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 1c4r_1_A DATA FIRST_RESID 82 DATA SEQUENCE HAGTTYIFSK GGGQITYKWP PNDRPSTRAD RLAIGFSTVQ KEAVLVRVDS DATA SEQUENCE SSGLGDYLEL HIHQGKIGVK FNVGTDDIAI EESNAIINDG KYHVVRFTRS DATA SEQUENCE GGNATLQVDS WPVIERYPAX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXG DATA SEQUENCE RQLTIFNSQA TIIIGGKEQG QPFQGQLSGL YYNGLKVLNM AAENDANIAI DATA SEQUENCE VGNVRLVGEV 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 82 H HA 0.000 nan 4.556 nan 0.000 0.296 82 H C 0.000 175.227 175.328 -0.168 0.000 0.993 82 H CA 0.000 55.815 56.048 -0.388 0.000 1.023 82 H CB 0.000 29.693 29.762 -0.115 0.000 1.292 83 A N 0.754 123.575 122.820 0.000 0.000 2.271 83 A HA 0.767 5.087 4.320 -0.000 0.000 0.288 83 A C 1.141 178.769 177.584 0.073 0.000 1.094 83 A CA 0.536 52.586 52.037 0.021 0.000 0.828 83 A CB 0.330 19.335 19.000 0.009 0.000 1.091 83 A HN 1.044 nan 8.150 nan 0.000 0.493 84 G N -0.276 108.551 108.800 0.046 0.000 2.569 84 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.259 84 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.259 84 G C 0.174 175.103 174.900 0.048 0.000 1.263 84 G CA 0.040 45.172 45.100 0.054 0.000 0.928 84 G HN 1.435 nan 8.290 nan 0.000 0.572 85 T N 1.478 116.071 114.554 0.064 0.000 2.884 85 T HA 0.570 4.920 4.350 -0.000 0.000 0.298 85 T C 0.349 175.093 174.700 0.073 0.000 0.998 85 T CA 1.024 63.151 62.100 0.046 0.000 1.124 85 T CB 0.997 69.922 68.868 0.095 0.000 0.931 85 T HN 0.813 nan 8.240 nan 0.000 0.531 86 T N 2.717 117.249 114.554 -0.037 0.000 2.900 86 T HA 0.601 4.951 4.350 -0.000 0.000 0.295 86 T C -1.411 173.200 174.700 -0.148 0.000 1.044 86 T CA -0.516 61.573 62.100 -0.018 0.000 0.995 86 T CB 1.039 69.845 68.868 -0.103 0.000 1.072 86 T HN 0.461 nan 8.240 nan 0.000 0.473 87 Y N 0.510 120.828 120.300 0.030 0.000 2.553 87 Y HA 0.679 5.228 4.550 -0.000 0.000 0.347 87 Y C -0.359 175.581 175.900 0.068 0.000 1.019 87 Y CA -1.145 56.950 58.100 -0.009 0.000 1.032 87 Y CB 1.615 40.042 38.460 -0.055 0.000 1.284 87 Y HN 0.457 nan 8.280 nan 0.000 0.466 88 I N 2.953 123.585 120.570 0.103 0.000 2.433 88 I HA 0.364 4.534 4.170 -0.000 0.000 0.292 88 I C -1.405 174.749 176.117 0.063 0.000 1.001 88 I CA -0.693 60.713 61.300 0.177 0.000 1.119 88 I CB 1.390 39.436 38.000 0.076 0.000 1.289 88 I HN 0.350 nan 8.210 nan 0.000 0.438 89 F N 3.584 123.648 119.950 0.191 0.000 2.444 89 F HA 0.513 5.040 4.527 -0.000 0.000 0.342 89 F C 0.410 176.255 175.800 0.076 0.000 1.121 89 F CA -0.326 57.772 58.000 0.163 0.000 0.997 89 F CB 1.823 40.989 39.000 0.277 0.000 1.130 89 F HN 0.313 nan 8.300 nan 0.000 0.454 90 S N 1.093 116.894 115.700 0.169 0.000 2.715 90 S HA 0.453 4.923 4.470 -0.000 0.000 0.307 90 S C -0.932 173.714 174.600 0.077 0.000 1.119 90 S CA -1.416 56.840 58.200 0.094 0.000 0.937 90 S CB 1.307 64.539 63.200 0.053 0.000 1.150 90 S HN 0.417 nan 8.310 nan 0.000 0.521 91 K N 1.070 121.497 120.400 0.046 0.000 2.427 91 K HA 0.078 4.398 4.320 -0.000 0.000 0.262 91 K C 1.139 177.765 176.600 0.043 0.000 1.094 91 K CA 1.095 57.404 56.287 0.036 0.000 1.184 91 K CB -0.663 31.851 32.500 0.024 0.000 0.796 91 K HN 1.020 nan 8.250 nan 0.000 0.491 92 G N 1.567 110.395 108.800 0.047 0.000 2.259 92 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.217 92 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.217 92 G C 0.459 175.403 174.900 0.072 0.000 1.001 92 G CA -0.121 45.008 45.100 0.049 0.000 0.627 92 G HN 1.325 nan 8.290 nan 0.000 0.501 93 G N -0.904 107.961 108.800 0.108 0.000 2.755 93 G HA2 0.525 4.485 3.960 -0.000 0.000 0.686 93 G HA3 0.525 4.485 3.960 -0.000 0.000 0.686 93 G C 0.576 175.584 174.900 0.181 0.000 1.427 93 G CA 0.720 45.923 45.100 0.171 0.000 0.873 93 G HN 2.269 nan 8.290 nan 0.000 0.580 94 G N -0.937 108.045 108.800 0.303 0.000 2.827 94 G HA2 0.909 4.869 3.960 -0.000 0.000 0.296 94 G HA3 0.909 4.869 3.960 -0.000 0.000 0.296 94 G C -0.868 174.218 174.900 0.311 0.000 1.362 94 G CA 0.586 45.817 45.100 0.219 0.000 0.809 94 G HN 1.291 nan 8.290 nan 0.000 0.522 95 Q N -0.784 119.137 119.800 0.201 0.000 2.378 95 Q HA 0.473 4.813 4.340 -0.000 0.000 0.262 95 Q C -1.968 174.081 176.000 0.082 0.000 0.978 95 Q CA -0.576 55.345 55.803 0.196 0.000 0.918 95 Q CB 2.168 30.967 28.738 0.101 0.000 1.415 95 Q HN 0.509 nan 8.270 nan 0.000 0.409 96 I N 2.950 123.568 120.570 0.080 0.000 2.382 96 I HA 0.395 4.565 4.170 -0.000 0.000 0.286 96 I C -0.681 175.422 176.117 -0.023 0.000 1.002 96 I CA -0.491 60.786 61.300 -0.039 0.000 1.135 96 I CB 2.125 40.047 38.000 -0.130 0.000 1.288 96 I HN 0.513 nan 8.210 nan 0.000 0.448 97 T N 5.427 119.964 114.554 -0.029 0.000 2.786 97 T HA 0.309 4.659 4.350 -0.000 0.000 0.283 97 T C -0.998 173.685 174.700 -0.028 0.000 0.992 97 T CA -0.397 61.687 62.100 -0.027 0.000 0.954 97 T CB 0.811 69.658 68.868 -0.035 0.000 0.934 97 T HN 0.288 nan 8.240 nan 0.000 0.440 98 Y N 3.250 123.448 120.300 -0.169 0.000 2.331 98 Y HA 0.511 5.061 4.550 -0.000 0.000 0.338 98 Y C -0.210 175.542 175.900 -0.246 0.000 0.976 98 Y CA -0.918 57.037 58.100 -0.243 0.000 1.137 98 Y CB 0.747 38.992 38.460 -0.357 0.000 1.172 98 Y HN 0.413 nan 8.280 nan 0.000 0.478 99 K N 6.614 126.461 120.400 -0.922 0.000 2.307 99 K HA 0.173 4.493 4.320 -0.000 0.000 0.263 99 K C -0.972 175.149 176.600 -0.799 0.000 0.973 99 K CA -0.669 55.245 56.287 -0.622 0.000 0.846 99 K CB 1.105 33.434 32.500 -0.284 0.000 1.100 99 K HN 0.631 nan 8.250 nan 0.000 0.438 100 W N 4.865 125.855 121.300 -0.516 0.000 2.190 100 W HA 0.088 4.748 4.660 -0.000 0.000 0.330 100 W C -1.811 174.601 176.519 -0.177 0.000 1.299 100 W CA -1.664 55.516 57.345 -0.274 0.000 1.215 100 W CB 0.396 29.814 29.460 -0.069 0.000 1.147 100 W HN 0.334 nan 8.180 nan 0.000 0.563 101 P HA -0.007 nan 4.420 nan 0.000 0.266 101 P C -1.952 175.385 177.300 0.063 0.000 1.195 101 P CA -0.553 62.579 63.100 0.054 0.000 0.768 101 P CB 0.344 32.078 31.700 0.057 0.000 0.838 102 P HA -0.229 nan 4.420 nan 0.000 0.220 102 P C 0.632 177.934 177.300 0.003 0.000 1.155 102 P CA 1.913 65.021 63.100 0.013 0.000 0.880 102 P CB -0.308 31.394 31.700 0.004 0.000 0.790 103 N N -1.949 116.755 118.700 0.007 0.000 2.268 103 N HA 0.038 4.778 4.740 -0.000 0.000 0.204 103 N C -0.176 175.327 175.510 -0.011 0.000 1.124 103 N CA 0.174 53.221 53.050 -0.006 0.000 0.838 103 N CB -0.009 38.477 38.487 -0.002 0.000 0.994 103 N HN 0.157 nan 8.380 nan 0.000 0.489 104 D N -0.326 120.076 120.400 0.003 0.000 2.593 104 D HA 0.125 4.764 4.640 -0.000 0.000 0.241 104 D C -0.415 175.808 176.300 -0.128 0.000 1.257 104 D CA -0.225 53.771 54.000 -0.005 0.000 0.828 104 D CB 0.497 41.356 40.800 0.098 0.000 1.049 104 D HN 0.031 nan 8.370 nan 0.000 0.490 105 R N 2.372 122.754 120.500 -0.196 0.000 2.351 105 R HA 0.224 4.564 4.340 -0.000 0.000 0.318 105 R C -2.177 173.839 176.300 -0.472 0.000 1.055 105 R CA -1.097 54.743 56.100 -0.433 0.000 0.968 105 R CB 0.339 30.473 30.300 -0.277 0.000 0.974 105 R HN 0.115 nan 8.270 nan 0.000 0.439 106 P HA 0.131 nan 4.420 nan 0.000 0.277 106 P C -0.857 176.190 177.300 -0.422 0.000 1.240 106 P CA -0.459 62.358 63.100 -0.473 0.000 0.798 106 P CB 1.446 32.861 31.700 -0.474 0.000 0.979 107 S N 0.307 115.853 115.700 -0.257 0.000 2.561 107 S HA 0.604 5.074 4.470 -0.000 0.000 0.303 107 S C -0.195 174.334 174.600 -0.118 0.000 1.110 107 S CA -0.425 57.668 58.200 -0.178 0.000 1.034 107 S CB 1.284 64.420 63.200 -0.106 0.000 1.010 107 S HN 0.693 nan 8.310 nan 0.000 0.482 108 T N 0.133 114.647 114.554 -0.067 0.000 2.906 108 T HA 0.551 4.901 4.350 -0.000 0.000 0.295 108 T C 0.408 175.122 174.700 0.025 0.000 1.061 108 T CA -1.030 61.053 62.100 -0.029 0.000 1.000 108 T CB 1.703 70.546 68.868 -0.042 0.000 1.103 108 T HN 0.449 nan 8.240 nan 0.000 0.486 109 R N 0.373 120.874 120.500 0.002 0.000 2.237 109 R HA 0.540 4.880 4.340 -0.000 0.000 0.195 109 R C 0.659 176.951 176.300 -0.014 0.000 0.956 109 R CA 0.279 56.382 56.100 0.005 0.000 1.029 109 R CB 0.503 30.800 30.300 -0.005 0.000 0.972 109 R HN 0.797 nan 8.270 nan 0.000 0.493 110 A N 0.933 123.737 122.820 -0.026 0.000 2.449 110 A HA 0.501 4.821 4.320 -0.000 0.000 0.302 110 A C -1.662 175.890 177.584 -0.052 0.000 1.048 110 A CA -0.863 51.138 52.037 -0.059 0.000 0.708 110 A CB 1.597 20.555 19.000 -0.068 0.000 1.274 110 A HN -0.060 nan 8.150 nan 0.000 0.410 111 D N 1.216 121.576 120.400 -0.066 0.000 2.619 111 D HA 0.505 5.145 4.640 -0.000 0.000 0.241 111 D C -0.816 175.466 176.300 -0.029 0.000 1.087 111 D CA -0.430 53.558 54.000 -0.019 0.000 0.851 111 D CB 1.819 42.730 40.800 0.185 0.000 1.474 111 D HN 0.443 nan 8.370 nan 0.000 0.478 112 R N 1.546 122.042 120.500 -0.007 0.000 2.409 112 R HA 0.522 4.862 4.340 -0.000 0.000 0.313 112 R C -1.029 175.425 176.300 0.257 0.000 0.953 112 R CA -0.944 55.221 56.100 0.108 0.000 0.849 112 R CB 1.915 32.326 30.300 0.185 0.000 1.171 112 R HN 0.321 nan 8.270 nan 0.000 0.458 113 L N 1.737 123.180 121.223 0.366 0.000 2.409 113 L HA 0.770 5.110 4.340 -0.000 0.000 0.272 113 L C -1.362 175.696 176.870 0.313 0.000 0.980 113 L CA -0.315 54.778 54.840 0.422 0.000 0.826 113 L CB 2.015 44.345 42.059 0.451 0.000 1.268 113 L HN 0.787 nan 8.230 nan 0.000 0.407 114 A N 5.902 128.901 122.820 0.299 0.000 2.449 114 A HA 0.884 5.204 4.320 -0.000 0.000 0.302 114 A C -1.468 176.223 177.584 0.179 0.000 1.048 114 A CA -0.475 51.681 52.037 0.198 0.000 0.708 114 A CB 1.326 20.410 19.000 0.141 0.000 1.274 114 A HN 0.866 nan 8.150 nan 0.000 0.410 115 I N 1.004 121.656 120.570 0.136 0.000 2.842 115 I HA 0.642 4.812 4.170 -0.000 0.000 0.297 115 I C -0.031 176.182 176.117 0.160 0.000 1.380 115 I CA -0.508 60.876 61.300 0.140 0.000 1.018 115 I CB 2.142 40.191 38.000 0.083 0.000 1.311 115 I HN 0.861 nan 8.210 nan 0.000 0.439 116 G N 5.339 114.248 108.800 0.181 0.000 2.367 116 G HA2 0.678 4.638 3.960 -0.000 0.000 0.314 116 G HA3 0.678 4.638 3.960 -0.000 0.000 0.314 116 G C -1.322 173.729 174.900 0.252 0.000 1.130 116 G CA -0.382 44.751 45.100 0.056 0.000 0.864 116 G HN 0.651 nan 8.290 nan 0.000 0.486 117 F N -0.116 119.797 119.950 -0.061 0.000 2.711 117 F HA 0.826 5.353 4.527 -0.000 0.000 0.313 117 F C -0.562 175.383 175.800 0.241 0.000 1.141 117 F CA -1.286 56.847 58.000 0.222 0.000 0.941 117 F CB 1.791 40.856 39.000 0.108 0.000 1.349 117 F HN 0.722 nan 8.300 nan 0.000 0.464 118 S N 0.552 116.572 115.700 0.533 0.000 2.562 118 S HA 0.747 5.217 4.470 -0.000 0.000 0.274 118 S C -1.063 173.803 174.600 0.444 0.000 1.160 118 S CA -0.069 58.331 58.200 0.333 0.000 0.933 118 S CB 1.316 64.701 63.200 0.309 0.000 1.100 118 S HN 1.501 nan 8.310 nan 0.000 0.468 119 T N -0.282 114.471 114.554 0.331 0.000 2.722 119 T HA 0.513 4.863 4.350 -0.000 0.000 0.314 119 T C -0.408 174.375 174.700 0.139 0.000 1.675 119 T CA 0.101 62.284 62.100 0.139 0.000 1.003 119 T CB 0.972 69.872 68.868 0.054 0.000 1.602 119 T HN 1.794 nan 8.240 nan 0.000 0.496 120 V N -0.355 119.590 119.914 0.050 0.000 3.432 120 V HA 0.493 4.613 4.120 -0.000 0.000 0.298 120 V C 0.547 176.664 176.094 0.038 0.000 1.464 120 V CA -0.124 62.214 62.300 0.063 0.000 1.046 120 V CB -0.276 31.573 31.823 0.043 0.000 0.887 120 V HN 0.785 nan 8.190 nan 0.000 0.441 121 Q N 1.226 121.030 119.800 0.006 0.000 2.392 121 Q HA 0.259 4.599 4.340 -0.000 0.000 0.262 121 Q C 0.714 176.732 176.000 0.031 0.000 1.003 121 Q CA -0.025 55.776 55.803 -0.004 0.000 0.888 121 Q CB 1.082 29.792 28.738 -0.047 0.000 1.260 121 Q HN 0.223 nan 8.270 nan 0.000 0.435 122 K N 1.110 121.519 120.400 0.015 0.000 2.166 122 K HA 0.071 4.391 4.320 -0.000 0.000 0.201 122 K C -0.052 176.556 176.600 0.013 0.000 1.052 122 K CA 0.976 57.267 56.287 0.007 0.000 0.969 122 K CB 0.550 33.039 32.500 -0.018 0.000 0.761 122 K HN 0.549 nan 8.250 nan 0.000 0.459 123 E N 0.235 120.448 120.200 0.022 0.000 2.222 123 E HA 0.629 4.978 4.350 -0.000 0.000 0.267 123 E C -1.006 175.623 176.600 0.049 0.000 0.884 123 E CA -0.700 55.726 56.400 0.044 0.000 0.764 123 E CB 2.245 31.972 29.700 0.044 0.000 1.169 123 E HN 0.110 nan 8.360 nan 0.000 0.413 124 A N 1.404 124.263 122.820 0.065 0.000 2.571 124 A HA 0.385 4.705 4.320 -0.000 0.000 0.296 124 A C -1.600 176.035 177.584 0.085 0.000 1.005 124 A CA -0.658 51.432 52.037 0.089 0.000 0.682 124 A CB 0.923 20.021 19.000 0.163 0.000 1.292 124 A HN 0.232 nan 8.150 nan 0.000 0.420 125 V N 3.489 123.437 119.914 0.057 0.000 2.384 125 V HA 0.350 4.469 4.120 -0.000 0.000 0.287 125 V C 0.861 176.902 176.094 -0.089 0.000 1.020 125 V CA -0.412 61.896 62.300 0.014 0.000 0.850 125 V CB 1.228 33.054 31.823 0.006 0.000 0.987 125 V HN 0.836 nan 8.190 nan 0.000 0.436 126 L N 4.505 125.604 121.223 -0.207 0.000 2.121 126 L HA 0.292 4.632 4.340 -0.000 0.000 0.200 126 L C 0.253 176.914 176.870 -0.348 0.000 1.077 126 L CA 1.227 55.800 54.840 -0.444 0.000 0.766 126 L CB 0.051 41.774 42.059 -0.560 0.000 0.931 126 L HN 0.396 nan 8.230 nan 0.000 0.452 127 V N 0.007 119.768 119.914 -0.255 0.000 2.709 127 V HA 0.482 4.602 4.120 -0.000 0.000 0.308 127 V C -0.548 175.457 176.094 -0.148 0.000 1.062 127 V CA -0.720 61.460 62.300 -0.199 0.000 0.901 127 V CB 2.647 34.351 31.823 -0.198 0.000 1.003 127 V HN 0.272 nan 8.190 nan 0.000 0.425 128 R N 2.617 123.053 120.500 -0.106 0.000 2.533 128 R HA 0.745 5.085 4.340 -0.000 0.000 0.288 128 R C -2.093 174.203 176.300 -0.007 0.000 1.039 128 R CA -0.398 55.677 56.100 -0.042 0.000 0.909 128 R CB 2.211 32.505 30.300 -0.009 0.000 1.195 128 R HN 0.548 nan 8.270 nan 0.000 0.438 129 V N 4.341 124.289 119.914 0.057 0.000 2.370 129 V HA 0.363 4.483 4.120 -0.000 0.000 0.283 129 V C -0.396 175.930 176.094 0.387 0.000 1.023 129 V CA -0.563 61.840 62.300 0.172 0.000 0.857 129 V CB 1.524 33.442 31.823 0.158 0.000 0.985 129 V HN 0.752 nan 8.190 nan 0.000 0.443 130 D N 2.391 122.975 120.400 0.308 0.000 2.248 130 D HA 0.456 5.096 4.640 -0.000 0.000 0.246 130 D C 0.048 176.512 176.300 0.272 0.000 1.027 130 D CA -0.097 54.091 54.000 0.314 0.000 0.853 130 D CB 2.387 43.293 40.800 0.177 0.000 1.243 130 D HN 0.626 nan 8.370 nan 0.000 0.462 131 S N 0.302 116.190 115.700 0.312 0.000 2.645 131 S HA 0.384 4.854 4.470 -0.000 0.000 0.266 131 S C 0.573 175.234 174.600 0.103 0.000 1.258 131 S CA -0.776 57.529 58.200 0.174 0.000 0.990 131 S CB 0.860 64.216 63.200 0.261 0.000 0.967 131 S HN 0.434 nan 8.310 nan 0.000 0.556 132 S N 1.097 116.823 115.700 0.044 0.000 2.596 132 S HA 0.284 4.754 4.470 -0.000 0.000 0.260 132 S C 0.225 174.851 174.600 0.044 0.000 1.336 132 S CA -0.788 57.432 58.200 0.035 0.000 0.993 132 S CB -0.231 62.972 63.200 0.006 0.000 0.923 132 S HN 0.753 nan 8.310 nan 0.000 0.567 133 S N 0.901 116.621 115.700 0.032 0.000 2.558 133 S HA 0.457 4.927 4.470 -0.000 0.000 0.288 133 S C 1.504 176.121 174.600 0.028 0.000 1.318 133 S CA 0.381 58.599 58.200 0.029 0.000 1.056 133 S CB 0.042 63.252 63.200 0.018 0.000 0.853 133 S HN 1.604 nan 8.310 nan 0.000 0.505 134 G N 1.689 110.507 108.800 0.030 0.000 2.284 134 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 134 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 134 G C -0.118 174.806 174.900 0.040 0.000 1.009 134 G CA -0.284 44.833 45.100 0.028 0.000 0.625 134 G HN 0.572 nan 8.290 nan 0.000 0.501 135 L N 0.639 121.896 121.223 0.056 0.000 2.344 135 L HA 0.690 5.030 4.340 -0.000 0.000 0.272 135 L C 1.645 178.576 176.870 0.102 0.000 1.035 135 L CA -0.154 54.732 54.840 0.078 0.000 0.807 135 L CB 1.739 43.854 42.059 0.093 0.000 1.237 135 L HN 0.140 nan 8.230 nan 0.000 0.442 136 G N -0.721 108.147 108.800 0.113 0.000 3.088 136 G HA2 0.003 3.963 3.960 -0.000 0.000 0.217 136 G HA3 0.003 3.963 3.960 -0.000 0.000 0.217 136 G C 0.094 175.132 174.900 0.230 0.000 1.159 136 G CA -0.251 44.937 45.100 0.146 0.000 0.760 136 G HN 0.582 nan 8.290 nan 0.000 0.550 137 D N 0.561 121.085 120.400 0.206 0.000 2.493 137 D HA 0.379 5.019 4.640 -0.000 0.000 0.240 137 D C -0.073 176.394 176.300 0.278 0.000 1.142 137 D CA 0.535 54.644 54.000 0.180 0.000 0.872 137 D CB 0.483 41.466 40.800 0.304 0.000 1.173 137 D HN 0.527 nan 8.370 nan 0.000 0.467 138 Y N -0.346 119.853 120.300 -0.168 0.000 2.750 138 Y HA 0.604 5.154 4.550 -0.000 0.000 0.335 138 Y C -2.331 173.352 175.900 -0.361 0.000 1.252 138 Y CA -1.551 56.461 58.100 -0.147 0.000 1.064 138 Y CB 0.996 39.450 38.460 -0.011 0.000 1.321 138 Y HN 0.210 nan 8.280 nan 0.000 0.451 139 L N 2.158 123.293 121.223 -0.147 0.000 2.516 139 L HA 0.601 4.941 4.340 -0.000 0.000 0.267 139 L C -1.641 175.226 176.870 -0.006 0.000 0.957 139 L CA -0.656 54.052 54.840 -0.219 0.000 0.860 139 L CB 2.091 44.022 42.059 -0.213 0.000 1.265 139 L HN 0.911 nan 8.230 nan 0.000 0.403 140 E N 4.107 124.270 120.200 -0.061 0.000 2.241 140 E HA 0.438 4.788 4.350 -0.000 0.000 0.263 140 E C -1.859 174.521 176.600 -0.366 0.000 0.882 140 E CA -0.845 55.501 56.400 -0.091 0.000 0.769 140 E CB 1.948 31.709 29.700 0.102 0.000 1.185 140 E HN 0.639 nan 8.360 nan 0.000 0.415 141 L N 6.600 127.620 121.223 -0.339 0.000 2.276 141 L HA 0.424 4.764 4.340 -0.000 0.000 0.286 141 L C -0.828 175.864 176.870 -0.297 0.000 1.061 141 L CA 0.166 54.767 54.840 -0.397 0.000 0.807 141 L CB 0.490 42.368 42.059 -0.302 0.000 1.177 141 L HN 0.640 nan 8.230 nan 0.000 0.429 142 H N 3.306 122.286 119.070 -0.150 0.000 2.990 142 H HA 0.568 5.124 4.556 -0.000 0.000 0.336 142 H C -1.355 173.920 175.328 -0.088 0.000 1.306 142 H CA -1.285 54.693 56.048 -0.116 0.000 1.118 142 H CB 1.358 31.078 29.762 -0.069 0.000 1.856 142 H HN 0.464 nan 8.280 nan 0.000 0.538 143 I N 1.731 122.398 120.570 0.161 0.000 2.389 143 I HA 0.165 4.335 4.170 -0.000 0.000 0.288 143 I C -1.022 175.166 176.117 0.118 0.000 0.999 143 I CA -0.395 60.970 61.300 0.109 0.000 1.129 143 I CB 1.529 39.564 38.000 0.059 0.000 1.288 143 I HN 0.549 nan 8.210 nan 0.000 0.444 144 H N 5.977 125.042 119.070 -0.010 0.000 2.609 144 H HA 0.298 4.854 4.556 -0.000 0.000 0.344 144 H C -0.741 174.581 175.328 -0.009 0.000 1.040 144 H CA -0.503 55.510 56.048 -0.058 0.000 1.216 144 H CB 1.082 30.768 29.762 -0.128 0.000 1.529 144 H HN 0.538 nan 8.280 nan 0.000 0.519 145 Q N 3.777 123.377 119.800 -0.335 0.000 2.439 145 Q HA -0.241 4.099 4.340 -0.000 0.000 0.325 145 Q C 0.984 176.933 176.000 -0.084 0.000 1.372 145 Q CA 0.930 56.578 55.803 -0.258 0.000 0.909 145 Q CB -1.657 26.860 28.738 -0.367 0.000 1.167 145 Q HN 1.262 nan 8.270 nan 0.000 0.418 146 G N -0.368 108.422 108.800 -0.017 0.000 2.196 146 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.268 146 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.268 146 G C 0.006 174.951 174.900 0.076 0.000 0.975 146 G CA 1.005 46.131 45.100 0.044 0.000 0.648 146 G HN 0.376 nan 8.290 nan 0.000 0.538 147 K N -0.141 120.300 120.400 0.068 0.000 2.235 147 K HA 0.637 4.956 4.320 -0.000 0.000 0.266 147 K C -0.201 176.469 176.600 0.116 0.000 0.980 147 K CA -1.057 55.291 56.287 0.102 0.000 0.849 147 K CB 2.220 34.777 32.500 0.095 0.000 1.098 147 K HN 0.150 nan 8.250 nan 0.000 0.445 148 I N 2.000 122.630 120.570 0.101 0.000 2.496 148 I HA 0.338 4.508 4.170 -0.000 0.000 0.285 148 I C 0.114 176.276 176.117 0.074 0.000 1.080 148 I CA 0.822 62.149 61.300 0.045 0.000 1.404 148 I CB 0.637 38.630 38.000 -0.011 0.000 1.403 148 I HN 0.735 nan 8.210 nan 0.000 0.539 149 G N 5.459 114.297 108.800 0.063 0.000 2.660 149 G HA2 0.640 4.600 3.960 -0.000 0.000 0.290 149 G HA3 0.640 4.600 3.960 -0.000 0.000 0.290 149 G C -2.044 172.701 174.900 -0.258 0.000 1.432 149 G CA -0.579 44.535 45.100 0.024 0.000 0.807 149 G HN 0.491 nan 8.290 nan 0.000 0.485 150 V N 0.250 120.016 119.914 -0.246 0.000 2.656 150 V HA 0.699 4.819 4.120 -0.000 0.000 0.307 150 V C -0.334 175.609 176.094 -0.252 0.000 1.051 150 V CA -0.848 61.186 62.300 -0.444 0.000 0.893 150 V CB 1.937 33.392 31.823 -0.613 0.000 0.999 150 V HN 0.835 nan 8.190 nan 0.000 0.426 151 K N 4.523 124.759 120.400 -0.273 0.000 2.397 151 K HA 0.741 5.061 4.320 -0.000 0.000 0.253 151 K C -1.524 174.986 176.600 -0.149 0.000 0.932 151 K CA -0.469 55.757 56.287 -0.101 0.000 0.795 151 K CB 1.803 34.361 32.500 0.096 0.000 1.159 151 K HN 0.600 nan 8.250 nan 0.000 0.424 152 F N 0.641 120.346 119.950 -0.408 0.000 2.675 152 F HA 0.627 5.154 4.527 -0.000 0.000 0.324 152 F C -1.354 174.021 175.800 -0.708 0.000 1.106 152 F CA -1.021 56.543 58.000 -0.727 0.000 0.970 152 F CB 1.623 40.321 39.000 -0.503 0.000 1.385 152 F HN 0.386 nan 8.300 nan 0.000 0.489 153 N N 0.643 118.963 118.700 -0.634 0.000 2.455 153 N HA 0.378 5.118 4.740 -0.000 0.000 0.285 153 N C -1.251 174.135 175.510 -0.205 0.000 1.080 153 N CA -0.412 52.403 53.050 -0.392 0.000 0.932 153 N CB 2.479 40.764 38.487 -0.336 0.000 1.610 153 N HN 0.941 nan 8.380 nan 0.000 0.493 154 V N 1.027 120.915 119.914 -0.043 0.000 2.915 154 V HA 0.661 4.781 4.120 -0.000 0.000 0.364 154 V C 1.053 177.169 176.094 0.035 0.000 1.354 154 V CA 0.491 62.796 62.300 0.008 0.000 1.213 154 V CB 0.021 31.884 31.823 0.067 0.000 1.268 154 V HN 0.879 nan 8.190 nan 0.000 0.557 155 G N 0.179 108.990 108.800 0.018 0.000 2.481 155 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.200 155 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.200 155 G C 0.470 175.379 174.900 0.014 0.000 1.012 155 G CA 0.417 45.535 45.100 0.029 0.000 0.676 155 G HN 0.550 nan 8.290 nan 0.000 0.488 156 T N 1.153 115.707 114.554 -0.001 0.000 2.757 156 T HA 0.404 4.753 4.350 -0.000 0.000 0.179 156 T C 0.270 174.952 174.700 -0.030 0.000 0.705 156 T CA 0.540 62.635 62.100 -0.009 0.000 1.952 156 T CB 0.084 68.948 68.868 -0.006 0.000 2.670 156 T HN 0.289 nan 8.240 nan 0.000 0.404 157 D N 1.606 121.971 120.400 -0.058 0.000 2.387 157 D HA 0.317 4.957 4.640 -0.000 0.000 0.255 157 D C -1.002 175.209 176.300 -0.148 0.000 1.081 157 D CA -0.397 53.555 54.000 -0.079 0.000 0.994 157 D CB 0.696 41.450 40.800 -0.077 0.000 1.127 157 D HN 0.221 nan 8.370 nan 0.000 0.513 158 D N 0.793 121.111 120.400 -0.136 0.000 2.317 158 D HA 0.286 4.926 4.640 -0.000 0.000 0.252 158 D C -0.089 176.025 176.300 -0.310 0.000 1.174 158 D CA 0.075 53.956 54.000 -0.199 0.000 0.866 158 D CB 0.797 41.557 40.800 -0.067 0.000 1.127 158 D HN 0.165 nan 8.370 nan 0.000 0.467 159 I N 1.743 121.952 120.570 -0.601 0.000 2.377 159 I HA 0.502 4.672 4.170 -0.000 0.000 0.293 159 I C 0.082 175.888 176.117 -0.517 0.000 0.987 159 I CA -0.783 60.119 61.300 -0.662 0.000 1.185 159 I CB 1.686 39.012 38.000 -1.123 0.000 1.341 159 I HN 0.265 nan 8.210 nan 0.000 0.455 160 A N 7.670 130.356 122.820 -0.224 0.000 2.355 160 A HA 0.857 5.177 4.320 -0.000 0.000 0.317 160 A C -1.032 176.561 177.584 0.016 0.000 1.094 160 A CA -0.536 51.458 52.037 -0.071 0.000 0.764 160 A CB 1.608 20.597 19.000 -0.018 0.000 1.230 160 A HN 0.743 nan 8.150 nan 0.000 0.448 161 I N 1.419 122.038 120.570 0.082 0.000 2.607 161 I HA 0.585 4.755 4.170 -0.000 0.000 0.290 161 I C -0.961 175.226 176.117 0.116 0.000 1.129 161 I CA -0.210 61.162 61.300 0.119 0.000 1.042 161 I CB 1.764 39.880 38.000 0.194 0.000 1.242 161 I HN 0.945 nan 8.210 nan 0.000 0.421 162 E N 5.430 125.697 120.200 0.112 0.000 2.390 162 E HA 0.296 4.646 4.350 -0.000 0.000 0.277 162 E C -1.632 175.042 176.600 0.123 0.000 0.939 162 E CA -0.687 55.784 56.400 0.118 0.000 0.769 162 E CB 1.961 31.738 29.700 0.128 0.000 1.251 162 E HN 0.491 nan 8.360 nan 0.000 0.450 163 E N 1.869 122.150 120.200 0.136 0.000 2.026 163 E HA 0.154 4.504 4.350 -0.000 0.000 0.253 163 E C -0.330 176.370 176.600 0.167 0.000 1.056 163 E CA -0.154 56.348 56.400 0.170 0.000 0.927 163 E CB 0.172 29.999 29.700 0.211 0.000 1.172 163 E HN 0.482 nan 8.360 nan 0.000 0.445 164 S N 2.683 118.459 115.700 0.126 0.000 2.603 164 S HA 0.035 4.505 4.470 -0.000 0.000 0.220 164 S C 1.181 175.825 174.600 0.073 0.000 0.967 164 S CA -0.238 58.020 58.200 0.098 0.000 0.920 164 S CB -0.105 63.143 63.200 0.080 0.000 0.773 164 S HN 0.343 nan 8.310 nan 0.000 0.529 165 N N 2.923 121.668 118.700 0.075 0.000 2.047 165 N HA 0.089 4.829 4.740 -0.000 0.000 0.193 165 N C 1.178 176.674 175.510 -0.023 0.000 1.055 165 N CA 1.435 54.492 53.050 0.012 0.000 0.847 165 N CB -0.798 37.679 38.487 -0.016 0.000 1.038 165 N HN 0.576 nan 8.380 nan 0.000 0.427 166 A N 0.948 123.748 122.820 -0.032 0.000 2.388 166 A HA 0.606 4.926 4.320 -0.000 0.000 0.280 166 A C 0.267 177.906 177.584 0.092 0.000 1.377 166 A CA -0.264 51.731 52.037 -0.069 0.000 0.863 166 A CB 0.316 19.087 19.000 -0.382 0.000 1.416 166 A HN 0.211 nan 8.150 nan 0.000 0.517 167 I N -1.358 119.285 120.570 0.121 0.000 3.002 167 I HA 0.385 4.555 4.170 -0.000 0.000 0.310 167 I C -0.722 175.499 176.117 0.174 0.000 1.087 167 I CA -0.527 60.853 61.300 0.132 0.000 1.017 167 I CB 2.269 40.322 38.000 0.087 0.000 1.226 167 I HN 0.615 nan 8.210 nan 0.000 0.443 168 I N 0.466 121.120 120.570 0.140 0.000 4.263 168 I HA 0.211 4.381 4.170 -0.000 0.000 0.335 168 I C 0.172 176.452 176.117 0.272 0.000 1.389 168 I CA -0.246 61.080 61.300 0.043 0.000 1.156 168 I CB -0.327 37.668 38.000 -0.009 0.000 1.510 168 I HN 0.418 nan 8.210 nan 0.000 0.566 169 N N 1.202 120.044 118.700 0.237 0.000 2.558 169 N HA 0.036 4.776 4.740 -0.000 0.000 0.281 169 N C -0.026 175.595 175.510 0.185 0.000 1.219 169 N CA 0.030 53.219 53.050 0.233 0.000 0.942 169 N CB -0.265 38.315 38.487 0.154 0.000 1.241 169 N HN 0.492 nan 8.380 nan 0.000 0.511 170 D N -1.581 118.953 120.400 0.224 0.000 2.342 170 D HA 0.170 4.809 4.640 -0.000 0.000 0.221 170 D C 1.206 177.587 176.300 0.134 0.000 1.101 170 D CA 0.072 54.173 54.000 0.169 0.000 0.837 170 D CB -0.304 40.612 40.800 0.193 0.000 0.938 170 D HN 0.334 nan 8.370 nan 0.000 0.508 171 G N 0.293 109.177 108.800 0.140 0.000 2.205 171 G HA2 -0.336 3.623 3.960 -0.000 0.000 0.261 171 G HA3 -0.336 3.623 3.960 -0.000 0.000 0.261 171 G C 0.272 175.211 174.900 0.065 0.000 0.980 171 G CA 0.453 45.615 45.100 0.102 0.000 0.632 171 G HN 0.492 nan 8.290 nan 0.000 0.533 172 K N -0.708 119.704 120.400 0.020 0.000 2.090 172 K HA 0.573 4.893 4.320 -0.000 0.000 0.249 172 K C -0.132 176.237 176.600 -0.385 0.000 0.995 172 K CA -1.010 55.193 56.287 -0.140 0.000 0.914 172 K CB 0.979 33.386 32.500 -0.154 0.000 1.057 172 K HN 0.162 nan 8.250 nan 0.000 0.462 173 Y N 2.319 122.289 120.300 -0.549 0.000 2.377 173 Y HA 0.070 4.620 4.550 -0.000 0.000 0.330 173 Y C -0.404 174.952 175.900 -0.906 0.000 1.108 173 Y CA 0.408 58.108 58.100 -0.666 0.000 1.308 173 Y CB 0.391 38.493 38.460 -0.596 0.000 1.216 173 Y HN 0.466 nan 8.280 nan 0.000 0.518 174 H N 3.788 122.131 119.070 -1.210 0.000 2.928 174 H HA 0.606 5.162 4.556 -0.000 0.000 0.371 174 H C -1.284 173.350 175.328 -1.157 0.000 1.186 174 H CA -0.844 54.555 56.048 -1.082 0.000 1.134 174 H CB 1.889 31.020 29.762 -1.051 0.000 1.824 174 H HN 0.453 nan 8.280 nan 0.000 0.554 175 V N 1.884 121.496 119.914 -0.503 0.000 2.588 175 V HA 0.284 4.404 4.120 -0.000 0.000 0.304 175 V C -0.387 175.651 176.094 -0.094 0.000 1.042 175 V CA -0.768 61.370 62.300 -0.270 0.000 0.877 175 V CB 2.340 34.060 31.823 -0.173 0.000 0.996 175 V HN 0.441 nan 8.190 nan 0.000 0.425 176 V N 6.656 126.603 119.914 0.055 0.000 2.540 176 V HA 0.666 4.785 4.120 -0.000 0.000 0.302 176 V C -0.507 175.631 176.094 0.073 0.000 1.035 176 V CA -0.497 61.845 62.300 0.070 0.000 0.873 176 V CB 1.861 33.765 31.823 0.135 0.000 0.992 176 V HN 0.935 nan 8.190 nan 0.000 0.428 177 R N 5.728 126.266 120.500 0.063 0.000 2.480 177 R HA 0.551 4.891 4.340 -0.000 0.000 0.306 177 R C -1.568 174.819 176.300 0.145 0.000 0.958 177 R CA -0.409 55.744 56.100 0.089 0.000 0.861 177 R CB 2.400 32.716 30.300 0.028 0.000 1.171 177 R HN 0.685 nan 8.270 nan 0.000 0.445 178 F N 1.002 120.958 119.950 0.009 0.000 2.532 178 F HA 0.543 5.070 4.527 -0.000 0.000 0.321 178 F C -0.923 174.868 175.800 -0.016 0.000 1.089 178 F CA -0.291 57.704 58.000 -0.009 0.000 0.926 178 F CB 2.449 41.441 39.000 -0.012 0.000 1.168 178 F HN 0.280 nan 8.300 nan 0.000 0.459 179 T N 5.908 119.845 114.554 -1.028 0.000 2.912 179 T HA 0.483 4.833 4.350 -0.000 0.000 0.299 179 T C -1.541 172.437 174.700 -1.203 0.000 1.052 179 T CA -0.721 60.889 62.100 -0.817 0.000 0.996 179 T CB 1.624 70.252 68.868 -0.401 0.000 1.070 179 T HN 0.747 nan 8.240 nan 0.000 0.465 180 R N 1.639 121.683 120.500 -0.759 0.000 2.574 180 R HA 0.648 4.988 4.340 -0.000 0.000 0.288 180 R C -1.490 174.622 176.300 -0.314 0.000 1.004 180 R CA -0.482 55.257 56.100 -0.601 0.000 0.895 180 R CB 1.594 31.537 30.300 -0.595 0.000 1.191 180 R HN 0.589 nan 8.270 nan 0.000 0.444 181 S N 2.760 118.316 115.700 -0.240 0.000 2.733 181 S HA 0.515 4.985 4.470 -0.000 0.000 0.307 181 S C 0.413 174.971 174.600 -0.071 0.000 1.127 181 S CA 0.529 58.653 58.200 -0.127 0.000 1.097 181 S CB 1.058 64.199 63.200 -0.099 0.000 1.003 181 S HN 1.032 nan 8.310 nan 0.000 0.477 182 G N 4.510 113.286 108.800 -0.040 0.000 2.634 182 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.318 182 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.318 182 G C 0.921 175.857 174.900 0.060 0.000 1.207 182 G CA 0.405 45.513 45.100 0.014 0.000 0.987 182 G HN 1.435 nan 8.290 nan 0.000 0.547 183 G N 0.556 109.418 108.800 0.102 0.000 3.088 183 G HA2 0.365 4.324 3.960 -0.000 0.000 0.217 183 G HA3 0.365 4.324 3.960 -0.000 0.000 0.217 183 G C 0.461 175.483 174.900 0.204 0.000 1.159 183 G CA 0.662 45.883 45.100 0.201 0.000 0.760 183 G HN 0.626 nan 8.290 nan 0.000 0.550 184 N N 0.725 119.458 118.700 0.056 0.000 2.487 184 N HA 0.663 5.403 4.740 -0.000 0.000 0.292 184 N C -0.396 175.013 175.510 -0.169 0.000 1.108 184 N CA -0.086 52.888 53.050 -0.127 0.000 0.956 184 N CB 2.115 40.420 38.487 -0.303 0.000 1.176 184 N HN 0.146 nan 8.380 nan 0.000 0.484 185 A N 0.180 122.861 122.820 -0.230 0.000 2.532 185 A HA 0.813 5.133 4.320 -0.000 0.000 0.290 185 A C -0.712 176.704 177.584 -0.279 0.000 1.143 185 A CA -0.501 51.387 52.037 -0.248 0.000 0.728 185 A CB 1.690 20.765 19.000 0.124 0.000 1.317 185 A HN 0.453 nan 8.150 nan 0.000 0.414 186 T N 0.353 114.706 114.554 -0.335 0.000 2.952 186 T HA 0.600 4.950 4.350 -0.000 0.000 0.305 186 T C -1.787 172.848 174.700 -0.109 0.000 1.064 186 T CA -0.179 61.804 62.100 -0.195 0.000 1.008 186 T CB 1.176 69.922 68.868 -0.204 0.000 1.078 186 T HN 0.900 nan 8.240 nan 0.000 0.459 187 L N 3.283 124.520 121.223 0.024 0.000 2.455 187 L HA 0.726 5.066 4.340 -0.000 0.000 0.264 187 L C -1.271 175.642 176.870 0.071 0.000 0.968 187 L CA -0.217 54.687 54.840 0.107 0.000 0.827 187 L CB 2.161 44.325 42.059 0.176 0.000 1.317 187 L HN 0.698 nan 8.230 nan 0.000 0.407 188 Q N 3.463 123.295 119.800 0.054 0.000 2.268 188 Q HA 0.640 4.980 4.340 -0.000 0.000 0.266 188 Q C -2.139 173.832 176.000 -0.049 0.000 1.006 188 Q CA -0.684 55.131 55.803 0.021 0.000 0.824 188 Q CB 2.381 31.124 28.738 0.009 0.000 1.306 188 Q HN 0.540 nan 8.270 nan 0.000 0.424 189 V N 4.810 124.635 119.914 -0.147 0.000 2.427 189 V HA 0.248 4.368 4.120 -0.000 0.000 0.286 189 V C 0.286 175.983 176.094 -0.661 0.000 1.034 189 V CA -0.016 62.037 62.300 -0.412 0.000 0.893 189 V CB 1.380 32.814 31.823 -0.649 0.000 0.982 189 V HN 1.066 nan 8.190 nan 0.000 0.452 190 D N 3.430 123.519 120.400 -0.519 0.000 3.910 190 D HA -0.271 4.369 4.640 -0.000 0.000 0.153 190 D C 1.172 177.329 176.300 -0.238 0.000 0.802 190 D CA 2.048 55.803 54.000 -0.407 0.000 1.009 190 D CB -0.693 39.772 40.800 -0.559 0.000 0.453 190 D HN 0.632 nan 8.370 nan 0.000 0.422 191 S N -0.520 115.085 115.700 -0.157 0.000 2.730 191 S HA 0.122 4.592 4.470 -0.000 0.000 0.244 191 S C -0.049 174.688 174.600 0.229 0.000 1.022 191 S CA -0.657 57.575 58.200 0.053 0.000 1.014 191 S CB 0.320 63.581 63.200 0.101 0.000 0.963 191 S HN 0.232 nan 8.310 nan 0.000 0.540 192 W N 3.724 125.042 121.300 0.031 0.000 1.979 192 W HA 0.244 4.905 4.660 0.001 0.000 0.359 192 W C -2.325 174.210 176.519 0.026 0.000 1.354 192 W CA -2.397 54.964 57.345 0.027 0.000 1.359 192 W CB -1.207 28.268 29.460 0.025 0.000 1.248 192 W HN -0.012 nan 8.180 nan 0.000 0.641 193 P HA 0.014 nan 4.420 nan 0.000 0.264 193 P C -0.197 177.191 177.300 0.146 0.000 1.193 193 P CA 0.162 63.360 63.100 0.163 0.000 0.763 193 P CB 0.496 32.269 31.700 0.122 0.000 0.810 194 V N 5.717 125.691 119.914 0.100 0.000 2.673 194 V HA -0.021 4.099 4.120 -0.000 0.000 0.303 194 V C 1.090 177.233 176.094 0.081 0.000 1.046 194 V CA 0.424 62.769 62.300 0.076 0.000 1.126 194 V CB -0.160 31.691 31.823 0.048 0.000 0.934 194 V HN 0.385 nan 8.190 nan 0.000 0.487 195 I N 4.990 125.607 120.570 0.079 0.000 2.336 195 I HA 0.385 4.555 4.170 -0.000 0.000 0.292 195 I C 0.138 176.288 176.117 0.056 0.000 0.991 195 I CA -0.282 61.067 61.300 0.082 0.000 1.227 195 I CB 1.156 39.215 38.000 0.098 0.000 1.366 195 I HN 0.642 nan 8.210 nan 0.000 0.466 196 E N 6.467 126.709 120.200 0.070 0.000 2.145 196 E HA 0.447 4.797 4.350 -0.000 0.000 0.270 196 E C -0.684 175.944 176.600 0.047 0.000 0.906 196 E CA -0.883 55.542 56.400 0.040 0.000 0.761 196 E CB 2.353 32.154 29.700 0.169 0.000 1.116 196 E HN 0.389 nan 8.360 nan 0.000 0.408 197 R N 2.976 123.418 120.500 -0.098 0.000 2.393 197 R HA 0.303 4.643 4.340 -0.000 0.000 0.315 197 R C -1.753 174.421 176.300 -0.211 0.000 0.952 197 R CA -0.392 55.687 56.100 -0.035 0.000 0.842 197 R CB 0.572 30.887 30.300 0.025 0.000 1.163 197 R HN 0.445 nan 8.270 nan 0.000 0.450 198 Y N 5.354 125.682 120.300 0.045 0.000 2.376 198 Y HA 0.358 4.908 4.550 -0.000 0.000 0.326 198 Y C -1.806 174.109 175.900 0.026 0.000 0.970 198 Y CA -2.569 55.554 58.100 0.039 0.000 1.248 198 Y CB 1.531 40.007 38.460 0.026 0.000 1.117 198 Y HN 0.580 nan 8.280 nan 0.000 0.476 199 P HA 0.081 nan 4.420 nan 0.000 0.263 199 P C 0.176 177.521 177.300 0.075 0.000 1.195 199 P CA 0.145 63.282 63.100 0.061 0.000 0.762 199 P CB 0.913 32.618 31.700 0.008 0.000 0.799 232 R N 1.085 121.599 120.500 0.024 0.000 2.698 232 R HA 0.303 4.643 4.340 -0.000 0.000 0.266 232 R C -0.346 175.970 176.300 0.026 0.000 1.026 232 R CA 0.348 56.467 56.100 0.031 0.000 1.102 232 R CB 0.432 30.748 30.300 0.027 0.000 0.978 232 R HN 0.537 nan 8.270 nan 0.000 0.436 233 Q N 2.712 122.534 119.800 0.036 0.000 2.484 233 Q HA 0.297 4.637 4.340 -0.000 0.000 0.285 233 Q C -0.334 175.691 176.000 0.042 0.000 1.097 233 Q CA -0.969 54.854 55.803 0.033 0.000 0.802 233 Q CB 1.917 30.678 28.738 0.040 0.000 1.444 233 Q HN 0.551 nan 8.270 nan 0.000 0.429 234 L N 0.230 121.477 121.223 0.039 0.000 2.476 234 L HA 0.093 4.433 4.340 -0.000 0.000 0.264 234 L C 1.165 178.070 176.870 0.059 0.000 1.224 234 L CA 0.486 55.352 54.840 0.043 0.000 0.821 234 L CB 0.347 42.430 42.059 0.040 0.000 1.101 234 L HN 0.726 nan 8.230 nan 0.000 0.488 235 T N 0.976 115.562 114.554 0.054 0.000 2.985 235 T HA 0.379 4.729 4.350 -0.000 0.000 0.254 235 T C 0.290 175.025 174.700 0.059 0.000 1.021 235 T CA 0.019 62.151 62.100 0.053 0.000 0.957 235 T CB 0.089 68.980 68.868 0.037 0.000 1.047 235 T HN 0.199 nan 8.240 nan 0.000 0.511 236 I N 1.306 121.921 120.570 0.074 0.000 2.474 236 I HA 0.406 4.576 4.170 -0.000 0.000 0.294 236 I C -1.053 175.177 176.117 0.188 0.000 1.005 236 I CA -1.164 60.196 61.300 0.100 0.000 1.113 236 I CB 1.868 39.906 38.000 0.064 0.000 1.289 236 I HN 0.013 nan 8.210 nan 0.000 0.436 237 F N 5.952 125.896 119.950 -0.009 0.000 2.368 237 F HA 0.397 4.924 4.527 -0.000 0.000 0.362 237 F C -0.151 175.636 175.800 -0.022 0.000 1.137 237 F CA -1.306 56.695 58.000 0.001 0.000 1.161 237 F CB -0.236 38.770 39.000 0.010 0.000 1.265 237 F HN 0.433 nan 8.300 nan 0.000 0.530 238 N N 2.505 121.381 118.700 0.292 0.000 2.518 238 N HA 0.172 4.912 4.740 -0.000 0.000 0.283 238 N C 0.102 175.575 175.510 -0.063 0.000 1.119 238 N CA -0.194 52.889 53.050 0.056 0.000 0.983 238 N CB 1.077 39.606 38.487 0.070 0.000 1.139 238 N HN 0.547 nan 8.380 nan 0.000 0.465 239 S N 0.481 116.086 115.700 -0.159 0.000 3.336 239 S HA -0.247 4.223 4.470 -0.000 0.000 0.362 239 S C -0.514 173.911 174.600 -0.292 0.000 0.941 239 S CA 0.179 58.257 58.200 -0.204 0.000 1.297 239 S CB -1.218 61.927 63.200 -0.092 0.000 0.915 239 S HN 0.514 nan 8.310 nan 0.000 0.527 240 Q N 1.064 120.523 119.800 -0.569 0.000 2.271 240 Q HA 0.419 4.759 4.340 -0.000 0.000 0.273 240 Q C 1.140 176.876 176.000 -0.440 0.000 1.051 240 Q CA 0.532 55.936 55.803 -0.664 0.000 0.901 240 Q CB 0.822 28.912 28.738 -1.079 0.000 1.174 240 Q HN 0.637 nan 8.270 nan 0.000 0.385 241 A N 2.757 125.576 122.820 -0.002 0.000 2.055 241 A HA 0.138 4.457 4.320 -0.000 0.000 0.205 241 A C 0.581 178.410 177.584 0.408 0.000 1.235 241 A CA 0.825 52.983 52.037 0.202 0.000 0.822 241 A CB 0.683 19.734 19.000 0.085 0.000 0.903 241 A HN 0.689 nan 8.150 nan 0.000 0.473 242 T N -2.107 112.661 114.554 0.357 0.000 2.916 242 T HA 0.688 5.037 4.350 -0.000 0.000 0.305 242 T C -0.998 173.802 174.700 0.167 0.000 1.119 242 T CA -0.426 61.786 62.100 0.186 0.000 1.008 242 T CB 1.344 70.255 68.868 0.071 0.000 1.129 242 T HN 0.144 nan 8.240 nan 0.000 0.480 243 I N 2.682 123.266 120.570 0.024 0.000 2.382 243 I HA 0.435 4.605 4.170 -0.000 0.000 0.285 243 I C -0.672 175.423 176.117 -0.038 0.000 1.007 243 I CA -0.935 60.342 61.300 -0.038 0.000 1.142 243 I CB 1.331 39.251 38.000 -0.134 0.000 1.289 243 I HN 0.556 nan 8.210 nan 0.000 0.453 244 I N 7.380 127.927 120.570 -0.038 0.000 2.362 244 I HA 0.423 4.593 4.170 -0.000 0.000 0.289 244 I C -0.378 175.701 176.117 -0.064 0.000 0.994 244 I CA -0.451 60.828 61.300 -0.035 0.000 1.158 244 I CB 1.531 39.521 38.000 -0.016 0.000 1.315 244 I HN 0.398 nan 8.210 nan 0.000 0.451 245 I N 5.478 126.016 120.570 -0.054 0.000 2.378 245 I HA 0.583 4.753 4.170 -0.000 0.000 0.291 245 I C 0.899 176.976 176.117 -0.066 0.000 0.992 245 I CA 0.024 61.264 61.300 -0.099 0.000 1.154 245 I CB 1.636 39.598 38.000 -0.063 0.000 1.315 245 I HN 0.873 nan 8.210 nan 0.000 0.448 246 G N 3.369 112.010 108.800 -0.265 0.000 2.480 246 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.193 246 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.193 246 G C 1.014 175.864 174.900 -0.084 0.000 1.004 246 G CA -0.150 44.791 45.100 -0.264 0.000 0.696 246 G HN 1.315 nan 8.290 nan 0.000 0.478 247 G N 0.495 109.258 108.800 -0.062 0.000 2.196 247 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.268 247 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.268 247 G C 1.118 176.028 174.900 0.017 0.000 0.975 247 G CA 1.780 46.868 45.100 -0.019 0.000 0.648 247 G HN 1.072 nan 8.290 nan 0.000 0.538 248 K N 0.249 120.675 120.400 0.044 0.000 2.063 248 K HA -0.082 4.238 4.320 -0.000 0.000 0.208 248 K C 2.160 178.776 176.600 0.026 0.000 1.048 248 K CA 1.788 58.105 56.287 0.050 0.000 0.928 248 K CB -0.177 32.368 32.500 0.075 0.000 0.713 248 K HN 0.525 nan 8.250 nan 0.000 0.442 249 E N -0.123 120.087 120.200 0.016 0.000 2.204 249 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 249 E C 1.420 178.014 176.600 -0.010 0.000 0.989 249 E CA 0.905 57.306 56.400 0.003 0.000 0.824 249 E CB 0.266 29.966 29.700 -0.000 0.000 0.756 249 E HN 0.261 nan 8.360 nan 0.000 0.477 250 Q N -1.139 118.653 119.800 -0.013 0.000 2.444 250 Q HA 0.157 4.497 4.340 -0.000 0.000 0.206 250 Q C 0.996 176.984 176.000 -0.021 0.000 0.948 250 Q CA 0.728 56.515 55.803 -0.027 0.000 0.946 250 Q CB 0.876 29.595 28.738 -0.032 0.000 1.027 250 Q HN 0.387 nan 8.270 nan 0.000 0.513 251 G N 0.191 108.987 108.800 -0.007 0.000 2.159 251 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.256 251 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.256 251 G C 0.016 174.918 174.900 0.004 0.000 0.977 251 G CA 0.055 45.154 45.100 -0.002 0.000 0.652 251 G HN 0.380 nan 8.290 nan 0.000 0.531 252 Q N 0.317 120.122 119.800 0.010 0.000 3.122 252 Q HA 0.304 4.644 4.340 -0.000 0.000 0.282 252 Q C -2.769 173.255 176.000 0.041 0.000 0.947 252 Q CA -1.891 53.924 55.803 0.020 0.000 0.812 252 Q CB 2.015 30.761 28.738 0.013 0.000 1.333 252 Q HN 0.250 nan 8.270 nan 0.000 0.430 253 P HA -0.115 nan 4.420 nan 0.000 0.264 253 P C -0.843 176.518 177.300 0.103 0.000 1.183 253 P CA 0.152 63.300 63.100 0.081 0.000 0.763 253 P CB 0.279 32.026 31.700 0.077 0.000 0.807 254 F N 3.419 123.324 119.950 -0.075 0.000 2.384 254 F HA 0.300 4.826 4.527 -0.000 0.000 0.338 254 F C 0.154 175.952 175.800 -0.003 0.000 1.103 254 F CA 0.057 57.990 58.000 -0.112 0.000 1.157 254 F CB 0.979 39.788 39.000 -0.317 0.000 1.167 254 F HN 0.253 nan 8.300 nan 0.000 0.529 255 Q N 4.514 123.875 119.800 -0.732 0.000 2.309 255 Q HA 0.608 4.948 4.340 -0.000 0.000 0.270 255 Q C -0.288 175.266 176.000 -0.742 0.000 1.023 255 Q CA -0.566 54.983 55.803 -0.423 0.000 0.758 255 Q CB 1.892 30.507 28.738 -0.206 0.000 1.247 255 Q HN 1.086 nan 8.270 nan 0.000 0.455 256 G N 1.917 110.543 108.800 -0.289 0.000 2.334 256 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.249 256 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.249 256 G C -1.666 173.495 174.900 0.436 0.000 1.327 256 G CA -0.843 44.238 45.100 -0.032 0.000 0.979 256 G HN 0.418 nan 8.290 nan 0.000 0.471 257 Q N -0.416 119.704 119.800 0.533 0.000 2.342 257 Q HA 0.768 5.108 4.340 -0.000 0.000 0.267 257 Q C -0.801 175.512 176.000 0.523 0.000 1.038 257 Q CA -0.575 55.489 55.803 0.436 0.000 0.832 257 Q CB 2.574 31.324 28.738 0.020 0.000 1.323 257 Q HN 0.466 nan 8.270 nan 0.000 0.448 258 L N 1.377 122.831 121.223 0.384 0.000 2.381 258 L HA 0.736 5.075 4.340 -0.000 0.000 0.268 258 L C -0.652 176.381 176.870 0.271 0.000 0.997 258 L CA -0.623 54.389 54.840 0.286 0.000 0.818 258 L CB 2.143 44.268 42.059 0.110 0.000 1.310 258 L HN 0.788 nan 8.230 nan 0.000 0.416 259 S N -0.517 115.369 115.700 0.310 0.000 2.565 259 S HA 0.671 5.141 4.470 -0.000 0.000 0.269 259 S C 0.154 174.918 174.600 0.273 0.000 1.153 259 S CA -0.176 58.200 58.200 0.293 0.000 0.835 259 S CB 1.721 65.124 63.200 0.337 0.000 1.122 259 S HN 1.181 nan 8.310 nan 0.000 0.462 260 G N 0.224 109.157 108.800 0.222 0.000 2.323 260 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.292 260 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.292 260 G C -0.196 174.818 174.900 0.190 0.000 1.040 260 G CA 0.295 45.512 45.100 0.195 0.000 0.942 260 G HN 1.477 nan 8.290 nan 0.000 0.506 261 L N 0.595 121.916 121.223 0.163 0.000 2.477 261 L HA 0.640 4.980 4.340 -0.000 0.000 0.272 261 L C -0.160 176.813 176.870 0.171 0.000 1.157 261 L CA -1.176 53.748 54.840 0.139 0.000 0.889 261 L CB 0.153 42.254 42.059 0.070 0.000 1.158 261 L HN 0.290 nan 8.230 nan 0.000 0.473 262 Y N 6.052 126.402 120.300 0.082 0.000 2.326 262 Y HA 0.438 4.988 4.550 -0.000 0.000 0.329 262 Y C -1.811 174.178 175.900 0.147 0.000 0.973 262 Y CA -0.837 57.310 58.100 0.079 0.000 1.162 262 Y CB 1.065 39.559 38.460 0.056 0.000 1.147 262 Y HN 0.638 nan 8.280 nan 0.000 0.456 263 Y N 6.955 126.971 120.300 -0.472 0.000 2.327 263 Y HA 0.345 4.895 4.550 -0.000 0.000 0.325 263 Y C -0.286 175.379 175.900 -0.392 0.000 0.999 263 Y CA -1.484 56.457 58.100 -0.264 0.000 1.195 263 Y CB 0.555 38.955 38.460 -0.101 0.000 1.132 263 Y HN 0.817 nan 8.280 nan 0.000 0.455 264 N N 4.489 122.709 118.700 -0.799 0.000 2.699 264 N HA -0.217 4.523 4.740 -0.000 0.000 0.256 264 N C 1.066 176.308 175.510 -0.446 0.000 0.993 264 N CA 1.852 54.568 53.050 -0.557 0.000 0.759 264 N CB -1.070 37.056 38.487 -0.600 0.000 0.906 264 N HN 1.331 nan 8.380 nan 0.000 0.541 265 G N -2.018 106.337 108.800 -0.741 0.000 2.225 265 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.254 265 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.254 265 G C 0.018 174.680 174.900 -0.397 0.000 0.988 265 G CA 0.336 45.207 45.100 -0.383 0.000 0.625 265 G HN 0.423 nan 8.290 nan 0.000 0.527 266 L N 0.879 121.806 121.223 -0.494 0.000 2.264 266 L HA 0.422 4.762 4.340 -0.000 0.000 0.289 266 L C 0.495 177.179 176.870 -0.310 0.000 1.044 266 L CA -0.490 54.144 54.840 -0.344 0.000 0.807 266 L CB 1.342 43.187 42.059 -0.356 0.000 1.192 266 L HN 0.011 nan 8.230 nan 0.000 0.425 267 K N 3.172 123.472 120.400 -0.167 0.000 2.265 267 K HA 0.151 4.471 4.320 -0.000 0.000 0.242 267 K C 1.003 177.550 176.600 -0.088 0.000 1.137 267 K CA -0.300 55.959 56.287 -0.046 0.000 1.082 267 K CB 0.932 33.453 32.500 0.035 0.000 1.731 267 K HN 0.474 nan 8.250 nan 0.000 0.392 268 V N 1.637 121.469 119.914 -0.138 0.000 2.287 268 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 268 V C 2.078 178.128 176.094 -0.074 0.000 1.053 268 V CA 1.677 63.870 62.300 -0.180 0.000 1.027 268 V CB -0.512 31.187 31.823 -0.207 0.000 0.646 268 V HN 0.673 nan 8.190 nan 0.000 0.447 269 L N 0.004 121.233 121.223 0.011 0.000 2.083 269 L HA -0.181 4.158 4.340 -0.000 0.000 0.209 269 L C 2.367 179.335 176.870 0.164 0.000 1.083 269 L CA 1.888 56.794 54.840 0.111 0.000 0.752 269 L CB -0.857 41.333 42.059 0.218 0.000 0.899 269 L HN 0.475 nan 8.230 nan 0.000 0.433 270 N N -0.070 118.688 118.700 0.096 0.000 2.120 270 N HA -0.186 4.554 4.740 -0.000 0.000 0.188 270 N C 1.965 177.507 175.510 0.053 0.000 1.024 270 N CA 1.183 54.279 53.050 0.077 0.000 0.852 270 N CB -0.114 38.401 38.487 0.047 0.000 1.003 270 N HN 0.323 nan 8.380 nan 0.000 0.424 271 M N 0.728 120.329 119.600 0.003 0.000 2.159 271 M HA -0.104 4.376 4.480 -0.000 0.000 0.263 271 M C 2.388 178.701 176.300 0.020 0.000 1.063 271 M CA 1.149 56.440 55.300 -0.016 0.000 1.110 271 M CB -0.224 32.319 32.600 -0.096 0.000 1.374 271 M HN 0.209 nan 8.290 nan 0.000 0.411 272 A N 0.144 122.981 122.820 0.029 0.000 1.969 272 A HA 0.047 4.367 4.320 -0.000 0.000 0.218 272 A C 2.303 179.972 177.584 0.142 0.000 1.169 272 A CA 1.706 53.768 52.037 0.041 0.000 0.635 272 A CB -0.672 18.275 19.000 -0.088 0.000 0.810 272 A HN 0.495 nan 8.150 nan 0.000 0.445 273 A N -1.087 121.848 122.820 0.191 0.000 2.021 273 A HA 0.039 4.359 4.320 -0.000 0.000 0.216 273 A C 1.687 179.315 177.584 0.074 0.000 1.163 273 A CA 0.942 53.073 52.037 0.156 0.000 0.676 273 A CB -0.133 18.936 19.000 0.115 0.000 0.818 273 A HN 0.339 nan 8.150 nan 0.000 0.453 274 E N 0.521 120.755 120.200 0.057 0.000 2.403 274 E HA -0.030 4.320 4.350 -0.000 0.000 0.187 274 E C -0.343 176.276 176.600 0.032 0.000 1.073 274 E CA -0.290 56.131 56.400 0.034 0.000 0.888 274 E CB -0.356 29.359 29.700 0.025 0.000 1.035 274 E HN 0.482 nan 8.360 nan 0.000 0.471 275 N N 2.859 121.584 118.700 0.041 0.000 2.667 275 N HA -0.196 4.543 4.740 -0.000 0.000 0.263 275 N C -0.564 174.963 175.510 0.028 0.000 1.038 275 N CA 0.500 53.571 53.050 0.034 0.000 0.749 275 N CB -0.820 37.683 38.487 0.027 0.000 0.892 275 N HN 0.253 nan 8.380 nan 0.000 0.546 276 D N -0.088 120.331 120.400 0.032 0.000 2.400 276 D HA 0.179 4.819 4.640 -0.000 0.000 0.238 276 D C 1.214 177.534 176.300 0.032 0.000 1.157 276 D CA 0.633 54.657 54.000 0.038 0.000 0.889 276 D CB 0.993 41.828 40.800 0.059 0.000 1.199 276 D HN 0.405 nan 8.370 nan 0.000 0.436 277 A N 4.020 126.857 122.820 0.027 0.000 2.015 277 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 277 A C 1.454 179.032 177.584 -0.011 0.000 1.163 277 A CA 0.772 52.815 52.037 0.009 0.000 0.646 277 A CB -0.121 18.884 19.000 0.007 0.000 0.806 277 A HN 0.641 nan 8.150 nan 0.000 0.448 278 N N -0.134 118.561 118.700 -0.008 0.000 2.313 278 N HA 0.221 4.961 4.740 -0.000 0.000 0.207 278 N C -0.361 175.084 175.510 -0.109 0.000 1.141 278 N CA 0.341 53.325 53.050 -0.109 0.000 0.830 278 N CB 0.451 38.797 38.487 -0.236 0.000 1.008 278 N HN 0.433 nan 8.380 nan 0.000 0.481 279 I N 0.558 121.124 120.570 -0.005 0.000 2.530 279 I HA 0.501 4.671 4.170 -0.000 0.000 0.297 279 I C -0.527 175.577 176.117 -0.021 0.000 1.011 279 I CA -0.926 60.379 61.300 0.009 0.000 1.107 279 I CB 2.054 40.083 38.000 0.050 0.000 1.285 279 I HN -0.139 nan 8.210 nan 0.000 0.436 280 A N 7.428 130.228 122.820 -0.034 0.000 2.374 280 A HA 0.785 5.105 4.320 -0.000 0.000 0.305 280 A C -0.941 176.620 177.584 -0.039 0.000 1.053 280 A CA -0.460 51.557 52.037 -0.033 0.000 0.726 280 A CB 1.172 20.151 19.000 -0.035 0.000 1.229 280 A HN 0.610 nan 8.150 nan 0.000 0.431 281 I N 2.376 122.924 120.570 -0.037 0.000 2.404 281 I HA 0.616 4.786 4.170 -0.000 0.000 0.293 281 I C -0.779 175.320 176.117 -0.030 0.000 0.992 281 I CA -0.928 60.341 61.300 -0.052 0.000 1.149 281 I CB 1.843 39.807 38.000 -0.061 0.000 1.315 281 I HN 0.334 nan 8.210 nan 0.000 0.446 282 V N 4.041 123.940 119.914 -0.025 0.000 2.971 282 V HA 0.850 4.970 4.120 -0.000 0.000 0.309 282 V C 0.353 176.448 176.094 0.001 0.000 1.130 282 V CA 0.044 62.340 62.300 -0.007 0.000 0.964 282 V CB 1.789 33.614 31.823 0.003 0.000 1.029 282 V HN 1.110 nan 8.190 nan 0.000 0.427 283 G N 3.484 112.287 108.800 0.005 0.000 2.642 283 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.231 283 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.231 283 G C -0.033 174.865 174.900 -0.003 0.000 1.338 283 G CA 0.123 45.232 45.100 0.014 0.000 0.883 283 G HN 0.868 nan 8.290 nan 0.000 0.570 284 N N 0.514 119.221 118.700 0.012 0.000 2.892 284 N HA 0.347 5.087 4.740 -0.000 0.000 0.300 284 N C -0.306 175.163 175.510 -0.067 0.000 1.211 284 N CA 0.436 53.484 53.050 -0.004 0.000 1.158 284 N CB -0.341 38.163 38.487 0.029 0.000 1.455 284 N HN 0.678 nan 8.380 nan 0.000 0.524 285 V N 3.220 123.054 119.914 -0.133 0.000 2.525 285 V HA 0.479 4.599 4.120 -0.000 0.000 0.299 285 V C -0.088 175.942 176.094 -0.107 0.000 1.034 285 V CA -0.854 61.269 62.300 -0.296 0.000 0.863 285 V CB 1.842 33.399 31.823 -0.443 0.000 0.999 285 V HN 0.297 nan 8.190 nan 0.000 0.423 286 R N 3.587 124.044 120.500 -0.071 0.000 2.621 286 R HA 0.638 4.978 4.340 -0.000 0.000 0.292 286 R C -1.224 175.013 176.300 -0.105 0.000 0.969 286 R CA -1.021 55.060 56.100 -0.032 0.000 0.887 286 R CB 2.557 32.826 30.300 -0.052 0.000 1.180 286 R HN 0.554 nan 8.270 nan 0.000 0.450 287 L N 2.880 123.969 121.223 -0.222 0.000 2.313 287 L HA 0.194 4.534 4.340 -0.000 0.000 0.282 287 L C -0.489 176.172 176.870 -0.348 0.000 1.092 287 L CA -0.135 54.347 54.840 -0.596 0.000 0.831 287 L CB 1.246 43.016 42.059 -0.482 0.000 1.159 287 L HN 0.353 nan 8.230 nan 0.000 0.442 288 V N 6.716 126.417 119.914 -0.353 0.000 2.521 288 V HA 0.326 4.446 4.120 -0.000 0.000 0.286 288 V C 1.338 177.331 176.094 -0.168 0.000 1.034 288 V CA 0.440 62.622 62.300 -0.196 0.000 1.045 288 V CB 0.393 32.120 31.823 -0.160 0.000 0.974 288 V HN 1.025 nan 8.190 nan 0.000 0.480 289 G N 4.379 113.111 108.800 -0.113 0.000 2.529 289 G HA2 0.320 4.279 3.960 -0.000 0.000 0.277 289 G HA3 0.320 4.279 3.960 -0.000 0.000 0.277 289 G C -0.309 174.548 174.900 -0.071 0.000 1.383 289 G CA -0.262 44.786 45.100 -0.086 0.000 1.050 289 G HN 0.700 nan 8.290 nan 0.000 0.526 290 E N -1.029 119.139 120.200 -0.052 0.000 2.361 290 E HA 0.392 4.742 4.350 -0.000 0.000 0.270 290 E C -0.233 176.349 176.600 -0.031 0.000 0.911 290 E CA -0.513 55.862 56.400 -0.042 0.000 0.818 290 E CB 2.331 32.006 29.700 -0.041 0.000 1.332 290 E HN 0.345 nan 8.360 nan 0.000 0.402 291 V N 0.000 119.897 119.914 -0.028 0.000 2.409 291 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 291 V CA 0.000 62.287 62.300 -0.022 0.000 1.235 291 V CB 0.000 31.810 31.823 -0.021 0.000 1.184 291 V HN 0.000 nan 8.190 nan 0.000 0.556