120.570 0.391 0.000 2.947 348 I HA 0.460 4.678 4.170 0.079 0.000 0.314 348 I C -0.595 175.567 176.117 0.076 0.000 1.028 348 I CA -1.513 59.971 61.300 0.307 0.000 1.077 348 I CB 1.056 39.159 38.000 0.172 0.000 1.274 348 I HN 0.428 nan 8.210 nan 0.000 0.485 349 L N 2.595 123.687 121.223 -0.218 0.000 2.417 349 L HA 0.419 4.807 4.340 0.079 0.000 0.268 349 L C -2.087 174.679 176.870 -0.174 0.000 1.158 349 L CA -1.493 53.135 54.840 -0.354 0.000 0.819 349 L CB 0.272 42.014 42.059 -0.529 0.000 1.112 349 L HN 0.443 nan 8.230 nan 0.000 0.458 350 P HA 0.022 nan 4.420 nan 0.000 0.272 350 P C 0.747 177.966 177.300 -0.135 0.000 1.223 350 P CA -0.407 62.614 63.100 -0.131 0.000 0.784 350 P CB 0.673 32.309 31.700 -0.107 0.000 0.923 351 V N 0.965 120.785 119.914 -0.156 0.000 2.295 351 V HA -0.033 4.135 4.120 0.079 0.000 0.246 351 V C 1.397 177.484 176.094 -0.011 0.000 1.049 351 V CA 2.342 64.584 62.300 -0.096 0.000 1.024 351 V CB -1.852 29.869 31.823 -0.169 0.000 0.648 351 V HN 1.096 nan 8.190 nan 0.000 0.447 352 G N 0.210 109.026 108.800 0.026 0.000 2.660 352 G HA2 -0.102 3.906 3.960 0.079 0.000 0.215 352 G HA3 -0.102 3.906 3.960 0.079 0.000 0.215 352 G C -0.093 174.938 174.900 0.220 0.000 1.345 352 G CA -0.064 45.084 45.100 0.080 0.000 0.877 352 G HN 1.016 nan 8.290 nan 0.000 0.549 353 T N -2.633 112.014 114.554 0.154 0.000 2.926 353 T HA 0.663 5.061 4.350 0.079 0.000 0.289 353 T C 1.323 176.174 174.700 0.252 0.000 1.054 353 T CA 0.365 62.585 62.100 0.200 0.000 1.015 353 T CB 1.644 70.556 68.868 0.073 0.000 1.167 353 T HN 1.791 nan 8.240 nan 0.000 0.526 354 F N -0.024 120.037 119.950 0.185 0.000 2.269 354 F HA 0.126 4.699 4.527 0.077 0.000 0.301 354 F C 1.402 177.329 175.800 0.212 0.000 1.082 354 F CA 0.868 59.007 58.000 0.232 0.000 1.360 354 F CB -0.639 38.428 39.000 0.112 0.000 1.041 354 F HN 0.389 nan 8.300 nan 0.000 0.512 355 D N 0.323 120.340 120.400 -0.640 0.000 2.347 355 D HA -0.055 4.632 4.640 0.079 0.000 0.213 355 D C 0.108 176.319 176.300 -0.150 0.000 0.985 355 D CA 0.470 54.153 54.000 -0.529 0.000 0.879 355 D CB -0.496 39.883 40.800 -0.700 0.000 0.919 355 D HN 0.271 nan 8.370 nan 0.000 0.526 356 D N 0.483 120.877 120.400 -0.010 0.000 2.417 356 D HA 0.023 4.711 4.640 0.079 0.000 0.250 356 D C 1.049 177.358 176.300 0.016 0.000 1.166 356 D CA 0.015 54.014 54.000 -0.002 0.000 0.881 356 D CB 0.611 41.395 40.800 -0.027 0.000 1.164 356 D HN 0.199 nan 8.370 nan 0.000 0.467 357 I N 0.351 120.902 120.570 -0.033 0.000 3.817 357 I HA 0.205 4.423 4.170 0.079 0.000 0.325 357 I C 0.118 176.213 176.117 -0.037 0.000 1.550 357 I CA -0.665 60.613 61.300 -0.037 0.000 1.100 357 I CB 0.320 38.316 38.000 -0.007 0.000 1.216 357 I HN 0.080 nan 8.210 nan 0.000 0.481 358 S N 0.307 115.977 115.700 -0.051 0.000 2.687 358 S HA 0.451 4.968 4.470 0.079 0.000 0.283 358 S C 0.551 175.115 174.600 -0.061 0.000 1.170 358 S CA -0.729 57.443 58.200 -0.047 0.000 1.008 358 S CB 1.814 64.987 63.200 -0.044 0.000 1.026 358 S HN 0.310 nan 8.310 nan 0.000 0.541 359 K N 0.633 121.006 120.400 -0.045 0.000 2.522 359 K HA 0.149 4.517 4.320 0.079 0.000 0.194 359 K C 0.263 176.824 176.600 -0.065 0.000 1.026 359 K CA 0.020 56.279 56.287 -0.046 0.000 1.119 359 K CB -0.231 32.260 32.500 -0.016 0.000 0.856 359 K HN 0.484 nan 8.250 nan 0.000 0.513 360 N N 0.998 119.652 118.700 -0.077 0.000 2.236 360 N HA -0.021 4.767 4.740 0.079 0.000 0.196 360 N C 0.203 175.634 175.510 -0.131 0.000 1.114 360 N CA 0.417 53.412 53.050 -0.092 0.000 0.859 360 N CB 1.006 39.455 38.487 -0.063 0.000 0.982 360 N HN 0.222 nan 8.380 nan 0.000 0.493 361 T N -4.147 110.322 114.554 -0.141 0.000 2.864 361 T HA 0.357 4.755 4.350 0.079 0.000 0.299 361 T C 1.304 175.900 174.700 -0.173 0.000 1.166 361 T CA -0.693 61.315 62.100 -0.154 0.000 1.007 361 T CB 1.609 70.412 68.868 -0.108 0.000 1.219 361 T HN -0.277 nan 8.240 nan 0.000 0.506 362 V N 1.512 121.328 119.914 -0.163 0.000 2.252 362 V HA -0.180 3.987 4.120 0.079 0.000 0.249 362 V C 2.936 178.920 176.094 -0.183 0.000 1.056 362 V CA 2.051 64.265 62.300 -0.144 0.000 1.022 362 V CB -0.900 30.867 31.823 -0.094 0.000 0.641 362 V HN 0.856 nan 8.190 nan 0.000 0.445 363 R N 0.013 120.384 120.500 -0.215 0.000 2.115 363 R HA -0.037 4.351 4.340 0.079 0.000 0.230 363 R C 2.480 178.282 176.300 -0.829 0.000 1.111 363 R CA 1.182 57.011 56.100 -0.451 0.000 0.976 363 R CB -0.831 29.323 30.300 -0.245 0.000 0.870 363 R HN 0.605 nan 8.270 nan 0.000 0.445 364 G N 1.571 110.114 108.800 -0.428 0.000 2.514 364 G HA2 -0.277 3.731 3.960 0.079 0.000 0.217 364 G HA3 -0.277 3.731 3.960 0.079 0.000 0.217 364 G C 1.418 176.170 174.900 -0.248 0.000 1.198 364 G CA 0.924 45.845 45.100 -0.299 0.000 0.780 364 G HN 0.163 nan 8.290 nan 0.000 0.565 365 I N 0.451 120.909 120.570 -0.187 0.000 2.208 365 I HA -0.183 4.035 4.170 0.079 0.000 0.245 365 I C 2.788 178.846 176.117 -0.098 0.000 1.097 365 I CA 0.748 61.981 61.300 -0.112 0.000 1.363 365 I CB -0.193 37.757 38.000 -0.084 0.000 1.051 365 I HN 0.141 nan 8.210 nan 0.000 0.413 366 L N -0.398 120.735 121.223 -0.150 0.000 2.046 366 L HA -0.268 4.120 4.340 0.079 0.000 0.208 366 L C 2.544 179.428 176.870 0.024 0.000 1.077 366 L CA 1.700 56.503 54.840 -0.063 0.000 0.747 366 L CB -0.852 41.169 42.059 -0.063 0.000 0.896 366 L HN 0.377 nan 8.230 nan 0.000 0.432 367 H N -0.262 118.734 119.070 -0.123 0.000 2.326 367 H HA -0.123 4.479 4.556 0.077 0.000 0.301 367 H C 2.279 177.530 175.328 -0.128 0.000 1.081 367 H CA 1.486 57.371 56.048 -0.273 0.000 1.334 367 H CB 0.034 29.306 29.762 -0.816 0.000 1.385 367 H HN 0.415 nan 8.280 nan 0.000 0.504 368 I N -0.102 120.474 120.570 0.010 0.000 3.059 368 I HA -0.043 4.175 4.170 0.079 0.000 0.270 368 I C 1.772 177.912 176.117 0.038 0.000 1.238 368 I CA 1.402 62.717 61.300 0.025 0.000 1.478 368 I CB -0.093 37.907 38.000 0.000 0.000 1.097 368 I HN 0.151 nan 8.210 nan 0.000 0.455 369 T N -1.085 113.489 114.554 0.033 0.000 3.040 369 T HA 0.493 4.891 4.350 0.079 0.000 0.250 369 T C 1.014 175.742 174.700 0.046 0.000 1.058 369 T CA 0.162 62.281 62.100 0.032 0.000 0.988 369 T CB -0.200 68.681 68.868 0.021 0.000 0.993 369 T HN 0.363 nan 8.240 nan 0.000 0.519 370 A N 1.835 124.700 122.820 0.075 0.000 2.483 370 A HA 0.328 4.695 4.320 0.079 0.000 0.238 370 A C 0.261 177.878 177.584 0.056 0.000 1.070 370 A CA -0.346 51.743 52.037 0.086 0.000 0.770 370 A CB -0.157 18.934 19.000 0.152 0.000 1.008 370 A HN 0.358 nan 8.150 nan 0.000 0.497 371 D N 1.005 121.419 120.400 0.024 0.000 2.346 371 D HA 0.142 4.830 4.640 0.079 0.000 0.260 371 D C -0.603 175.664 176.300 -0.054 0.000 1.252 371 D CA 0.059 54.047 54.000 -0.018 0.000 0.895 371 D CB 0.542 41.321 40.800 -0.037 0.000 1.097 371 D HN 0.438 nan 8.370 nan 0.000 0.489 372 D N 4.613 124.988 120.400 -0.042 0.000 2.416 372 D HA 0.081 4.769 4.640 0.079 0.000 0.240 372 D C -0.014 176.184 176.300 -0.170 0.000 1.250 372 D CA -0.185 53.778 54.000 -0.062 0.000 0.967 372 D CB -0.128 40.672 40.800 0.000 0.000 1.059 372 D HN 0.368 nan 8.370 nan 0.000 0.512 373 L N 2.402 123.412 121.223 -0.355 0.000 2.469 373 L HA 0.601 4.989 4.340 0.079 0.000 0.253 373 L C 1.748 178.351 176.870 -0.444 0.000 1.143 373 L CA -0.424 54.062 54.840 -0.590 0.000 0.804 373 L CB 0.482 41.785 42.059 -1.261 0.000 1.214 373 L HN 0.589 nan 8.230 nan 0.000 0.476 374 G N 0.755 109.384 108.800 -0.285 0.000 2.569 374 G HA2 -0.213 3.794 3.960 0.079 0.000 0.259 374 G HA3 -0.213 3.794 3.960 0.079 0.000 0.259 374 G C -2.582 172.307 174.900 -0.017 0.000 1.263 374 G CA -0.788 44.318 45.100 0.011 0.000 0.928 374 G HN 0.496 nan 8.290 nan 0.000 0.572 375 P HA 0.355 nan 4.420 nan 0.000 0.267 375 P C 0.490 177.785 177.300 -0.007 0.000 1.200 375 P CA 0.258 63.357 63.100 -0.001 0.000 0.772 375 P CB 0.171 31.873 31.700 0.004 0.000 0.855 376 T N 2.113 116.669 114.554 0.003 0.000 2.933 376 T HA 0.365 4.763 4.350 0.079 0.000 0.306 376 T C 0.739 175.461 174.700 0.037 0.000 1.045 376 T CA 1.320 63.429 62.100 0.014 0.000 1.143 376 T CB -0.482 68.399 68.868 0.021 0.000 1.003 376 T HN 0.900 nan 8.240 nan 0.000 0.540 377 G N 2.378 111.210 108.800 0.054 0.000 2.725 377 G HA2 -0.198 3.810 3.960 0.079 0.000 0.220 377 G HA3 -0.198 3.810 3.960 0.079 0.000 0.220 377 G C -0.467 174.475 174.900 0.070 0.000 1.357 377 G CA -0.437 44.726 45.100 0.104 0.000 0.866 377 G HN 0.964 nan 8.290 nan 0.000 0.548 378 W N 1.975 123.174 121.300 -0.169 0.000 2.343 378 W HA 0.420 5.124 4.660 0.073 0.000 0.337 378 W C 0.790 177.200 176.519 -0.181 0.000 1.320 378 W CA 1.263 58.380 57.345 -0.381 0.000 1.290 378 W CB 0.201 29.220 29.460 -0.735 0.000 1.206 378 W HN 0.925 nan 8.180 nan 0.000 0.565 379 D N 2.620 122.552 120.400 -0.781 0.000 2.559 379 D HA 0.546 5.234 4.640 0.079 0.000 0.250 379 D C 0.256 175.752 176.300 -1.339 0.000 1.135 379 D CA -0.360 53.225 54.000 -0.691 0.000 0.955 379 D CB 1.269 41.913 40.800 -0.260 0.000 1.442 379 D HN 0.308 nan 8.370 nan 0.000 0.471 380 A N 0.024 122.410 122.820 -0.723 0.000 2.168 380 A HA -0.049 4.318 4.320 0.079 0.000 0.215 380 A C 1.148 178.473 177.584 -0.431 0.000 1.152 380 A CA 1.152 52.879 52.037 -0.517 0.000 0.716 380 A CB -0.521 18.397 19.000 -0.137 0.000 0.794 380 A HN 0.571 nan 8.150 nan 0.000 0.465 381 D N -1.439 118.689 120.400 -0.453 0.000 2.232 381 D HA 0.017 4.705 4.640 0.079 0.000 0.220 381 D C 1.201 177.173 176.300 -0.546 0.000 0.982 381 D CA 1.243 54.939 54.000 -0.507 0.000 0.892 381 D CB -0.319 40.090 40.800 -0.651 0.000 1.040 381 D HN 0.568 nan 8.370 nan 0.000 0.463 382 Y N 0.580 120.679 120.300 -0.336 0.000 2.500 382 Y HA 0.283 4.879 4.550 0.077 0.000 0.270 382 Y C 1.765 177.461 175.900 -0.340 0.000 1.134 382 Y CA 0.233 58.173 58.100 -0.266 0.000 1.293 382 Y CB 0.380 38.718 38.460 -0.203 0.000 1.063 382 Y HN 0.049 nan 8.280 nan 0.000 0.534 383 G N 0.442 108.903 108.800 -0.563 0.000 2.547 383 G HA2 -0.401 3.607 3.960 0.079 0.000 0.271 383 G HA3 -0.401 3.607 3.960 0.079 0.000 0.271 383 G C 0.512 175.013 174.900 -0.664 0.000 1.209 383 G CA 0.571 45.166 45.100 -0.841 0.000 0.959 383 G HN 0.331 nan 8.290 nan 0.000 0.563 384 Y N 1.895 122.166 120.300 -0.050 0.000 2.352 384 Y HA 0.295 4.890 4.550 0.076 0.000 0.292 384 Y C 2.178 178.094 175.900 0.026 0.000 1.136 384 Y CA 2.483 60.624 58.100 0.068 0.000 1.227 384 Y CB -0.164 38.378 38.460 0.136 0.000 0.991 384 Y HN 1.579 nan 8.280 nan 0.000 0.545 385 G N -1.107 107.779 108.800 0.144 0.000 2.302 385 G HA2 0.024 4.032 3.960 0.079 0.000 0.276 385 G HA3 0.024 4.032 3.960 0.079 0.000 0.276 385 G C -1.740 173.218 174.900 0.097 0.000 1.316 385 G CA -0.777 44.362 45.100 0.065 0.000 0.988 385 G HN -0.162 nan 8.290 nan 0.000 0.479 386 V N 1.635 121.576 119.914 0.044 0.000 2.432 386 V HA 0.471 4.638 4.120 0.079 0.000 0.271 386 V C 1.426 177.560 176.094 0.066 0.000 1.046 386 V CA -0.002 62.335 62.300 0.060 0.000 0.945 386 V CB 0.709 32.553 31.823 0.034 0.000 0.992 386 V HN 1.545 nan 8.190 nan 0.000 0.471 387 V N 3.940 123.903 119.914 0.082 0.000 2.901 387 V HA 0.377 4.545 4.120 0.079 0.000 0.307 387 V C 0.215 176.341 176.094 0.053 0.000 1.084 387 V CA -0.257 62.091 62.300 0.080 0.000 1.184 387 V CB 0.018 31.897 31.823 0.094 0.000 0.941 387 V HN 0.917 nan 8.190 nan 0.000 0.493 388 R N 3.050 123.577 120.500 0.045 0.000 2.539 388 R HA 0.597 4.985 4.340 0.079 0.000 0.295 388 R C 0.746 177.059 176.300 0.023 0.000 1.138 388 R CA -0.024 56.092 56.100 0.026 0.000 0.936 388 R CB 1.742 32.053 30.300 0.018 0.000 1.182 388 R HN 0.926 nan 8.270 nan 0.000 0.459 389 A N 2.534 125.366 122.820 0.019 0.000 1.877 389 A HA -0.148 4.220 4.320 0.079 0.000 0.216 389 A C 2.124 179.712 177.584 0.006 0.000 1.186 389 A CA 1.995 54.045 52.037 0.022 0.000 0.620 389 A CB -0.333 18.683 19.000 0.028 0.000 0.822 389 A HN 0.769 nan 8.150 nan 0.000 0.443 390 A N -0.074 122.733 122.820 -0.022 0.000 1.873 390 A HA -0.148 4.220 4.320 0.079 0.000 0.218 390 A C 2.201 179.784 177.584 -0.003 0.000 1.193 390 A CA 1.751 53.772 52.037 -0.027 0.000 0.629 390 A CB -0.726 18.243 19.000 -0.051 0.000 0.826 390 A HN 0.487 nan 8.150 nan 0.000 0.447 391 L N -1.153 120.071 121.223 0.002 0.000 2.056 391 L HA -0.160 4.228 4.340 0.079 0.000 0.207 391 L C 3.146 180.027 176.870 0.020 0.000 1.078 391 L CA 1.002 55.848 54.840 0.011 0.000 0.749 391 L CB -0.780 41.285 42.059 0.010 0.000 0.901 391 L HN 0.476 nan 8.230 nan 0.000 0.433 392 A N 0.059 122.892 122.820 0.022 0.000 1.883 392 A HA -0.177 4.191 4.320 0.079 0.000 0.217 392 A C 2.349 179.957 177.584 0.041 0.000 1.186 392 A CA 2.022 54.073 52.037 0.025 0.000 0.624 392 A CB -0.901 18.113 19.000 0.024 0.000 0.822 392 A HN 0.190 nan 8.150 nan 0.000 0.444 393 V N -0.145 119.798 119.914 0.048 0.000 2.295 393 V HA -0.309 3.859 4.120 0.079 0.000 0.246 393 V C 2.713 178.851 176.094 0.073 0.000 1.049 393 V CA 2.274 64.616 62.300 0.071 0.000 1.024 393 V CB -0.816 31.045 31.823 0.064 0.000 0.648 393 V HN 0.709 nan 8.190 nan 0.000 0.447 394 Q N -0.387 119.442 119.800 0.048 0.000 2.077 394 Q HA -0.269 4.118 4.340 0.079 0.000 0.206 394 Q C 2.317 178.352 176.000 0.059 0.000 0.989 394 Q CA 2.183 58.013 55.803 0.045 0.000 0.853 394 Q CB -0.278 28.477 28.738 0.027 0.000 0.907 394 Q HN 0.663 nan 8.270 nan 0.000 0.418 395 A N 0.518 123.370 122.820 0.053 0.000 1.902 395 A HA -0.134 4.233 4.320 0.079 0.000 0.217 395 A C 2.229 179.866 177.584 0.088 0.000 1.181 395 A CA 1.743 53.812 52.037 0.053 0.000 0.623 395 A CB -0.850 18.168 19.000 0.029 0.000 0.818 395 A HN 0.529 nan 8.150 nan 0.000 0.443 396 A N -0.581 122.308 122.820 0.116 0.000 1.930 396 A HA 0.049 4.416 4.320 0.079 0.000 0.217 396 A C 2.018 179.810 177.584 0.348 0.000 1.175 396 A CA 1.416 53.578 52.037 0.208 0.000 0.627 396 A CB -0.435 18.692 19.000 0.212 0.000 0.815 396 A HN 0.466 nan 8.150 nan 0.000 0.443 397 L N -1.097 120.272 121.223 0.245 0.000 2.529 397 L HA 0.173 4.561 4.340 0.079 0.000 0.223 397 L C 1.539 178.520 176.870 0.184 0.000 1.113 397 L CA 0.032 55.007 54.840 0.225 0.000 0.861 397 L CB -0.322 41.795 42.059 0.097 0.000 1.012 397 L HN 0.434 nan 8.230 nan 0.000 0.461 398 G N 0.000 108.885 108.800 0.142 0.000 5.446 398 G HA2 0.000 4.008 3.960 0.079 0.000 0.244 398 G HA3 0.000 4.008 3.960 0.079 0.000 0.244 398 G CA 0.000 45.160 45.100 0.099 0.000 0.502 398 G HN 0.000 nan 8.290 nan 0.000 0.925