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 3bz5_1_A DATA FIRST_RESID 53 DATA SEQUENCE TLKAGQTQSF NDWFPDDNFA SEVAAAFEMQ ATDTISEEQL ATLTSLDCHN DATA SEQUENCE SSITDMTGIE KLTGLTKLIC TSNNITTLDL SQNTNLTYLA CDSNKLTNLD DATA SEQUENCE VTPLTKLTYL NCDTNKLTKL DVSQNPLLTY LNCARNTLTE IDVSHNTQLT DATA SEQUENCE ELDCHLNKKI TKLDVTPQTQ LTTLDCSFNK ITELDVSQNK LLNRLNCDTN DATA SEQUENCE NITKLDLNQN IQLTFLDCSS NKLTEIDVTP LTQLTYFDCS VNPLTELDVS DATA SEQUENCE TLSKLTTLHC IQTDLLEIDL THNTQLIYFQ AEGCRKIKEL DVTHNTQLYL DATA SEQUENCE LDCQAAGITE LDLSQNPKLV YLYLNNTELT ELDVSHNTKL KSLSCVNAHI DATA SEQUENCE QDFSSVGKIP ALNNNFEAEG QTITMPKETL TNNSLTIAVS PDLLDQFGNP DATA SEQUENCE MNIEPGDGGV YDQATNTITW ENLSTDNPAV TYTFTSENGA IVGTVTTPFE 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 53 T HA 0.000 nan 4.350 nan 0.000 0.228 53 T C 0.000 174.703 174.700 0.004 0.000 1.109 53 T CA 0.000 62.102 62.100 0.004 0.000 1.349 53 T CB 0.000 68.870 68.868 0.004 0.000 0.612 54 L N 3.457 124.683 121.223 0.004 0.000 2.287 54 L HA 0.453 4.794 4.340 0.000 0.000 0.280 54 L C 0.174 177.046 176.870 0.003 0.000 1.055 54 L CA -0.192 54.651 54.840 0.004 0.000 0.863 54 L CB 0.233 42.295 42.059 0.004 0.000 1.245 54 L HN 0.463 nan 8.230 nan 0.000 0.432 55 K N 2.460 122.862 120.400 0.003 0.000 2.350 55 K HA 0.292 4.613 4.320 0.000 0.000 0.279 55 K C 1.041 177.643 176.600 0.003 0.000 1.027 55 K CA 0.365 56.655 56.287 0.004 0.000 0.969 55 K CB 1.224 33.728 32.500 0.007 0.000 0.954 55 K HN 0.682 nan 8.250 nan 0.000 0.474 56 A N 3.287 126.109 122.820 0.005 0.000 1.854 56 A HA 0.131 4.452 4.320 0.000 0.000 0.214 56 A C 1.099 178.691 177.584 0.014 0.000 1.192 56 A CA 1.575 53.614 52.037 0.004 0.000 0.611 56 A CB -0.959 18.044 19.000 0.005 0.000 0.832 56 A HN 1.007 nan 8.150 nan 0.000 0.442 57 G N -1.582 107.234 108.800 0.027 0.000 2.615 57 G HA2 -0.148 3.812 3.960 0.000 0.000 0.218 57 G HA3 -0.148 3.812 3.960 0.000 0.000 0.218 57 G C -0.434 174.514 174.900 0.080 0.000 1.339 57 G CA -0.113 45.020 45.100 0.055 0.000 0.884 57 G HN 0.721 nan 8.290 nan 0.000 0.559 58 Q N -0.332 119.553 119.800 0.141 0.000 2.421 58 Q HA 0.516 4.856 4.340 0.000 0.000 0.255 58 Q C -0.099 176.019 176.000 0.196 0.000 1.013 58 Q CA 0.663 56.535 55.803 0.116 0.000 0.895 58 Q CB 0.658 29.420 28.738 0.041 0.000 1.271 58 Q HN 0.512 nan 8.270 nan 0.000 0.460 59 T N 3.118 117.713 114.554 0.069 0.000 2.809 59 T HA 0.405 4.755 4.350 0.000 0.000 0.284 59 T C -0.943 173.728 174.700 -0.047 0.000 0.992 59 T CA -0.733 61.408 62.100 0.068 0.000 0.957 59 T CB 0.814 69.689 68.868 0.012 0.000 0.942 59 T HN 0.585 nan 8.240 nan 0.000 0.439 60 Q N 0.650 120.418 119.800 -0.053 0.000 2.630 60 Q HA 0.638 4.978 4.340 0.000 0.000 0.295 60 Q C -0.682 175.195 176.000 -0.205 0.000 0.944 60 Q CA -1.279 54.364 55.803 -0.267 0.000 0.766 60 Q CB 0.972 29.350 28.738 -0.600 0.000 1.471 60 Q HN 0.571 nan 8.270 nan 0.000 0.416 61 S N -0.223 115.368 115.700 -0.183 0.000 2.566 61 S HA 0.096 4.566 4.470 0.000 0.000 0.280 61 S C 0.456 175.065 174.600 0.015 0.000 1.343 61 S CA -0.347 57.815 58.200 -0.063 0.000 1.036 61 S CB -0.052 63.146 63.200 -0.003 0.000 0.866 61 S HN 0.524 nan 8.310 nan 0.000 0.526 62 F N 1.540 121.625 119.950 0.226 0.000 2.161 62 F HA -0.113 4.414 4.527 0.000 0.000 0.300 62 F C 2.521 178.518 175.800 0.329 0.000 1.089 62 F CA 1.509 59.735 58.000 0.376 0.000 1.282 62 F CB -0.651 38.492 39.000 0.237 0.000 1.010 62 F HN 0.543 nan 8.300 nan 0.000 0.485 63 N N 0.265 119.163 118.700 0.330 0.000 2.205 63 N HA -0.175 4.566 4.740 0.000 0.000 0.186 63 N C 1.332 176.906 175.510 0.107 0.000 1.015 63 N CA 1.548 54.719 53.050 0.201 0.000 0.862 63 N CB -0.434 38.128 38.487 0.126 0.000 0.986 63 N HN 0.297 nan 8.380 nan 0.000 0.429 64 D N -0.959 119.434 120.400 -0.012 0.000 2.213 64 D HA -0.030 4.610 4.640 0.000 0.000 0.205 64 D C 1.783 177.916 176.300 -0.279 0.000 0.961 64 D CA 0.378 54.267 54.000 -0.185 0.000 0.853 64 D CB -0.278 40.327 40.800 -0.325 0.000 0.967 64 D HN 0.351 nan 8.370 nan 0.000 0.496 65 W N -0.101 121.098 121.300 -0.168 0.000 2.409 65 W HA 0.004 4.664 4.660 0.000 0.000 0.299 65 W C 0.223 176.354 176.519 -0.646 0.000 1.203 65 W CA 0.203 57.260 57.345 -0.479 0.000 1.298 65 W CB 0.015 29.048 29.460 -0.712 0.000 1.127 65 W HN -0.190 nan 8.180 nan 0.000 0.528 66 F N 0.044 120.157 119.950 0.273 0.000 2.430 66 F HA 0.310 4.837 4.527 0.001 0.000 0.362 66 F C -1.767 174.140 175.800 0.180 0.000 1.103 66 F CA -2.763 55.367 58.000 0.217 0.000 1.045 66 F CB 0.919 39.956 39.000 0.063 0.000 1.276 66 F HN -0.346 nan 8.300 nan 0.000 0.444 67 P HA -0.189 nan 4.420 nan 0.000 0.216 67 P C 0.232 177.651 177.300 0.197 0.000 1.150 67 P CA 1.264 64.473 63.100 0.181 0.000 0.843 67 P CB 0.211 31.994 31.700 0.137 0.000 0.787 68 D N -0.268 120.294 120.400 0.270 0.000 2.339 68 D HA -0.043 4.598 4.640 0.000 0.000 0.256 68 D C 0.592 177.031 176.300 0.232 0.000 1.214 68 D CA 0.121 54.262 54.000 0.235 0.000 0.877 68 D CB 0.510 41.468 40.800 0.263 0.000 1.111 68 D HN -0.097 nan 8.370 nan 0.000 0.478 69 D N 3.177 123.669 120.400 0.154 0.000 2.104 69 D HA -0.175 4.466 4.640 0.000 0.000 0.194 69 D C 1.407 177.773 176.300 0.109 0.000 0.994 69 D CA 0.995 55.067 54.000 0.120 0.000 0.830 69 D CB 0.095 40.943 40.800 0.081 0.000 0.959 69 D HN 0.458 nan 8.370 nan 0.000 0.452 70 N N -0.159 118.606 118.700 0.109 0.000 2.223 70 N HA -0.139 4.601 4.740 0.000 0.000 0.185 70 N C 1.603 177.196 175.510 0.140 0.000 1.016 70 N CA 0.340 53.444 53.050 0.090 0.000 0.863 70 N CB -0.369 38.160 38.487 0.070 0.000 0.983 70 N HN 0.163 nan 8.380 nan 0.000 0.429 71 F N 1.797 121.752 119.950 0.008 0.000 2.128 71 F HA 0.101 4.628 4.527 0.000 0.000 0.295 71 F C 2.200 177.937 175.800 -0.105 0.000 1.100 71 F CA 0.848 58.828 58.000 -0.033 0.000 1.260 71 F CB -0.857 38.161 39.000 0.030 0.000 1.009 71 F HN 0.004 nan 8.300 nan 0.000 0.476 72 A N -0.689 122.085 122.820 -0.078 0.000 1.892 72 A HA -0.262 4.058 4.320 0.000 0.000 0.218 72 A C 2.463 179.938 177.584 -0.182 0.000 1.188 72 A CA 2.281 54.259 52.037 -0.098 0.000 0.631 72 A CB -1.567 17.570 19.000 0.227 0.000 0.822 72 A HN 0.443 nan 8.150 nan 0.000 0.447 73 S N -1.064 114.582 115.700 -0.090 0.000 2.382 73 S HA -0.151 4.319 4.470 0.000 0.000 0.228 73 S C 1.967 176.458 174.600 -0.182 0.000 1.027 73 S CA 1.516 59.650 58.200 -0.111 0.000 0.991 73 S CB -0.329 62.849 63.200 -0.038 0.000 0.823 73 S HN 0.577 nan 8.310 nan 0.000 0.469 74 E N 0.556 120.654 120.200 -0.169 0.000 2.076 74 E HA -0.021 4.329 4.350 0.000 0.000 0.190 74 E C 2.290 178.723 176.600 -0.278 0.000 0.979 74 E CA 0.843 57.147 56.400 -0.161 0.000 0.807 74 E CB -0.618 29.062 29.700 -0.032 0.000 0.761 74 E HN 0.401 nan 8.360 nan 0.000 0.454 75 V N 1.996 121.615 119.914 -0.492 0.000 2.332 75 V HA -0.272 3.849 4.120 0.000 0.000 0.248 75 V C 2.485 178.295 176.094 -0.474 0.000 1.055 75 V CA 1.801 63.771 62.300 -0.551 0.000 1.038 75 V CB -0.941 30.247 31.823 -1.057 0.000 0.651 75 V HN 0.224 nan 8.190 nan 0.000 0.450 76 A N 0.298 122.622 122.820 -0.826 0.000 1.865 76 A HA -0.196 4.124 4.320 0.000 0.000 0.217 76 A C 2.460 179.784 177.584 -0.432 0.000 1.191 76 A CA 2.389 53.754 52.037 -1.119 0.000 0.623 76 A CB -1.014 17.475 19.000 -0.852 0.000 0.826 76 A HN 0.607 nan 8.150 nan 0.000 0.444 77 A N -0.331 122.315 122.820 -0.290 0.000 1.978 77 A HA 0.122 4.442 4.320 0.000 0.000 0.220 77 A C 2.459 179.953 177.584 -0.150 0.000 1.170 77 A CA 2.135 54.072 52.037 -0.166 0.000 0.636 77 A CB -0.987 17.934 19.000 -0.132 0.000 0.810 77 A HN 1.172 nan 8.150 nan 0.000 0.448 78 A N -1.001 121.701 122.820 -0.198 0.000 1.940 78 A HA -0.062 4.258 4.320 0.000 0.000 0.219 78 A C 1.692 179.068 177.584 -0.348 0.000 1.176 78 A CA 1.503 53.375 52.037 -0.274 0.000 0.631 78 A CB -0.713 18.078 19.000 -0.348 0.000 0.814 78 A HN 0.527 nan 8.150 nan 0.000 0.446 79 F N -0.406 119.466 119.950 -0.131 0.000 2.773 79 F HA 0.212 4.739 4.527 0.000 0.000 0.304 79 F C 0.492 176.263 175.800 -0.048 0.000 1.129 79 F CA 0.438 58.409 58.000 -0.047 0.000 1.378 79 F CB -0.352 38.682 39.000 0.057 0.000 1.095 79 F HN 0.257 nan 8.300 nan 0.000 0.565 80 E N 0.915 121.138 120.200 0.038 0.000 2.210 80 E HA -0.236 4.115 4.350 0.000 0.000 0.201 80 E C -0.337 176.286 176.600 0.038 0.000 1.339 80 E CA 0.226 56.632 56.400 0.011 0.000 0.699 80 E CB -1.037 28.669 29.700 0.010 0.000 1.126 80 E HN 0.436 nan 8.360 nan 0.000 0.355 81 M N -0.223 119.378 119.600 0.002 0.000 2.667 81 M HA 0.320 4.801 4.480 0.000 0.000 0.286 81 M C -0.070 176.196 176.300 -0.058 0.000 1.270 81 M CA -0.791 54.521 55.300 0.020 0.000 0.826 81 M CB 2.119 34.799 32.600 0.133 0.000 1.743 81 M HN -0.005 nan 8.290 nan 0.000 0.460 82 Q N -0.177 119.632 119.800 0.014 0.000 2.256 82 Q HA 0.478 4.819 4.340 0.000 0.000 0.232 82 Q C 0.801 176.832 176.000 0.051 0.000 0.965 82 Q CA -0.116 55.694 55.803 0.011 0.000 0.908 82 Q CB 1.311 30.076 28.738 0.044 0.000 1.209 82 Q HN 0.863 nan 8.270 nan 0.000 0.489 83 A N 0.673 123.519 122.820 0.044 0.000 1.940 83 A HA -0.188 4.133 4.320 0.000 0.000 0.219 83 A C 1.907 179.648 177.584 0.261 0.000 1.176 83 A CA 2.156 54.280 52.037 0.145 0.000 0.631 83 A CB -0.929 18.125 19.000 0.090 0.000 0.814 83 A HN 0.878 nan 8.150 nan 0.000 0.446 84 T N -2.389 112.264 114.554 0.165 0.000 3.148 84 T HA 0.068 4.418 4.350 0.000 0.000 0.253 84 T C -0.020 174.756 174.700 0.125 0.000 1.134 84 T CA 0.214 62.389 62.100 0.124 0.000 1.051 84 T CB -0.354 68.557 68.868 0.072 0.000 0.959 84 T HN 0.261 nan 8.240 nan 0.000 0.525 85 D N 3.290 123.809 120.400 0.198 0.000 2.341 85 D HA 0.298 4.939 4.640 0.000 0.000 0.245 85 D C 0.627 176.978 176.300 0.086 0.000 1.106 85 D CA 0.153 54.251 54.000 0.162 0.000 0.905 85 D CB 1.481 42.414 40.800 0.221 0.000 1.202 85 D HN 0.472 nan 8.370 nan 0.000 0.426 86 T N -1.019 113.529 114.554 -0.010 0.000 2.928 86 T HA 0.720 5.070 4.350 0.000 0.000 0.284 86 T C 0.114 174.713 174.700 -0.168 0.000 1.008 86 T CA -0.745 61.297 62.100 -0.098 0.000 1.057 86 T CB 1.053 69.885 68.868 -0.059 0.000 1.018 86 T HN 0.400 nan 8.240 nan 0.000 0.493 87 I N 1.108 121.553 120.570 -0.209 0.000 2.908 87 I HA 0.473 4.644 4.170 0.000 0.000 0.300 87 I C -0.536 175.520 176.117 -0.101 0.000 1.385 87 I CA -0.674 60.459 61.300 -0.279 0.000 1.004 87 I CB 2.288 39.874 38.000 -0.691 0.000 1.309 87 I HN 1.054 nan 8.210 nan 0.000 0.449 88 S N 3.477 119.096 115.700 -0.134 0.000 2.687 88 S HA 0.428 4.898 4.470 0.000 0.000 0.283 88 S C 0.626 175.113 174.600 -0.187 0.000 1.170 88 S CA -0.505 57.666 58.200 -0.048 0.000 1.008 88 S CB 1.748 64.929 63.200 -0.032 0.000 1.026 88 S HN 0.747 nan 8.310 nan 0.000 0.541 89 E N 0.568 120.690 120.200 -0.130 0.000 2.058 89 E HA -0.201 4.149 4.350 0.000 0.000 0.194 89 E C 1.816 178.319 176.600 -0.162 0.000 0.997 89 E CA 1.239 57.487 56.400 -0.253 0.000 0.801 89 E CB -0.139 29.495 29.700 -0.109 0.000 0.746 89 E HN 0.788 nan 8.360 nan 0.000 0.450 90 E N 1.218 121.369 120.200 -0.082 0.000 2.110 90 E HA -0.244 4.106 4.350 0.000 0.000 0.193 90 E C 1.994 178.571 176.600 -0.039 0.000 0.988 90 E CA 1.337 57.710 56.400 -0.045 0.000 0.804 90 E CB 0.071 29.758 29.700 -0.022 0.000 0.745 90 E HN 0.352 nan 8.360 nan 0.000 0.458 91 Q N 0.115 119.872 119.800 -0.072 0.000 2.046 91 Q HA -0.087 4.253 4.340 0.000 0.000 0.200 91 Q C 2.588 178.577 176.000 -0.020 0.000 0.975 91 Q CA 1.245 57.013 55.803 -0.058 0.000 0.836 91 Q CB -0.084 28.569 28.738 -0.142 0.000 0.896 91 Q HN 0.300 nan 8.270 nan 0.000 0.428 92 L N 0.214 121.341 121.223 -0.159 0.000 2.079 92 L HA -0.219 4.122 4.340 0.000 0.000 0.210 92 L C 2.381 179.324 176.870 0.122 0.000 1.081 92 L CA 0.991 55.811 54.840 -0.033 0.000 0.752 92 L CB -0.571 41.298 42.059 -0.316 0.000 0.896 92 L HN 0.243 nan 8.230 nan 0.000 0.433 93 A N -0.315 122.517 122.820 0.021 0.000 2.178 93 A HA -0.172 4.148 4.320 0.000 0.000 0.218 93 A C 2.279 179.904 177.584 0.068 0.000 1.157 93 A CA 1.784 53.843 52.037 0.036 0.000 0.689 93 A CB -0.777 18.222 19.000 -0.001 0.000 0.787 93 A HN 0.557 nan 8.150 nan 0.000 0.465 94 T N -2.872 111.749 114.554 0.111 0.000 3.088 94 T HA 0.181 4.532 4.350 0.000 0.000 0.259 94 T C 0.525 175.257 174.700 0.052 0.000 1.122 94 T CA 0.094 62.249 62.100 0.092 0.000 1.095 94 T CB -0.454 68.485 68.868 0.120 0.000 0.930 94 T HN 0.138 nan 8.240 nan 0.000 0.508 95 L N 3.847 125.098 121.223 0.047 0.000 2.369 95 L HA 0.348 4.689 4.340 0.000 0.000 0.279 95 L C 1.437 178.273 176.870 -0.057 0.000 1.108 95 L CA 0.435 55.210 54.840 -0.108 0.000 0.852 95 L CB 0.948 42.883 42.059 -0.207 0.000 1.169 95 L HN 0.375 nan 8.230 nan 0.000 0.452 96 T N -0.527 113.980 114.554 -0.077 0.000 3.044 96 T HA 0.215 4.565 4.350 0.000 0.000 0.250 96 T C 0.653 175.319 174.700 -0.057 0.000 1.081 96 T CA 0.328 62.399 62.100 -0.048 0.000 1.040 96 T CB 0.004 68.844 68.868 -0.046 0.000 0.962 96 T HN 0.478 nan 8.240 nan 0.000 0.506 97 S N 0.117 115.762 115.700 -0.091 0.000 2.543 97 S HA 0.680 5.150 4.470 0.000 0.000 0.271 97 S C -2.101 172.437 174.600 -0.102 0.000 1.148 97 S CA -0.837 57.308 58.200 -0.091 0.000 0.914 97 S CB 1.605 64.735 63.200 -0.116 0.000 1.096 97 S HN 0.389 nan 8.310 nan 0.000 0.471 98 L N 3.852 125.043 121.223 -0.054 0.000 2.436 98 L HA 0.748 5.088 4.340 0.000 0.000 0.268 98 L C -1.757 175.118 176.870 0.009 0.000 0.974 98 L CA -0.138 54.682 54.840 -0.033 0.000 0.826 98 L CB 2.131 44.202 42.059 0.020 0.000 1.291 98 L HN 0.695 nan 8.230 nan 0.000 0.406 99 D N 3.628 124.035 120.400 0.012 0.000 2.469 99 D HA 0.342 4.983 4.640 0.000 0.000 0.251 99 D C -0.303 176.051 176.300 0.089 0.000 1.173 99 D CA -0.258 53.787 54.000 0.075 0.000 0.882 99 D CB 1.268 42.113 40.800 0.075 0.000 1.129 99 D HN 0.718 nan 8.370 nan 0.000 0.549 100 C N 3.695 123.057 119.300 0.104 0.000 2.741 100 C HA 0.407 4.867 4.460 0.000 0.000 0.267 100 C C 0.807 175.798 174.990 0.003 0.000 1.549 100 C CA -0.868 58.176 59.018 0.043 0.000 1.772 100 C CB -1.621 26.189 27.740 0.116 0.000 2.962 100 C HN 0.624 nan 8.230 nan 0.000 0.514 101 H N 0.247 119.325 119.070 0.013 0.000 2.871 101 H HA 0.123 4.679 4.556 0.000 0.000 0.355 101 H C 0.471 175.803 175.328 0.007 0.000 1.092 101 H CA 1.443 57.498 56.048 0.011 0.000 1.420 101 H CB 0.156 29.926 29.762 0.013 0.000 1.400 101 H HN 0.430 nan 8.280 nan 0.000 0.604 102 N N 1.483 120.182 118.700 -0.002 0.000 2.714 102 N HA -0.205 4.536 4.740 0.000 0.000 0.253 102 N C -0.810 174.642 175.510 -0.097 0.000 1.024 102 N CA 1.058 54.084 53.050 -0.040 0.000 0.726 102 N CB -1.174 37.319 38.487 0.009 0.000 0.908 102 N HN 0.599 nan 8.380 nan 0.000 0.542 103 S N -0.731 114.930 115.700 -0.065 0.000 2.730 103 S HA 0.213 4.683 4.470 0.000 0.000 0.244 103 S C 0.297 174.889 174.600 -0.014 0.000 1.022 103 S CA 0.215 58.385 58.200 -0.051 0.000 1.014 103 S CB 0.506 63.678 63.200 -0.047 0.000 0.963 103 S HN 0.497 nan 8.310 nan 0.000 0.540 104 S N 1.328 117.023 115.700 -0.009 0.000 3.682 104 S HA -0.168 4.303 4.470 0.000 0.000 0.354 104 S C -0.050 174.558 174.600 0.013 0.000 1.034 104 S CA 0.306 58.507 58.200 0.003 0.000 1.084 104 S CB -1.669 61.534 63.200 0.005 0.000 0.903 104 S HN 0.599 nan 8.310 nan 0.000 0.470 105 I N 1.828 122.401 120.570 0.005 0.000 2.315 105 I HA 0.189 4.359 4.170 0.000 0.000 0.291 105 I C 1.625 177.732 176.117 -0.015 0.000 1.006 105 I CA -0.014 61.288 61.300 0.004 0.000 1.265 105 I CB 1.406 39.389 38.000 -0.029 0.000 1.387 105 I HN 0.430 nan 8.210 nan 0.000 0.475 106 T N 0.088 114.643 114.554 0.003 0.000 3.040 106 T HA 0.103 4.454 4.350 0.000 0.000 0.252 106 T C 0.456 175.148 174.700 -0.013 0.000 1.064 106 T CA 0.177 62.275 62.100 -0.003 0.000 1.110 106 T CB 0.253 69.128 68.868 0.013 0.000 0.921 106 T HN 0.404 nan 8.240 nan 0.000 0.480 107 D N 0.353 120.752 120.400 -0.001 0.000 2.696 107 D HA 0.348 4.988 4.640 0.000 0.000 0.251 107 D C -0.002 176.281 176.300 -0.028 0.000 1.188 107 D CA -0.515 53.492 54.000 0.011 0.000 0.876 107 D CB 1.806 42.649 40.800 0.072 0.000 1.334 107 D HN -0.026 nan 8.370 nan 0.000 0.540 108 M N 1.814 121.347 119.600 -0.112 0.000 2.551 108 M HA 0.053 4.534 4.480 0.000 0.000 0.252 108 M C 0.814 177.201 176.300 0.145 0.000 1.219 108 M CA -0.046 55.092 55.300 -0.272 0.000 0.978 108 M CB -0.468 31.924 32.600 -0.347 0.000 1.533 108 M HN 0.245 nan 8.290 nan 0.000 0.474 109 T N 0.267 114.956 114.554 0.225 0.000 2.888 109 T HA 0.362 4.712 4.350 0.000 0.000 0.301 109 T C 1.299 176.253 174.700 0.424 0.000 1.001 109 T CA 1.820 64.070 62.100 0.251 0.000 1.147 109 T CB 0.516 69.481 68.868 0.162 0.000 0.931 109 T HN 0.794 nan 8.240 nan 0.000 0.541 110 G N 4.391 113.382 108.800 0.319 0.000 2.278 110 G HA2 -0.238 3.722 3.960 0.000 0.000 0.210 110 G HA3 -0.238 3.722 3.960 0.000 0.000 0.210 110 G C 0.890 176.062 174.900 0.454 0.000 1.000 110 G CA 0.274 45.488 45.100 0.189 0.000 0.635 110 G HN 0.782 nan 8.290 nan 0.000 0.495 111 I N 2.617 123.572 120.570 0.643 0.000 2.315 111 I HA -0.152 4.018 4.170 0.000 0.000 0.251 111 I C 2.725 179.011 176.117 0.282 0.000 1.125 111 I CA 2.671 64.281 61.300 0.517 0.000 1.392 111 I CB -0.125 38.084 38.000 0.349 0.000 1.065 111 I HN 0.540 nan 8.210 nan 0.000 0.424 112 E N 0.337 120.651 120.200 0.191 0.000 2.273 112 E HA -0.267 4.083 4.350 0.000 0.000 0.198 112 E C 1.492 178.133 176.600 0.069 0.000 1.002 112 E CA 1.233 57.699 56.400 0.110 0.000 0.828 112 E CB -0.635 29.116 29.700 0.085 0.000 0.747 112 E HN 0.468 nan 8.360 nan 0.000 0.491 113 K N 0.476 120.904 120.400 0.046 0.000 2.400 113 K HA 0.180 4.500 4.320 0.000 0.000 0.194 113 K C 1.058 177.649 176.600 -0.016 0.000 1.033 113 K CA 0.123 56.365 56.287 -0.074 0.000 1.021 113 K CB 0.224 32.531 32.500 -0.322 0.000 0.808 113 K HN 0.247 nan 8.250 nan 0.000 0.505 114 L N 2.719 124.010 121.223 0.113 0.000 2.536 114 L HA 0.095 4.435 4.340 0.000 0.000 0.242 114 L C 1.333 178.260 176.870 0.094 0.000 1.280 114 L CA -0.207 54.716 54.840 0.138 0.000 1.221 114 L CB -0.051 42.137 42.059 0.215 0.000 1.449 114 L HN 0.089 nan 8.230 nan 0.000 0.405 115 T N -4.263 110.324 114.554 0.056 0.000 3.088 115 T HA -0.029 4.322 4.350 0.000 0.000 0.259 115 T C 1.764 176.488 174.700 0.040 0.000 1.122 115 T CA 0.688 62.815 62.100 0.044 0.000 1.095 115 T CB 0.223 69.107 68.868 0.026 0.000 0.930 115 T HN 0.492 nan 8.240 nan 0.000 0.508 116 G N 1.195 110.019 108.800 0.041 0.000 2.650 116 G HA2 0.214 4.174 3.960 0.000 0.000 0.214 116 G HA3 0.214 4.174 3.960 0.000 0.000 0.214 116 G C 0.535 175.451 174.900 0.027 0.000 1.136 116 G CA -0.379 44.739 45.100 0.031 0.000 0.789 116 G HN 0.536 nan 8.290 nan 0.000 0.536 117 L N 2.274 123.520 121.223 0.038 0.000 2.654 117 L HA 0.041 4.381 4.340 0.000 0.000 0.271 117 L C 2.088 178.981 176.870 0.039 0.000 1.169 117 L CA 0.293 55.154 54.840 0.036 0.000 0.947 117 L CB 0.738 42.835 42.059 0.063 0.000 1.232 117 L HN 0.252 nan 8.230 nan 0.000 0.486 118 T N -0.249 114.320 114.554 0.025 0.000 3.057 118 T HA 0.046 4.396 4.350 0.000 0.000 0.254 118 T C 0.571 175.307 174.700 0.059 0.000 1.094 118 T CA -0.010 62.112 62.100 0.036 0.000 1.088 118 T CB 0.287 69.165 68.868 0.015 0.000 0.934 118 T HN 0.436 nan 8.240 nan 0.000 0.497 119 K N 0.301 120.726 120.400 0.041 0.000 2.507 119 K HA 0.608 4.928 4.320 0.000 0.000 0.251 119 K C -2.240 174.410 176.600 0.082 0.000 0.943 119 K CA -1.090 55.236 56.287 0.065 0.000 0.794 119 K CB 1.879 34.322 32.500 -0.095 0.000 1.188 119 K HN 0.154 nan 8.250 nan 0.000 0.428 120 L N 6.157 127.482 121.223 0.170 0.000 2.406 120 L HA 0.556 4.896 4.340 0.000 0.000 0.272 120 L C -1.665 175.316 176.870 0.186 0.000 0.980 120 L CA -0.358 54.565 54.840 0.140 0.000 0.831 120 L CB 1.496 43.627 42.059 0.119 0.000 1.253 120 L HN 0.665 nan 8.230 nan 0.000 0.406 121 I N 5.366 126.022 120.570 0.143 0.000 2.354 121 I HA 0.274 4.444 4.170 0.000 0.000 0.286 121 I C 0.054 176.241 176.117 0.118 0.000 1.007 121 I CA -0.545 60.846 61.300 0.151 0.000 1.167 121 I CB 1.210 39.286 38.000 0.127 0.000 1.320 121 I HN 0.857 nan 8.210 nan 0.000 0.458 122 C N 1.110 120.465 119.300 0.092 0.000 2.859 122 C HA 0.340 4.800 4.460 0.000 0.000 0.256 122 C C 0.869 175.896 174.990 0.060 0.000 1.660 122 C CA -0.582 58.467 59.018 0.052 0.000 1.755 122 C CB -1.611 26.116 27.740 -0.022 0.000 3.127 122 C HN 0.642 nan 8.230 nan 0.000 0.494 123 T N 2.114 116.729 114.554 0.101 0.000 2.937 123 T HA 0.273 4.623 4.350 0.000 0.000 0.316 123 T C 0.871 175.628 174.700 0.095 0.000 1.079 123 T CA 1.350 63.505 62.100 0.092 0.000 1.131 123 T CB 0.310 69.234 68.868 0.094 0.000 1.000 123 T HN 0.856 nan 8.240 nan 0.000 0.549 124 S N 2.535 118.271 115.700 0.060 0.000 3.697 124 S HA -0.131 4.339 4.470 0.000 0.000 0.388 124 S C 0.154 174.773 174.600 0.032 0.000 0.941 124 S CA 0.149 58.379 58.200 0.050 0.000 1.247 124 S CB -1.209 62.036 63.200 0.075 0.000 0.904 124 S HN 0.755 nan 8.310 nan 0.000 0.518 125 N N 0.580 119.288 118.700 0.013 0.000 3.167 125 N HA 0.400 5.140 4.740 0.000 0.000 0.323 125 N C -0.287 175.218 175.510 -0.009 0.000 1.478 125 N CA -0.850 52.197 53.050 -0.004 0.000 0.753 125 N CB 0.702 39.177 38.487 -0.020 0.000 1.721 125 N HN 0.163 nan 8.380 nan 0.000 0.618 126 N N 0.661 119.352 118.700 -0.014 0.000 2.458 126 N HA 0.325 5.065 4.740 0.000 0.000 0.274 126 N C -0.541 174.958 175.510 -0.019 0.000 1.242 126 N CA -0.014 53.028 53.050 -0.012 0.000 0.904 126 N CB 0.651 39.135 38.487 -0.006 0.000 1.206 126 N HN 0.440 nan 8.380 nan 0.000 0.510 127 I N 1.226 121.778 120.570 -0.030 0.000 2.505 127 I HA -0.029 4.141 4.170 0.000 0.000 0.287 127 I C 1.688 177.789 176.117 -0.027 0.000 1.104 127 I CA 0.240 61.517 61.300 -0.040 0.000 1.387 127 I CB 0.788 38.749 38.000 -0.064 0.000 1.404 127 I HN 0.110 nan 8.210 nan 0.000 0.528 128 T N 0.100 114.642 114.554 -0.020 0.000 3.065 128 T HA 0.071 4.421 4.350 0.000 0.000 0.252 128 T C 0.699 175.392 174.700 -0.012 0.000 1.099 128 T CA 0.042 62.134 62.100 -0.013 0.000 1.063 128 T CB 0.231 69.094 68.868 -0.007 0.000 0.948 128 T HN 0.574 nan 8.240 nan 0.000 0.506 129 T N 0.612 115.157 114.554 -0.014 0.000 2.932 129 T HA 0.593 4.943 4.350 0.000 0.000 0.318 129 T C -2.488 172.203 174.700 -0.015 0.000 1.265 129 T CA -0.676 61.419 62.100 -0.009 0.000 1.036 129 T CB 1.745 70.613 68.868 0.000 0.000 1.209 129 T HN 0.169 nan 8.240 nan 0.000 0.484 130 L N 4.155 125.373 121.223 -0.009 0.000 2.518 130 L HA 0.531 4.871 4.340 0.000 0.000 0.262 130 L C -1.147 175.729 176.870 0.011 0.000 0.982 130 L CA -0.494 54.342 54.840 -0.008 0.000 0.873 130 L CB 1.540 43.588 42.059 -0.018 0.000 1.198 130 L HN 0.661 nan 8.230 nan 0.000 0.427 131 D N 4.418 124.833 120.400 0.025 0.000 2.393 131 D HA 0.241 4.881 4.640 0.000 0.000 0.232 131 D C 0.275 176.602 176.300 0.046 0.000 1.192 131 D CA 0.166 54.186 54.000 0.034 0.000 0.882 131 D CB 0.630 41.455 40.800 0.040 0.000 1.038 131 D HN 0.597 nan 8.370 nan 0.000 0.499 132 L N 2.987 124.234 121.223 0.040 0.000 2.818 132 L HA 0.093 4.433 4.340 0.000 0.000 0.243 132 L C 2.001 178.897 176.870 0.043 0.000 1.185 132 L CA -0.151 54.718 54.840 0.048 0.000 0.988 132 L CB -0.080 42.005 42.059 0.044 0.000 1.292 132 L HN 0.373 nan 8.230 nan 0.000 0.519 133 S N -0.604 115.119 115.700 0.038 0.000 2.419 133 S HA -0.177 4.294 4.470 0.000 0.000 0.235 133 S C 1.669 176.289 174.600 0.034 0.000 1.019 133 S CA 0.804 59.023 58.200 0.031 0.000 0.982 133 S CB -0.063 63.153 63.200 0.026 0.000 0.789 133 S HN 0.456 nan 8.310 nan 0.000 0.490 134 Q N 1.101 120.926 119.800 0.042 0.000 2.384 134 Q HA 0.230 4.571 4.340 0.000 0.000 0.207 134 Q C -0.014 176.014 176.000 0.046 0.000 0.904 134 Q CA 0.323 56.151 55.803 0.042 0.000 0.933 134 Q CB -0.556 28.209 28.738 0.044 0.000 1.077 134 Q HN 0.700 nan 8.270 nan 0.000 0.522 135 N N 1.160 119.893 118.700 0.054 0.000 2.843 135 N HA -0.010 4.731 4.740 0.000 0.000 0.284 135 N C 0.743 176.283 175.510 0.050 0.000 1.274 135 N CA 0.131 53.216 53.050 0.059 0.000 1.045 135 N CB 0.373 38.905 38.487 0.075 0.000 1.370 135 N HN 0.156 nan 8.380 nan 0.000 0.525 136 T N -3.191 111.387 114.554 0.040 0.000 3.051 136 T HA -0.046 4.304 4.350 0.000 0.000 0.269 136 T C 1.313 176.034 174.700 0.035 0.000 1.127 136 T CA 0.640 62.761 62.100 0.034 0.000 1.107 136 T CB -0.017 68.867 68.868 0.027 0.000 0.898 136 T HN 0.163 nan 8.240 nan 0.000 0.517 137 N N 0.967 119.690 118.700 0.038 0.000 2.461 137 N HA 0.176 4.916 4.740 0.000 0.000 0.188 137 N C 0.263 175.801 175.510 0.047 0.000 1.134 137 N CA 0.036 53.109 53.050 0.037 0.000 0.878 137 N CB -0.223 38.283 38.487 0.032 0.000 0.972 137 N HN 0.484 nan 8.380 nan 0.000 0.456 138 L N 1.338 122.595 121.223 0.057 0.000 2.559 138 L HA -0.034 4.306 4.340 0.000 0.000 0.274 138 L C 1.792 178.713 176.870 0.085 0.000 1.205 138 L CA 0.232 55.117 54.840 0.076 0.000 0.907 138 L CB 0.633 42.741 42.059 0.083 0.000 1.153 138 L HN 0.169 nan 8.230 nan 0.000 0.490 139 T N -0.042 114.576 114.554 0.107 0.000 2.990 139 T HA 0.040 4.390 4.350 0.000 0.000 0.249 139 T C 0.017 174.844 174.700 0.212 0.000 1.039 139 T CA 0.027 62.205 62.100 0.129 0.000 1.036 139 T CB 0.075 69.008 68.868 0.108 0.000 0.994 139 T HN 0.375 nan 8.240 nan 0.000 0.489 140 Y N 0.995 121.335 120.300 0.067 0.000 2.338 140 Y HA 0.633 5.183 4.550 0.000 0.000 0.333 140 Y C -1.740 174.226 175.900 0.110 0.000 0.968 140 Y CA -1.819 56.339 58.100 0.097 0.000 1.123 140 Y CB 1.667 40.095 38.460 -0.054 0.000 1.165 140 Y HN 0.152 nan 8.280 nan 0.000 0.452 141 L N 6.660 127.922 121.223 0.064 0.000 2.377 141 L HA 0.801 5.141 4.340 0.000 0.000 0.270 141 L C -1.277 175.606 176.870 0.022 0.000 0.991 141 L CA -0.616 54.273 54.840 0.081 0.000 0.851 141 L CB 1.174 43.272 42.059 0.063 0.000 1.218 141 L HN 0.694 nan 8.230 nan 0.000 0.420 142 A N 4.344 127.221 122.820 0.096 0.000 2.322 142 A HA 0.522 4.842 4.320 0.000 0.000 0.327 142 A C 0.617 178.256 177.584 0.092 0.000 1.394 142 A CA -0.149 51.957 52.037 0.116 0.000 0.921 142 A CB -0.159 18.962 19.000 0.203 0.000 1.153 142 A HN 1.049 nan 8.150 nan 0.000 0.523 143 C N 1.572 120.903 119.300 0.051 0.000 2.760 143 C HA 0.327 4.788 4.460 0.000 0.000 0.293 143 C C 0.176 175.177 174.990 0.018 0.000 1.383 143 C CA -0.735 58.300 59.018 0.028 0.000 1.771 143 C CB -1.610 26.136 27.740 0.010 0.000 2.353 143 C HN 0.739 nan 8.230 nan 0.000 0.578 144 D N 0.782 121.200 120.400 0.031 0.000 2.382 144 D HA 0.099 4.739 4.640 0.000 0.000 0.240 144 D C 0.282 176.593 176.300 0.018 0.000 1.146 144 D CA 0.515 54.527 54.000 0.020 0.000 0.897 144 D CB 0.723 41.544 40.800 0.035 0.000 1.197 144 D HN 0.353 nan 8.370 nan 0.000 0.432 145 S N 0.874 116.576 115.700 0.004 0.000 3.766 145 S HA -0.136 4.334 4.470 0.000 0.000 0.416 145 S C -0.513 174.088 174.600 0.003 0.000 0.902 145 S CA 0.227 58.429 58.200 0.003 0.000 1.283 145 S CB -1.383 61.825 63.200 0.014 0.000 0.891 145 S HN 0.661 nan 8.310 nan 0.000 0.556 146 N N 0.479 119.174 118.700 -0.007 0.000 3.343 146 N HA 0.425 5.165 4.740 0.000 0.000 0.330 146 N C -0.191 175.310 175.510 -0.015 0.000 1.560 146 N CA -0.778 52.265 53.050 -0.011 0.000 0.752 146 N CB 0.858 39.336 38.487 -0.015 0.000 1.863 146 N HN 0.189 nan 8.380 nan 0.000 0.636 147 K N 0.962 121.352 120.400 -0.017 0.000 3.045 147 K HA 0.410 4.730 4.320 0.000 0.000 0.211 147 K C -0.578 176.012 176.600 -0.017 0.000 1.141 147 K CA -0.119 56.159 56.287 -0.016 0.000 1.036 147 K CB 0.190 32.682 32.500 -0.013 0.000 0.851 147 K HN 0.265 nan 8.250 nan 0.000 0.462 148 L N 1.740 122.952 121.223 -0.019 0.000 2.418 148 L HA 0.035 4.375 4.340 0.000 0.000 0.274 148 L C 1.707 178.566 176.870 -0.018 0.000 1.135 148 L CA 0.035 54.864 54.840 -0.019 0.000 0.870 148 L CB 0.744 42.791 42.059 -0.020 0.000 1.154 148 L HN 0.337 nan 8.230 nan 0.000 0.462 149 T N -1.274 113.271 114.554 -0.015 0.000 3.054 149 T HA 0.062 4.412 4.350 0.000 0.000 0.259 149 T C 0.543 175.234 174.700 -0.014 0.000 1.092 149 T CA 0.020 62.111 62.100 -0.014 0.000 1.121 149 T CB -0.104 68.757 68.868 -0.011 0.000 0.912 149 T HN 0.694 nan 8.240 nan 0.000 0.489 150 N N 0.238 118.930 118.700 -0.013 0.000 2.591 150 N HA 0.506 5.247 4.740 0.000 0.000 0.263 150 N C -2.161 173.342 175.510 -0.013 0.000 1.308 150 N CA -0.931 52.111 53.050 -0.013 0.000 0.837 150 N CB 2.275 40.756 38.487 -0.010 0.000 1.548 150 N HN 0.194 nan 8.380 nan 0.000 0.493 151 L N 0.543 121.758 121.223 -0.014 0.000 2.596 151 L HA 0.417 4.758 4.340 0.000 0.000 0.265 151 L C -1.714 175.150 176.870 -0.011 0.000 0.962 151 L CA -0.293 54.540 54.840 -0.012 0.000 0.891 151 L CB 1.581 43.630 42.059 -0.016 0.000 1.248 151 L HN 0.666 nan 8.230 nan 0.000 0.410 152 D N 3.208 123.605 120.400 -0.006 0.000 2.313 152 D HA 0.379 5.020 4.640 0.000 0.000 0.239 152 D C 0.637 176.936 176.300 -0.002 0.000 1.142 152 D CA 0.151 54.148 54.000 -0.005 0.000 0.847 152 D CB 1.609 42.408 40.800 -0.002 0.000 1.082 152 D HN 0.417 nan 8.370 nan 0.000 0.480 153 V N 1.386 121.296 119.914 -0.007 0.000 3.276 153 V HA 0.129 4.249 4.120 0.000 0.000 0.319 153 V C 1.685 177.776 176.094 -0.005 0.000 1.427 153 V CA 0.515 62.814 62.300 -0.003 0.000 1.102 153 V CB -0.411 31.409 31.823 -0.006 0.000 1.020 153 V HN 0.596 nan 8.190 nan 0.000 0.456 154 T N -0.639 113.909 114.554 -0.010 0.000 2.833 154 T HA -0.012 4.338 4.350 0.000 0.000 0.269 154 T C 0.305 175.000 174.700 -0.008 0.000 1.054 154 T CA 1.835 63.925 62.100 -0.016 0.000 1.135 154 T CB -1.597 67.258 68.868 -0.022 0.000 0.869 154 T HN 0.562 nan 8.240 nan 0.000 0.466 155 P HA 0.198 nan 4.420 nan 0.000 0.231 155 P C 0.530 177.837 177.300 0.012 0.000 1.168 155 P CA 0.383 63.487 63.100 0.007 0.000 0.779 155 P CB -0.259 31.448 31.700 0.012 0.000 0.844 156 L N 1.567 122.799 121.223 0.015 0.000 2.437 156 L HA 0.127 4.467 4.340 0.000 0.000 0.243 156 L C 1.655 178.537 176.870 0.021 0.000 1.346 156 L CA -0.034 54.820 54.840 0.023 0.000 1.233 156 L CB -0.687 41.389 42.059 0.029 0.000 1.436 156 L HN 0.001 nan 8.230 nan 0.000 0.416 157 T N -3.350 111.215 114.554 0.018 0.000 3.072 157 T HA -0.090 4.260 4.350 0.000 0.000 0.266 157 T C 1.302 176.016 174.700 0.024 0.000 1.127 157 T CA 0.627 62.737 62.100 0.016 0.000 1.107 157 T CB -0.080 68.796 68.868 0.012 0.000 0.910 157 T HN 0.421 nan 8.240 nan 0.000 0.513 158 K N 0.393 120.813 120.400 0.032 0.000 2.410 158 K HA 0.339 4.659 4.320 0.000 0.000 0.200 158 K C -0.124 176.508 176.600 0.054 0.000 1.023 158 K CA -0.472 55.839 56.287 0.040 0.000 1.149 158 K CB 0.175 32.699 32.500 0.039 0.000 0.859 158 K HN 0.238 nan 8.250 nan 0.000 0.514 159 L N 2.061 123.316 121.223 0.052 0.000 2.410 159 L HA 0.009 4.350 4.340 0.000 0.000 0.273 159 L C 1.014 177.929 176.870 0.074 0.000 1.144 159 L CA 0.980 55.860 54.840 0.067 0.000 0.863 159 L CB 0.887 42.974 42.059 0.047 0.000 1.140 159 L HN 0.199 nan 8.230 nan 0.000 0.463 160 T N 1.387 116.008 114.554 0.113 0.000 2.975 160 T HA 0.195 4.545 4.350 0.000 0.000 0.257 160 T C -0.107 174.709 174.700 0.192 0.000 1.003 160 T CA -0.006 62.173 62.100 0.131 0.000 0.932 160 T CB -0.211 68.739 68.868 0.137 0.000 1.087 160 T HN 0.407 nan 8.240 nan 0.000 0.512 161 Y N 0.861 121.173 120.300 0.020 0.000 2.361 161 Y HA 0.631 5.181 4.550 0.000 0.000 0.328 161 Y C -2.107 173.717 175.900 -0.127 0.000 1.044 161 Y CA -1.670 56.407 58.100 -0.038 0.000 1.085 161 Y CB 1.770 40.114 38.460 -0.194 0.000 1.194 161 Y HN 0.188 nan 8.280 nan 0.000 0.438 162 L N 7.092 128.158 121.223 -0.261 0.000 2.441 162 L HA 0.561 4.901 4.340 0.000 0.000 0.270 162 L C -2.070 174.641 176.870 -0.265 0.000 0.973 162 L CA -0.454 54.277 54.840 -0.181 0.000 0.842 162 L CB 1.597 43.584 42.059 -0.119 0.000 1.239 162 L HN 0.732 nan 8.230 nan 0.000 0.406 163 N N 4.104 122.720 118.700 -0.140 0.000 2.573 163 N HA 0.313 5.054 4.740 0.000 0.000 0.262 163 N C -0.202 175.296 175.510 -0.021 0.000 1.029 163 N CA -0.441 52.578 53.050 -0.050 0.000 0.882 163 N CB 1.051 39.607 38.487 0.116 0.000 1.204 163 N HN 0.742 nan 8.380 nan 0.000 0.519 164 C N 1.043 120.310 119.300 -0.055 0.000 2.638 164 C HA 0.395 4.856 4.460 0.000 0.000 0.282 164 C C 0.502 175.462 174.990 -0.049 0.000 1.473 164 C CA -1.197 57.797 59.018 -0.041 0.000 1.781 164 C CB -1.368 26.342 27.740 -0.050 0.000 2.780 164 C HN 0.533 nan 8.230 nan 0.000 0.531 165 D N 2.045 122.418 120.400 -0.045 0.000 2.488 165 D HA 0.081 4.722 4.640 0.000 0.000 0.238 165 D C 0.461 176.732 176.300 -0.049 0.000 1.138 165 D CA 1.798 55.762 54.000 -0.059 0.000 0.873 165 D CB 0.644 41.426 40.800 -0.031 0.000 1.183 165 D HN 0.609 nan 8.370 nan 0.000 0.458 166 T N 2.745 117.256 114.554 -0.071 0.000 3.102 166 T HA -0.145 4.205 4.350 0.000 0.000 0.447 166 T C -0.285 174.390 174.700 -0.042 0.000 0.772 166 T CA 0.363 62.429 62.100 -0.057 0.000 2.328 166 T CB -1.156 67.687 68.868 -0.042 0.000 1.672 166 T HN 0.570 nan 8.240 nan 0.000 0.625 167 N N 0.813 119.485 118.700 -0.046 0.000 3.387 167 N HA 0.424 5.164 4.740 0.000 0.000 0.322 167 N C -0.245 175.242 175.510 -0.037 0.000 1.588 167 N CA -0.876 52.153 53.050 -0.036 0.000 0.778 167 N CB 1.260 39.727 38.487 -0.034 0.000 1.883 167 N HN 0.283 nan 8.380 nan 0.000 0.628 168 K N 1.091 121.473 120.400 -0.031 0.000 3.045 168 K HA 0.431 4.751 4.320 0.000 0.000 0.211 168 K C -0.561 176.023 176.600 -0.026 0.000 1.141 168 K CA -0.089 56.181 56.287 -0.028 0.000 1.036 168 K CB 0.332 32.819 32.500 -0.022 0.000 0.851 168 K HN 0.268 nan 8.250 nan 0.000 0.462 169 L N 1.087 122.291 121.223 -0.031 0.000 2.349 169 L HA 0.163 4.503 4.340 0.000 0.000 0.275 169 L C 1.566 178.420 176.870 -0.026 0.000 1.115 169 L CA -0.089 54.734 54.840 -0.028 0.000 0.820 169 L CB 1.095 43.134 42.059 -0.033 0.000 1.135 169 L HN 0.311 nan 8.230 nan 0.000 0.445 170 T N -2.175 112.366 114.554 -0.021 0.000 2.990 170 T HA 0.219 4.569 4.350 0.000 0.000 0.249 170 T C 0.605 175.295 174.700 -0.017 0.000 1.039 170 T CA -0.116 61.974 62.100 -0.018 0.000 1.036 170 T CB 0.419 69.279 68.868 -0.014 0.000 0.994 170 T HN 0.282 nan 8.240 nan 0.000 0.489 171 K N 0.743 121.133 120.400 -0.017 0.000 2.400 171 K HA 0.782 5.102 4.320 0.000 0.000 0.246 171 K C -1.675 174.912 176.600 -0.021 0.000 0.995 171 K CA -1.021 55.256 56.287 -0.017 0.000 0.840 171 K CB 2.535 35.028 32.500 -0.013 0.000 1.293 171 K HN 0.182 nan 8.250 nan 0.000 0.445 172 L N 1.317 122.527 121.223 -0.022 0.000 2.661 172 L HA 0.276 4.617 4.340 0.000 0.000 0.263 172 L C -1.770 175.086 176.870 -0.023 0.000 0.956 172 L CA -0.289 54.535 54.840 -0.027 0.000 0.918 172 L CB 1.726 43.763 42.059 -0.038 0.000 1.280 172 L HN 0.546 nan 8.230 nan 0.000 0.416 173 D N 3.539 123.925 120.400 -0.023 0.000 2.485 173 D HA 0.313 4.953 4.640 0.000 0.000 0.221 173 D C 0.656 176.940 176.300 -0.027 0.000 1.112 173 D CA -0.042 53.944 54.000 -0.023 0.000 0.911 173 D CB 1.178 41.963 40.800 -0.025 0.000 1.019 173 D HN 0.365 nan 8.370 nan 0.000 0.516 174 V N 1.648 121.548 119.914 -0.022 0.000 3.342 174 V HA 0.125 4.245 4.120 0.000 0.000 0.322 174 V C 1.513 177.599 176.094 -0.014 0.000 1.370 174 V CA 0.488 62.775 62.300 -0.021 0.000 1.170 174 V CB -0.486 31.322 31.823 -0.025 0.000 1.101 174 V HN 0.416 nan 8.190 nan 0.000 0.442 175 S N 0.158 115.834 115.700 -0.041 0.000 2.507 175 S HA -0.086 4.384 4.470 0.000 0.000 0.235 175 S C 1.450 175.956 174.600 -0.158 0.000 0.988 175 S CA 0.781 58.907 58.200 -0.123 0.000 0.944 175 S CB -0.380 62.653 63.200 -0.279 0.000 0.762 175 S HN 0.647 nan 8.310 nan 0.000 0.526 176 Q N 1.180 120.927 119.800 -0.088 0.000 2.204 176 Q HA 0.302 4.642 4.340 0.000 0.000 0.209 176 Q C -0.764 175.223 176.000 -0.022 0.000 0.861 176 Q CA 0.088 55.855 55.803 -0.061 0.000 0.971 176 Q CB -0.432 28.275 28.738 -0.052 0.000 1.095 176 Q HN 0.708 nan 8.270 nan 0.000 0.486 177 N N 1.901 120.596 118.700 -0.008 0.000 2.990 177 N HA 0.121 4.861 4.740 0.000 0.000 0.288 177 N C -1.975 173.548 175.510 0.023 0.000 1.624 177 N CA -1.081 51.974 53.050 0.009 0.000 0.961 177 N CB 1.016 39.505 38.487 0.004 0.000 1.259 177 N HN -0.013 nan 8.380 nan 0.000 0.489 178 P HA -0.116 nan 4.420 nan 0.000 0.225 178 P C 0.482 177.803 177.300 0.035 0.000 1.148 178 P CA 0.896 64.019 63.100 0.039 0.000 0.779 178 P CB 0.392 32.115 31.700 0.038 0.000 0.780 179 L N -0.986 120.258 121.223 0.035 0.000 2.653 179 L HA 0.200 4.541 4.340 0.000 0.000 0.231 179 L C 1.212 178.109 176.870 0.046 0.000 1.153 179 L CA -0.486 54.378 54.840 0.040 0.000 0.933 179 L CB -0.283 41.802 42.059 0.043 0.000 1.175 179 L HN -0.053 nan 8.230 nan 0.000 0.473 180 L N 1.205 122.450 121.223 0.036 0.000 2.499 180 L HA -0.020 4.320 4.340 0.000 0.000 0.273 180 L C 1.459 178.350 176.870 0.035 0.000 1.195 180 L CA 0.524 55.382 54.840 0.029 0.000 0.882 180 L CB 1.213 43.272 42.059 -0.000 0.000 1.133 180 L HN 0.303 nan 8.230 nan 0.000 0.483 181 T N 0.133 114.723 114.554 0.060 0.000 2.964 181 T HA 0.034 4.385 4.350 0.000 0.000 0.250 181 T C -0.081 174.676 174.700 0.094 0.000 0.982 181 T CA -0.074 62.072 62.100 0.077 0.000 0.959 181 T CB 0.101 69.033 68.868 0.106 0.000 1.141 181 T HN 0.374 nan 8.240 nan 0.000 0.494 182 Y N 1.710 121.953 120.300 -0.095 0.000 2.426 182 Y HA 0.670 5.221 4.550 0.000 0.000 0.325 182 Y C -1.507 174.189 175.900 -0.339 0.000 0.989 182 Y CA -1.936 56.025 58.100 -0.231 0.000 1.284 182 Y CB 1.153 39.406 38.460 -0.345 0.000 1.104 182 Y HN 0.208 nan 8.280 nan 0.000 0.481 183 L N 6.754 127.645 121.223 -0.553 0.000 2.287 183 L HA 0.545 4.885 4.340 0.000 0.000 0.287 183 L C -1.383 175.070 176.870 -0.695 0.000 1.022 183 L CA -0.237 54.308 54.840 -0.492 0.000 0.814 183 L CB 1.084 42.983 42.059 -0.267 0.000 1.217 183 L HN 0.729 nan 8.230 nan 0.000 0.420 184 N N 4.292 122.619 118.700 -0.621 0.000 2.617 184 N HA 0.218 4.958 4.740 0.000 0.000 0.263 184 N C -0.553 174.818 175.510 -0.233 0.000 1.074 184 N CA -0.572 52.207 53.050 -0.451 0.000 0.841 184 N CB 0.820 39.038 38.487 -0.448 0.000 1.221 184 N HN 0.710 nan 8.380 nan 0.000 0.529 185 C N 2.174 121.362 119.300 -0.187 0.000 2.352 185 C HA 0.826 5.286 4.460 0.000 0.000 0.321 185 C C 1.177 176.084 174.990 -0.139 0.000 1.407 185 C CA -1.181 57.757 59.018 -0.135 0.000 1.783 185 C CB -1.768 25.907 27.740 -0.109 0.000 2.698 185 C HN 0.651 nan 8.230 nan 0.000 0.555 186 A N 1.039 123.755 122.820 -0.173 0.000 2.366 186 A HA 0.550 4.870 4.320 0.000 0.000 0.250 186 A C 1.117 178.557 177.584 -0.241 0.000 1.099 186 A CA -0.184 51.685 52.037 -0.280 0.000 0.794 186 A CB -0.047 18.692 19.000 -0.436 0.000 1.056 186 A HN 0.752 nan 8.150 nan 0.000 0.499 187 R N -0.165 120.157 120.500 -0.297 0.000 3.301 187 R HA -0.178 4.162 4.340 0.000 0.000 0.249 187 R C -0.175 176.054 176.300 -0.119 0.000 0.964 187 R CA 0.917 56.899 56.100 -0.196 0.000 0.653 187 R CB -1.595 28.591 30.300 -0.189 0.000 1.043 187 R HN 0.778 nan 8.270 nan 0.000 0.454 188 N N -0.694 117.944 118.700 -0.102 0.000 2.879 188 N HA 0.303 5.043 4.740 0.000 0.000 0.329 188 N C 0.617 176.095 175.510 -0.053 0.000 1.337 188 N CA -0.059 52.950 53.050 -0.069 0.000 0.844 188 N CB 1.155 39.603 38.487 -0.065 0.000 1.236 188 N HN 0.175 nan 8.380 nan 0.000 0.601 189 T N -1.278 113.252 114.554 -0.039 0.000 3.393 189 T HA 0.431 4.782 4.350 0.000 0.000 0.255 189 T C 0.339 175.026 174.700 -0.022 0.000 1.008 189 T CA -0.423 61.661 62.100 -0.027 0.000 1.053 189 T CB -0.859 67.995 68.868 -0.023 0.000 1.120 189 T HN 0.177 nan 8.240 nan 0.000 0.538 190 L N 1.676 122.883 121.223 -0.025 0.000 2.436 190 L HA 0.406 4.747 4.340 0.000 0.000 0.265 190 L C 1.873 178.736 176.870 -0.012 0.000 1.168 190 L CA -0.448 54.380 54.840 -0.021 0.000 0.815 190 L CB 0.988 43.031 42.059 -0.027 0.000 1.109 190 L HN 0.516 nan 8.230 nan 0.000 0.462 191 T N -2.672 111.877 114.554 -0.009 0.000 2.971 191 T HA 0.178 4.529 4.350 0.000 0.000 0.252 191 T C 0.207 174.906 174.700 -0.003 0.000 1.022 191 T CA -0.236 61.862 62.100 -0.003 0.000 0.980 191 T CB 0.202 69.069 68.868 -0.002 0.000 1.044 191 T HN 0.736 nan 8.240 nan 0.000 0.501 192 E N -0.053 120.144 120.200 -0.006 0.000 2.449 192 E HA 0.664 5.015 4.350 0.000 0.000 0.278 192 E C -1.960 174.635 176.600 -0.009 0.000 0.992 192 E CA -1.340 55.057 56.400 -0.005 0.000 0.807 192 E CB 1.711 31.410 29.700 -0.002 0.000 1.350 192 E HN 0.069 nan 8.360 nan 0.000 0.462 193 I N 1.916 122.481 120.570 -0.009 0.000 2.576 193 I HA 0.199 4.369 4.170 0.000 0.000 0.279 193 I C -1.791 174.322 176.117 -0.007 0.000 1.114 193 I CA -0.440 60.851 61.300 -0.014 0.000 1.076 193 I CB 1.464 39.448 38.000 -0.026 0.000 1.212 193 I HN 0.623 nan 8.210 nan 0.000 0.472 194 D N 5.934 126.338 120.400 0.006 0.000 2.344 194 D HA 0.161 4.801 4.640 0.000 0.000 0.253 194 D C 0.903 177.221 176.300 0.030 0.000 1.255 194 D CA 0.132 54.146 54.000 0.022 0.000 0.894 194 D CB 1.040 41.870 40.800 0.048 0.000 1.067 194 D HN 0.343 nan 8.370 nan 0.000 0.492 195 V N 1.733 121.654 119.914 0.011 0.000 3.271 195 V HA 0.097 4.217 4.120 0.000 0.000 0.327 195 V C 1.646 177.741 176.094 0.000 0.000 1.389 195 V CA 0.502 62.807 62.300 0.009 0.000 1.156 195 V CB -0.446 31.367 31.823 -0.017 0.000 1.103 195 V HN 0.457 nan 8.190 nan 0.000 0.453 196 S N 0.216 115.901 115.700 -0.025 0.000 2.419 196 S HA -0.235 4.235 4.470 0.000 0.000 0.235 196 S C 1.686 176.160 174.600 -0.211 0.000 1.019 196 S CA 1.712 59.833 58.200 -0.132 0.000 0.982 196 S CB -0.938 62.141 63.200 -0.202 0.000 0.789 196 S HN 0.805 nan 8.310 nan 0.000 0.490 197 H N 1.001 120.065 119.070 -0.010 0.000 2.563 197 H HA 0.250 4.806 4.556 0.000 0.000 0.264 197 H C -0.110 175.214 175.328 -0.007 0.000 0.957 197 H CA 0.270 56.314 56.048 -0.007 0.000 1.173 197 H CB -0.216 29.542 29.762 -0.007 0.000 1.420 197 H HN 0.527 nan 8.280 nan 0.000 0.551 198 N N 1.419 120.166 118.700 0.079 0.000 3.229 198 N HA -0.010 4.730 4.740 0.000 0.000 0.275 198 N C 1.065 176.586 175.510 0.017 0.000 1.225 198 N CA -0.137 52.938 53.050 0.042 0.000 1.119 198 N CB 0.793 39.293 38.487 0.022 0.000 1.392 198 N HN 0.196 nan 8.380 nan 0.000 0.520 199 T N -2.178 112.388 114.554 0.019 0.000 3.085 199 T HA -0.090 4.260 4.350 0.000 0.000 0.263 199 T C 1.130 175.836 174.700 0.010 0.000 1.127 199 T CA 0.757 62.861 62.100 0.007 0.000 1.103 199 T CB 0.107 68.978 68.868 0.005 0.000 0.921 199 T HN 0.166 nan 8.240 nan 0.000 0.510 200 Q N 0.441 120.251 119.800 0.017 0.000 2.204 200 Q HA 0.370 4.710 4.340 0.000 0.000 0.209 200 Q C -0.203 175.810 176.000 0.022 0.000 0.861 200 Q CA -0.277 55.538 55.803 0.021 0.000 0.971 200 Q CB 0.018 28.773 28.738 0.028 0.000 1.095 200 Q HN 0.389 nan 8.270 nan 0.000 0.486 201 L N 2.357 123.586 121.223 0.011 0.000 2.361 201 L HA 0.066 4.406 4.340 0.000 0.000 0.278 201 L C 1.288 178.163 176.870 0.008 0.000 1.113 201 L CA 0.742 55.584 54.840 0.003 0.000 0.849 201 L CB 1.008 43.055 42.059 -0.019 0.000 1.155 201 L HN 0.156 nan 8.230 nan 0.000 0.452 202 T N 0.353 114.922 114.554 0.024 0.000 3.034 202 T HA 0.162 4.512 4.350 0.000 0.000 0.248 202 T C 0.514 175.231 174.700 0.028 0.000 1.040 202 T CA -0.020 62.100 62.100 0.033 0.000 1.107 202 T CB 0.127 69.027 68.868 0.055 0.000 0.932 202 T HN 0.509 nan 8.240 nan 0.000 0.474 203 E N 0.198 120.410 120.200 0.021 0.000 2.246 203 E HA 0.547 4.897 4.350 0.000 0.000 0.266 203 E C -2.082 174.432 176.600 -0.142 0.000 0.880 203 E CA -1.025 55.365 56.400 -0.016 0.000 0.762 203 E CB 1.727 31.483 29.700 0.093 0.000 1.180 203 E HN 0.191 nan 8.360 nan 0.000 0.416 204 L N 4.362 125.506 121.223 -0.131 0.000 2.376 204 L HA 0.533 4.874 4.340 0.000 0.000 0.275 204 L C -1.686 175.099 176.870 -0.142 0.000 0.987 204 L CA -0.392 54.346 54.840 -0.170 0.000 0.828 204 L CB 1.778 43.776 42.059 -0.101 0.000 1.249 204 L HN 0.524 nan 8.230 nan 0.000 0.409 205 D N 4.251 124.533 120.400 -0.197 0.000 2.446 205 D HA 0.272 4.912 4.640 0.000 0.000 0.251 205 D C -0.137 176.123 176.300 -0.067 0.000 1.137 205 D CA -0.287 53.665 54.000 -0.081 0.000 0.890 205 D CB 0.938 41.688 40.800 -0.082 0.000 1.071 205 D HN 0.713 nan 8.370 nan 0.000 0.528 206 C N 3.884 123.179 119.300 -0.009 0.000 2.638 206 C HA 0.425 4.885 4.460 0.000 0.000 0.282 206 C C 0.772 175.782 174.990 0.032 0.000 1.473 206 C CA -0.898 58.105 59.018 -0.025 0.000 1.781 206 C CB -1.651 26.071 27.740 -0.029 0.000 2.780 206 C HN 0.618 nan 8.230 nan 0.000 0.531 207 H N 0.430 119.508 119.070 0.013 0.000 2.615 207 H HA 0.369 4.925 4.556 0.000 0.000 0.363 207 H C 0.624 175.990 175.328 0.063 0.000 1.148 207 H CA -0.011 56.085 56.048 0.080 0.000 1.401 207 H CB 0.640 30.478 29.762 0.126 0.000 1.461 207 H HN 0.444 nan 8.280 nan 0.000 0.588 208 L N 1.393 122.704 121.223 0.146 0.000 4.040 208 L HA -0.302 4.038 4.340 0.000 0.000 0.410 208 L C 0.832 177.670 176.870 -0.053 0.000 1.187 208 L CA 0.478 55.319 54.840 0.001 0.000 0.956 208 L CB -1.091 40.857 42.059 -0.185 0.000 2.022 208 L HN 0.773 nan 8.230 nan 0.000 0.897 209 N N 0.389 119.081 118.700 -0.014 0.000 2.409 209 N HA -0.049 4.691 4.740 0.000 0.000 0.179 209 N C 1.264 176.779 175.510 0.009 0.000 1.032 209 N CA 1.234 54.273 53.050 -0.019 0.000 0.898 209 N CB 0.171 38.647 38.487 -0.019 0.000 0.971 209 N HN 0.487 nan 8.380 nan 0.000 0.441 210 K N -1.050 119.379 120.400 0.047 0.000 3.467 210 K HA -0.166 4.154 4.320 0.000 0.000 0.375 210 K C 0.405 177.031 176.600 0.042 0.000 0.589 210 K CA 1.432 57.755 56.287 0.060 0.000 1.651 210 K CB -0.789 31.735 32.500 0.040 0.000 1.135 210 K HN 0.036 nan 8.250 nan 0.000 0.459 211 K N 0.851 121.266 120.400 0.024 0.000 2.373 211 K HA 0.317 4.638 4.320 0.000 0.000 0.202 211 K C 0.480 177.088 176.600 0.013 0.000 1.025 211 K CA 0.089 56.386 56.287 0.016 0.000 1.115 211 K CB 0.472 32.977 32.500 0.008 0.000 0.858 211 K HN 0.315 nan 8.250 nan 0.000 0.525 212 I N 2.603 123.183 120.570 0.016 0.000 2.517 212 I HA -0.061 4.109 4.170 0.000 0.000 0.285 212 I C 1.539 177.664 176.117 0.012 0.000 1.106 212 I CA 0.278 61.585 61.300 0.012 0.000 1.402 212 I CB 0.915 38.922 38.000 0.012 0.000 1.399 212 I HN 0.114 nan 8.210 nan 0.000 0.535 213 T N 2.267 116.826 114.554 0.007 0.000 2.990 213 T HA 0.200 4.550 4.350 0.000 0.000 0.249 213 T C 0.574 175.276 174.700 0.004 0.000 1.039 213 T CA -0.085 62.018 62.100 0.006 0.000 1.036 213 T CB 0.408 69.279 68.868 0.005 0.000 0.994 213 T HN 0.299 nan 8.240 nan 0.000 0.489 214 K N 1.169 121.571 120.400 0.002 0.000 2.324 214 K HA 0.729 5.050 4.320 0.000 0.000 0.253 214 K C -1.705 174.895 176.600 -0.001 0.000 0.932 214 K CA -0.948 55.340 56.287 0.000 0.000 0.799 214 K CB 2.545 35.044 32.500 -0.001 0.000 1.154 214 K HN 0.189 nan 8.250 nan 0.000 0.425 215 L N 1.850 123.072 121.223 -0.002 0.000 2.441 215 L HA 0.379 4.720 4.340 0.000 0.000 0.270 215 L C -1.568 175.298 176.870 -0.007 0.000 0.973 215 L CA -0.317 54.520 54.840 -0.004 0.000 0.842 215 L CB 1.755 43.813 42.059 -0.001 0.000 1.239 215 L HN 0.584 nan 8.230 nan 0.000 0.406 216 D N 3.334 123.727 120.400 -0.011 0.000 2.441 216 D HA 0.387 5.027 4.640 0.000 0.000 0.231 216 D C 0.230 176.519 176.300 -0.017 0.000 1.073 216 D CA -0.160 53.832 54.000 -0.014 0.000 0.850 216 D CB 1.487 42.276 40.800 -0.018 0.000 1.062 216 D HN 0.333 nan 8.370 nan 0.000 0.524 217 V N 1.824 121.729 119.914 -0.015 0.000 3.085 217 V HA 0.190 4.310 4.120 0.000 0.000 0.345 217 V C 1.542 177.627 176.094 -0.016 0.000 1.397 217 V CA 0.449 62.740 62.300 -0.016 0.000 1.165 217 V CB -0.458 31.357 31.823 -0.013 0.000 1.153 217 V HN 0.559 nan 8.190 nan 0.000 0.495 218 T N -0.990 113.553 114.554 -0.018 0.000 2.833 218 T HA 0.011 4.362 4.350 0.000 0.000 0.269 218 T C -0.060 174.628 174.700 -0.020 0.000 1.054 218 T CA 1.812 63.901 62.100 -0.017 0.000 1.135 218 T CB -1.516 67.342 68.868 -0.018 0.000 0.869 218 T HN 0.548 nan 8.240 nan 0.000 0.466 219 P HA 0.151 nan 4.420 nan 0.000 0.236 219 P C 0.268 177.556 177.300 -0.020 0.000 1.177 219 P CA 0.514 63.597 63.100 -0.029 0.000 0.773 219 P CB -0.174 31.498 31.700 -0.046 0.000 0.878 220 Q N 0.002 119.792 119.800 -0.017 0.000 3.027 220 Q HA 0.090 4.431 4.340 0.000 0.000 0.260 220 Q C 1.148 177.145 176.000 -0.006 0.000 1.379 220 Q CA 0.176 55.972 55.803 -0.011 0.000 1.038 220 Q CB -0.940 27.790 28.738 -0.013 0.000 1.578 220 Q HN 0.225 nan 8.270 nan 0.000 0.571 221 T N -2.301 112.250 114.554 -0.004 0.000 2.977 221 T HA -0.139 4.211 4.350 0.000 0.000 0.271 221 T C 1.114 175.815 174.700 0.003 0.000 1.105 221 T CA 0.867 62.966 62.100 -0.001 0.000 1.116 221 T CB 0.165 69.032 68.868 -0.001 0.000 0.878 221 T HN 0.252 nan 8.240 nan 0.000 0.509 222 Q N 0.181 119.984 119.800 0.005 0.000 2.320 222 Q HA 0.344 4.685 4.340 0.000 0.000 0.201 222 Q C 0.117 176.124 176.000 0.012 0.000 0.910 222 Q CA -0.212 55.597 55.803 0.010 0.000 0.946 222 Q CB -0.040 28.706 28.738 0.015 0.000 1.062 222 Q HN 0.441 nan 8.270 nan 0.000 0.503 223 L N 2.251 123.478 121.223 0.008 0.000 2.477 223 L HA 0.001 4.342 4.340 0.000 0.000 0.272 223 L C 1.330 178.207 176.870 0.013 0.000 1.157 223 L CA 0.844 55.689 54.840 0.007 0.000 0.889 223 L CB 0.886 42.946 42.059 0.001 0.000 1.158 223 L HN 0.126 nan 8.230 nan 0.000 0.473 224 T N -0.905 113.659 114.554 0.017 0.000 3.018 224 T HA 0.194 4.545 4.350 0.000 0.000 0.246 224 T C 0.700 175.411 174.700 0.018 0.000 1.026 224 T CA 0.266 62.378 62.100 0.020 0.000 1.081 224 T CB 0.107 68.989 68.868 0.023 0.000 0.970 224 T HN 0.505 nan 8.240 nan 0.000 0.475 225 T N 2.453 117.016 114.554 0.015 0.000 2.848 225 T HA 0.711 5.061 4.350 0.000 0.000 0.285 225 T C -1.817 172.883 174.700 -0.001 0.000 0.995 225 T CA -0.552 61.551 62.100 0.006 0.000 0.970 225 T CB 1.858 70.727 68.868 0.002 0.000 0.976 225 T HN 0.277 nan 8.240 nan 0.000 0.441 226 L N 3.447 124.674 121.223 0.007 0.000 2.409 226 L HA 0.690 5.030 4.340 0.000 0.000 0.272 226 L C -1.496 175.382 176.870 0.014 0.000 0.980 226 L CA -0.448 54.395 54.840 0.004 0.000 0.826 226 L CB 1.835 43.902 42.059 0.013 0.000 1.268 226 L HN 0.489 nan 8.230 nan 0.000 0.407 227 D N 3.977 124.383 120.400 0.010 0.000 2.440 227 D HA 0.292 4.932 4.640 0.000 0.000 0.252 227 D C -0.186 176.156 176.300 0.069 0.000 1.180 227 D CA -0.307 53.711 54.000 0.030 0.000 0.894 227 D CB 1.039 41.843 40.800 0.005 0.000 1.111 227 D HN 0.696 nan 8.370 nan 0.000 0.544 228 C N 2.500 121.840 119.300 0.067 0.000 2.638 228 C HA 0.550 5.010 4.460 0.000 0.000 0.282 228 C C 0.689 175.739 174.990 0.099 0.000 1.473 228 C CA -0.735 58.330 59.018 0.079 0.000 1.781 228 C CB -1.944 25.820 27.740 0.039 0.000 2.780 228 C HN 0.414 nan 8.230 nan 0.000 0.531 229 S N -0.374 115.411 115.700 0.143 0.000 2.593 229 S HA 0.602 5.072 4.470 0.000 0.000 0.269 229 S C -0.124 174.648 174.600 0.287 0.000 1.334 229 S CA -0.088 58.169 58.200 0.096 0.000 1.015 229 S CB -0.304 62.918 63.200 0.037 0.000 0.912 229 S HN 0.914 nan 8.310 nan 0.000 0.541 230 F N -0.099 119.892 119.950 0.069 0.000 2.905 230 F HA -0.180 4.347 4.527 0.000 0.000 0.291 230 F C 0.355 176.180 175.800 0.042 0.000 1.002 230 F CA 0.361 58.397 58.000 0.059 0.000 0.978 230 F CB -2.140 36.909 39.000 0.081 0.000 1.036 230 F HN 0.667 nan 8.300 nan 0.000 0.820 231 N N 0.310 119.086 118.700 0.127 0.000 3.283 231 N HA 0.446 5.186 4.740 0.000 0.000 0.338 231 N C 0.270 175.806 175.510 0.044 0.000 1.517 231 N CA -0.822 52.277 53.050 0.082 0.000 0.733 231 N CB 0.966 39.491 38.487 0.063 0.000 1.797 231 N HN -0.049 nan 8.380 nan 0.000 0.637 232 K N 1.059 121.477 120.400 0.030 0.000 2.832 232 K HA 0.425 4.746 4.320 0.000 0.000 0.211 232 K C -0.023 176.583 176.600 0.009 0.000 1.112 232 K CA -0.248 56.049 56.287 0.016 0.000 1.108 232 K CB -0.281 32.228 32.500 0.015 0.000 0.899 232 K HN 0.472 nan 8.250 nan 0.000 0.464 233 I N 1.948 122.523 120.570 0.008 0.000 2.618 233 I HA -0.103 4.067 4.170 0.000 0.000 0.284 233 I C 1.599 177.716 176.117 0.000 0.000 1.146 233 I CA 0.486 61.789 61.300 0.005 0.000 1.425 233 I CB 0.734 38.737 38.000 0.006 0.000 1.383 233 I HN 0.214 nan 8.210 nan 0.000 0.562 234 T N 0.839 115.393 114.554 0.001 0.000 2.990 234 T HA 0.270 4.620 4.350 0.000 0.000 0.250 234 T C 0.475 175.174 174.700 -0.000 0.000 1.041 234 T CA -0.097 62.003 62.100 -0.001 0.000 1.010 234 T CB 0.224 69.092 68.868 -0.000 0.000 1.003 234 T HN 0.582 nan 8.240 nan 0.000 0.499 235 E N 0.285 120.485 120.200 0.000 0.000 2.290 235 E HA 0.607 4.957 4.350 0.000 0.000 0.274 235 E C -2.210 174.390 176.600 0.001 0.000 0.889 235 E CA -0.829 55.572 56.400 0.000 0.000 0.760 235 E CB 2.555 32.255 29.700 -0.001 0.000 1.206 235 E HN 0.061 nan 8.360 nan 0.000 0.419 236 L N 3.211 124.435 121.223 0.002 0.000 2.415 236 L HA 0.338 4.678 4.340 0.000 0.000 0.268 236 L C -1.468 175.403 176.870 0.002 0.000 0.984 236 L CA -0.462 54.380 54.840 0.003 0.000 0.853 236 L CB 1.456 43.519 42.059 0.007 0.000 1.215 236 L HN 0.378 nan 8.230 nan 0.000 0.419 237 D N 3.425 123.825 120.400 -0.000 0.000 2.428 237 D HA 0.264 4.905 4.640 0.000 0.000 0.221 237 D C 0.473 176.772 176.300 -0.001 0.000 1.123 237 D CA -0.073 53.926 54.000 -0.002 0.000 0.869 237 D CB 1.200 41.998 40.800 -0.004 0.000 1.032 237 D HN 0.321 nan 8.370 nan 0.000 0.506 238 V N 1.746 121.660 119.914 0.001 0.000 3.043 238 V HA 0.168 4.288 4.120 0.000 0.000 0.357 238 V C 1.375 177.468 176.094 -0.001 0.000 1.372 238 V CA 0.320 62.621 62.300 0.001 0.000 1.214 238 V CB -0.319 31.508 31.823 0.007 0.000 1.224 238 V HN 0.407 nan 8.190 nan 0.000 0.507 239 S N -0.157 115.542 115.700 -0.003 0.000 2.489 239 S HA -0.040 4.430 4.470 0.000 0.000 0.228 239 S C 1.590 176.187 174.600 -0.005 0.000 0.995 239 S CA 0.491 58.689 58.200 -0.004 0.000 0.934 239 S CB -0.231 62.966 63.200 -0.005 0.000 0.771 239 S HN 0.590 nan 8.310 nan 0.000 0.522 240 Q N 1.384 121.181 119.800 -0.005 0.000 2.392 240 Q HA 0.225 4.565 4.340 0.000 0.000 0.203 240 Q C -0.359 175.639 176.000 -0.003 0.000 0.917 240 Q CA 0.293 56.093 55.803 -0.005 0.000 0.939 240 Q CB -0.568 28.165 28.738 -0.008 0.000 1.063 240 Q HN 0.704 nan 8.270 nan 0.000 0.516 241 N N 0.934 119.633 118.700 -0.002 0.000 3.322 241 N HA 0.108 4.848 4.740 0.000 0.000 0.290 241 N C 0.477 175.989 175.510 0.003 0.000 1.297 241 N CA -0.102 52.949 53.050 0.001 0.000 1.167 241 N CB 0.585 39.074 38.487 0.003 0.000 1.434 241 N HN -0.007 nan 8.380 nan 0.000 0.526 242 K N 0.163 120.563 120.400 0.001 0.000 2.211 242 K HA 0.017 4.337 4.320 0.000 0.000 0.203 242 K C 0.863 177.465 176.600 0.004 0.000 1.050 242 K CA 0.862 57.150 56.287 0.001 0.000 0.945 242 K CB 0.134 32.633 32.500 -0.000 0.000 0.732 242 K HN 0.394 nan 8.250 nan 0.000 0.451 243 L N 1.369 122.596 121.223 0.006 0.000 2.612 243 L HA 0.076 4.416 4.340 0.000 0.000 0.230 243 L C 0.265 177.143 176.870 0.013 0.000 1.140 243 L CA -0.539 54.306 54.840 0.009 0.000 0.896 243 L CB -0.187 41.879 42.059 0.010 0.000 1.065 243 L HN 0.123 nan 8.230 nan 0.000 0.447 244 L N 1.089 122.320 121.223 0.014 0.000 2.490 244 L HA -0.026 4.314 4.340 0.000 0.000 0.274 244 L C 1.082 177.969 176.870 0.028 0.000 1.201 244 L CA 0.849 55.702 54.840 0.021 0.000 0.869 244 L CB 0.226 42.298 42.059 0.021 0.000 1.123 244 L HN 0.145 nan 8.230 nan 0.000 0.484 245 N N 3.007 121.730 118.700 0.037 0.000 2.430 245 N HA 0.076 4.817 4.740 0.000 0.000 0.235 245 N C -0.020 175.540 175.510 0.083 0.000 1.108 245 N CA -0.048 53.032 53.050 0.049 0.000 0.834 245 N CB 0.655 39.162 38.487 0.032 0.000 1.430 245 N HN 0.600 nan 8.380 nan 0.000 0.463 246 R N 1.252 121.795 120.500 0.072 0.000 2.476 246 R HA 0.417 4.758 4.340 0.000 0.000 0.305 246 R C -1.807 174.568 176.300 0.125 0.000 0.965 246 R CA -0.544 55.622 56.100 0.110 0.000 0.867 246 R CB 1.192 31.459 30.300 -0.055 0.000 1.176 246 R HN 0.093 nan 8.270 nan 0.000 0.447 247 L N 4.302 125.659 121.223 0.223 0.000 2.406 247 L HA 0.506 4.846 4.340 0.000 0.000 0.272 247 L C -1.743 175.256 176.870 0.215 0.000 0.980 247 L CA -0.411 54.523 54.840 0.158 0.000 0.831 247 L CB 1.821 43.944 42.059 0.108 0.000 1.253 247 L HN 0.613 nan 8.230 nan 0.000 0.406 248 N N 4.051 122.840 118.700 0.150 0.000 2.531 248 N HA 0.322 5.062 4.740 0.000 0.000 0.268 248 N C -0.336 175.214 175.510 0.067 0.000 1.023 248 N CA -0.440 52.695 53.050 0.141 0.000 0.896 248 N CB 1.316 39.886 38.487 0.138 0.000 1.233 248 N HN 0.763 nan 8.380 nan 0.000 0.512 249 C N 1.166 120.493 119.300 0.045 0.000 2.849 249 C HA 0.422 4.882 4.460 0.000 0.000 0.271 249 C C 0.276 175.244 174.990 -0.037 0.000 1.519 249 C CA -0.974 58.051 59.018 0.011 0.000 1.783 249 C CB -1.829 25.922 27.740 0.019 0.000 2.869 249 C HN 0.662 nan 8.230 nan 0.000 0.527 250 D N 0.186 120.541 120.400 -0.075 0.000 2.357 250 D HA 0.345 4.985 4.640 0.000 0.000 0.242 250 D C 0.422 176.532 176.300 -0.318 0.000 1.153 250 D CA 0.453 54.355 54.000 -0.164 0.000 0.918 250 D CB 0.303 41.009 40.800 -0.157 0.000 1.181 250 D HN 0.343 nan 8.370 nan 0.000 0.435 251 T N 0.833 115.196 114.554 -0.319 0.000 3.730 251 T HA -0.144 4.206 4.350 0.000 0.000 0.391 251 T C -0.707 173.877 174.700 -0.193 0.000 0.763 251 T CA 0.413 62.298 62.100 -0.358 0.000 2.052 251 T CB -1.898 66.464 68.868 -0.844 0.000 1.751 251 T HN 0.675 nan 8.240 nan 0.000 0.772 252 N N 0.467 119.102 118.700 -0.108 0.000 3.387 252 N HA 0.381 5.122 4.740 0.000 0.000 0.322 252 N C -0.356 175.134 175.510 -0.033 0.000 1.588 252 N CA -0.874 52.147 53.050 -0.049 0.000 0.778 252 N CB 1.030 39.495 38.487 -0.037 0.000 1.883 252 N HN 0.141 nan 8.380 nan 0.000 0.628 253 N N 0.862 119.551 118.700 -0.018 0.000 2.535 253 N HA 0.344 5.084 4.740 0.000 0.000 0.294 253 N C -0.617 174.888 175.510 -0.009 0.000 1.408 253 N CA 0.005 53.048 53.050 -0.013 0.000 0.927 253 N CB 0.891 39.374 38.487 -0.006 0.000 1.276 253 N HN 0.427 nan 8.380 nan 0.000 0.505 254 I N 1.112 121.676 120.570 -0.011 0.000 2.396 254 I HA 0.029 4.199 4.170 0.000 0.000 0.289 254 I C 1.692 177.807 176.117 -0.003 0.000 1.056 254 I CA 0.096 61.393 61.300 -0.005 0.000 1.365 254 I CB 0.967 38.966 38.000 -0.003 0.000 1.407 254 I HN 0.113 nan 8.210 nan 0.000 0.509 255 T N 1.751 116.305 114.554 -0.001 0.000 3.023 255 T HA 0.132 4.482 4.350 0.000 0.000 0.249 255 T C 0.567 175.270 174.700 0.004 0.000 1.050 255 T CA 0.061 62.161 62.100 0.000 0.000 1.088 255 T CB 0.328 69.195 68.868 -0.000 0.000 0.946 255 T HN 0.495 nan 8.240 nan 0.000 0.480 256 K N 0.182 120.585 120.400 0.005 0.000 2.427 256 K HA 0.646 4.966 4.320 0.000 0.000 0.252 256 K C -2.297 174.309 176.600 0.009 0.000 0.931 256 K CA -1.140 55.151 56.287 0.007 0.000 0.793 256 K CB 2.043 34.546 32.500 0.005 0.000 1.211 256 K HN 0.118 nan 8.250 nan 0.000 0.426 257 L N 3.779 125.010 121.223 0.013 0.000 2.518 257 L HA 0.315 4.656 4.340 0.000 0.000 0.262 257 L C -1.673 175.204 176.870 0.010 0.000 0.982 257 L CA -0.343 54.506 54.840 0.014 0.000 0.873 257 L CB 1.497 43.570 42.059 0.023 0.000 1.198 257 L HN 0.646 nan 8.230 nan 0.000 0.427 258 D N 4.468 124.871 120.400 0.005 0.000 2.365 258 D HA 0.244 4.884 4.640 0.000 0.000 0.237 258 D C 0.273 176.570 176.300 -0.004 0.000 1.190 258 D CA 0.144 54.144 54.000 -0.001 0.000 0.867 258 D CB 0.692 41.491 40.800 -0.002 0.000 1.050 258 D HN 0.610 nan 8.370 nan 0.000 0.491 259 L N 3.473 124.690 121.223 -0.011 0.000 2.818 259 L HA 0.206 4.546 4.340 0.000 0.000 0.243 259 L C 1.375 178.231 176.870 -0.024 0.000 1.185 259 L CA -0.330 54.499 54.840 -0.018 0.000 0.988 259 L CB -0.136 41.906 42.059 -0.030 0.000 1.292 259 L HN 0.270 nan 8.230 nan 0.000 0.519 260 N N 0.558 119.247 118.700 -0.020 0.000 2.205 260 N HA -0.168 4.573 4.740 0.000 0.000 0.186 260 N C 1.638 177.137 175.510 -0.018 0.000 1.015 260 N CA 1.148 54.185 53.050 -0.021 0.000 0.862 260 N CB 0.067 38.545 38.487 -0.016 0.000 0.986 260 N HN 0.345 nan 8.380 nan 0.000 0.429 261 Q N -0.085 119.707 119.800 -0.014 0.000 2.425 261 Q HA 0.127 4.468 4.340 0.000 0.000 0.204 261 Q C -0.108 175.886 176.000 -0.010 0.000 0.933 261 Q CA 0.271 56.067 55.803 -0.011 0.000 0.939 261 Q CB -0.329 28.404 28.738 -0.008 0.000 1.044 261 Q HN 0.458 nan 8.270 nan 0.000 0.513 262 N N 1.454 120.146 118.700 -0.012 0.000 2.994 262 N HA 0.138 4.878 4.740 0.000 0.000 0.306 262 N C 0.979 176.480 175.510 -0.015 0.000 1.348 262 N CA -0.097 52.948 53.050 -0.009 0.000 1.109 262 N CB -0.006 38.478 38.487 -0.005 0.000 1.415 262 N HN 0.274 nan 8.380 nan 0.000 0.529 263 I N -1.800 118.761 120.570 -0.016 0.000 3.456 263 I HA -0.085 4.085 4.170 0.000 0.000 0.291 263 I C 0.471 176.579 176.117 -0.014 0.000 1.307 263 I CA 0.567 61.855 61.300 -0.021 0.000 1.333 263 I CB -0.228 37.760 38.000 -0.020 0.000 1.032 263 I HN 0.260 nan 8.210 nan 0.000 0.506 264 Q N 1.006 120.803 119.800 -0.006 0.000 2.158 264 Q HA 0.432 4.773 4.340 0.000 0.000 0.306 264 Q C -0.459 175.550 176.000 0.014 0.000 0.878 264 Q CA -0.488 55.316 55.803 0.003 0.000 1.136 264 Q CB 0.087 28.828 28.738 0.006 0.000 1.253 264 Q HN 0.461 nan 8.270 nan 0.000 0.441 265 L N 1.899 123.129 121.223 0.011 0.000 2.416 265 L HA 0.133 4.473 4.340 0.000 0.000 0.272 265 L C 1.312 178.206 176.870 0.041 0.000 1.161 265 L CA 0.481 55.340 54.840 0.032 0.000 0.845 265 L CB 1.048 43.118 42.059 0.018 0.000 1.119 265 L HN 0.443 nan 8.230 nan 0.000 0.464 266 T N -0.460 114.146 114.554 0.086 0.000 3.018 266 T HA 0.129 4.480 4.350 0.000 0.000 0.246 266 T C 0.090 174.908 174.700 0.197 0.000 1.026 266 T CA 0.002 62.169 62.100 0.113 0.000 1.081 266 T CB 0.128 69.060 68.868 0.106 0.000 0.970 266 T HN 0.219 nan 8.240 nan 0.000 0.475 267 F N 1.728 121.701 119.950 0.040 0.000 2.477 267 F HA 0.696 5.223 4.527 0.000 0.000 0.335 267 F C -1.604 174.253 175.800 0.094 0.000 1.130 267 F CA -1.719 56.321 58.000 0.066 0.000 0.948 267 F CB 1.826 40.800 39.000 -0.042 0.000 1.154 267 F HN 0.051 nan 8.300 nan 0.000 0.439 268 L N 6.568 127.719 121.223 -0.120 0.000 2.406 268 L HA 0.520 4.861 4.340 0.000 0.000 0.272 268 L C -1.829 175.038 176.870 -0.006 0.000 0.980 268 L CA -0.231 54.624 54.840 0.024 0.000 0.831 268 L CB 1.560 43.662 42.059 0.070 0.000 1.253 268 L HN 0.594 nan 8.230 nan 0.000 0.406 269 D N 3.892 124.328 120.400 0.060 0.000 2.421 269 D HA 0.316 4.957 4.640 0.000 0.000 0.254 269 D C -0.167 176.181 176.300 0.081 0.000 1.238 269 D CA -0.302 53.749 54.000 0.084 0.000 0.919 269 D CB 1.062 41.947 40.800 0.142 0.000 1.152 269 D HN 0.687 nan 8.370 nan 0.000 0.552 270 C N 2.530 121.870 119.300 0.067 0.000 2.638 270 C HA 0.560 5.020 4.460 0.000 0.000 0.282 270 C C 0.854 175.836 174.990 -0.013 0.000 1.473 270 C CA -0.748 58.292 59.018 0.037 0.000 1.781 270 C CB -2.010 25.776 27.740 0.077 0.000 2.780 270 C HN 0.436 nan 8.230 nan 0.000 0.531 271 S N 0.285 115.963 115.700 -0.038 0.000 2.600 271 S HA 0.491 4.961 4.470 0.000 0.000 0.265 271 S C 0.516 175.063 174.600 -0.087 0.000 1.325 271 S CA 0.481 58.641 58.200 -0.067 0.000 1.002 271 S CB 0.460 63.623 63.200 -0.062 0.000 0.921 271 S HN 1.102 nan 8.310 nan 0.000 0.554 272 S N 1.673 117.322 115.700 -0.085 0.000 3.524 272 S HA -0.126 4.344 4.470 0.000 0.000 0.377 272 S C -0.045 174.506 174.600 -0.082 0.000 0.949 272 S CA 0.532 58.679 58.200 -0.089 0.000 1.264 272 S CB -1.951 61.176 63.200 -0.120 0.000 0.918 272 S HN 0.797 nan 8.310 nan 0.000 0.517 273 N N 0.407 119.073 118.700 -0.057 0.000 3.294 273 N HA 0.436 5.176 4.740 0.000 0.000 0.355 273 N C -0.039 175.454 175.510 -0.028 0.000 1.497 273 N CA -0.753 52.273 53.050 -0.040 0.000 0.707 273 N CB 0.798 39.266 38.487 -0.031 0.000 1.732 273 N HN 0.171 nan 8.380 nan 0.000 0.640 274 K N 0.870 121.260 120.400 -0.018 0.000 2.896 274 K HA 0.422 4.742 4.320 0.000 0.000 0.210 274 K C -0.593 176.004 176.600 -0.006 0.000 1.116 274 K CA -0.104 56.175 56.287 -0.012 0.000 1.050 274 K CB 0.250 32.744 32.500 -0.010 0.000 0.812 274 K HN 0.247 nan 8.250 nan 0.000 0.462 275 L N 2.180 123.400 121.223 -0.004 0.000 2.456 275 L HA 0.014 4.354 4.340 0.000 0.000 0.277 275 L C 1.703 178.576 176.870 0.005 0.000 1.124 275 L CA -0.005 54.838 54.840 0.005 0.000 0.880 275 L CB 0.388 42.456 42.059 0.015 0.000 1.192 275 L HN 0.403 nan 8.230 nan 0.000 0.463 276 T N -0.438 114.120 114.554 0.006 0.000 2.995 276 T HA -0.027 4.323 4.350 0.000 0.000 0.269 276 T C 0.476 175.183 174.700 0.012 0.000 1.091 276 T CA 0.532 62.636 62.100 0.006 0.000 1.128 276 T CB 0.013 68.884 68.868 0.004 0.000 0.891 276 T HN 0.751 nan 8.240 nan 0.000 0.492 277 E N -0.631 119.580 120.200 0.018 0.000 2.423 277 E HA 0.701 5.051 4.350 0.000 0.000 0.280 277 E C -1.707 174.914 176.600 0.034 0.000 1.030 277 E CA -1.272 55.143 56.400 0.025 0.000 0.812 277 E CB 1.605 31.316 29.700 0.019 0.000 1.313 277 E HN 0.276 nan 8.360 nan 0.000 0.456 278 I N 0.790 121.387 120.570 0.046 0.000 2.828 278 I HA 0.278 4.448 4.170 0.000 0.000 0.295 278 I C -2.266 173.877 176.117 0.044 0.000 1.459 278 I CA -0.550 60.782 61.300 0.054 0.000 1.015 278 I CB 2.360 40.420 38.000 0.099 0.000 1.345 278 I HN 0.699 nan 8.210 nan 0.000 0.449 279 D N 5.520 125.929 120.400 0.016 0.000 2.461 279 D HA 0.357 4.997 4.640 0.000 0.000 0.240 279 D C 0.325 176.595 176.300 -0.050 0.000 1.094 279 D CA -0.336 53.659 54.000 -0.008 0.000 0.868 279 D CB 1.645 42.439 40.800 -0.010 0.000 1.062 279 D HN 0.307 nan 8.370 nan 0.000 0.530 280 V N 1.578 121.439 119.914 -0.088 0.000 3.621 280 V HA 0.103 4.224 4.120 0.000 0.000 0.285 280 V C 1.919 177.926 176.094 -0.146 0.000 1.346 280 V CA 0.741 62.919 62.300 -0.202 0.000 1.104 280 V CB -0.665 30.869 31.823 -0.483 0.000 0.913 280 V HN 0.587 nan 8.190 nan 0.000 0.432 281 T N -0.707 113.799 114.554 -0.079 0.000 2.759 281 T HA -0.059 4.291 4.350 0.000 0.000 0.269 281 T C 0.023 174.687 174.700 -0.060 0.000 1.042 281 T CA 1.918 63.984 62.100 -0.058 0.000 1.140 281 T CB -1.709 67.139 68.868 -0.032 0.000 0.864 281 T HN 0.520 nan 8.240 nan 0.000 0.455 282 P HA 0.202 nan 4.420 nan 0.000 0.229 282 P C 0.391 177.655 177.300 -0.060 0.000 1.160 282 P CA 0.504 63.573 63.100 -0.051 0.000 0.777 282 P CB -0.283 31.390 31.700 -0.043 0.000 0.814 283 L N 0.501 121.672 121.223 -0.087 0.000 2.480 283 L HA 0.145 4.485 4.340 0.000 0.000 0.243 283 L C 1.597 178.419 176.870 -0.081 0.000 1.315 283 L CA -0.055 54.730 54.840 -0.092 0.000 1.231 283 L CB -0.899 41.073 42.059 -0.146 0.000 1.444 283 L HN 0.030 nan 8.230 nan 0.000 0.409 284 T N -3.416 111.106 114.554 -0.054 0.000 3.007 284 T HA -0.146 4.204 4.350 0.000 0.000 0.270 284 T C 1.482 176.167 174.700 -0.025 0.000 1.107 284 T CA 0.713 62.789 62.100 -0.040 0.000 1.118 284 T CB 0.022 68.871 68.868 -0.032 0.000 0.889 284 T HN 0.374 nan 8.240 nan 0.000 0.506 285 Q N 0.496 120.285 119.800 -0.018 0.000 2.403 285 Q HA 0.353 4.694 4.340 0.000 0.000 0.203 285 Q C 0.623 176.630 176.000 0.012 0.000 0.932 285 Q CA -0.042 55.762 55.803 0.001 0.000 0.945 285 Q CB -0.266 28.477 28.738 0.009 0.000 1.045 285 Q HN 0.577 nan 8.270 nan 0.000 0.511 286 L N 1.812 123.028 121.223 -0.012 0.000 2.499 286 L HA -0.026 4.314 4.340 0.000 0.000 0.273 286 L C 1.550 178.447 176.870 0.044 0.000 1.195 286 L CA 0.477 55.318 54.840 0.002 0.000 0.882 286 L CB 0.597 42.608 42.059 -0.080 0.000 1.133 286 L HN 0.169 nan 8.230 nan 0.000 0.483 287 T N -0.239 114.373 114.554 0.097 0.000 3.000 287 T HA 0.042 4.392 4.350 0.000 0.000 0.248 287 T C 0.014 174.817 174.700 0.172 0.000 1.034 287 T CA 0.027 62.203 62.100 0.128 0.000 1.060 287 T CB 0.074 69.029 68.868 0.145 0.000 0.983 287 T HN 0.389 nan 8.240 nan 0.000 0.482 288 Y N 1.067 121.359 120.300 -0.012 0.000 2.338 288 Y HA 0.592 5.142 4.550 0.000 0.000 0.333 288 Y C -1.949 173.847 175.900 -0.173 0.000 0.968 288 Y CA -2.077 55.942 58.100 -0.134 0.000 1.123 288 Y CB 1.510 39.851 38.460 -0.198 0.000 1.165 288 Y HN 0.141 nan 8.280 nan 0.000 0.452 289 F N 6.819 126.521 119.950 -0.412 0.000 2.536 289 F HA 0.443 4.970 4.527 0.000 0.000 0.322 289 F C -1.679 173.842 175.800 -0.465 0.000 1.144 289 F CA -1.280 56.529 58.000 -0.319 0.000 0.924 289 F CB 1.393 40.289 39.000 -0.175 0.000 1.181 289 F HN 0.547 nan 8.300 nan 0.000 0.438 290 D N 5.179 125.358 120.400 -0.368 0.000 2.473 290 D HA 0.273 4.913 4.640 0.000 0.000 0.253 290 D C -0.271 175.803 176.300 -0.377 0.000 1.233 290 D CA -0.187 53.553 54.000 -0.433 0.000 0.908 290 D CB 1.057 41.767 40.800 -0.149 0.000 1.170 290 D HN 0.652 nan 8.370 nan 0.000 0.558 291 C N 1.988 120.953 119.300 -0.557 0.000 2.638 291 C HA 0.557 5.017 4.460 0.000 0.000 0.282 291 C C 0.650 175.521 174.990 -0.198 0.000 1.473 291 C CA -0.746 58.077 59.018 -0.326 0.000 1.781 291 C CB -1.555 25.952 27.740 -0.388 0.000 2.780 291 C HN 0.328 nan 8.230 nan 0.000 0.531 292 S N 0.815 116.415 115.700 -0.166 0.000 2.589 292 S HA 0.368 4.838 4.470 0.000 0.000 0.265 292 S C 0.826 175.370 174.600 -0.093 0.000 1.342 292 S CA 0.279 58.405 58.200 -0.123 0.000 1.005 292 S CB 0.737 63.869 63.200 -0.113 0.000 0.909 292 S HN 1.228 nan 8.310 nan 0.000 0.555 293 V N 1.149 121.015 119.914 -0.080 0.000 5.616 293 V HA -0.208 3.912 4.120 0.000 0.000 0.301 293 V C -0.084 175.977 176.094 -0.054 0.000 0.564 293 V CA 0.708 62.970 62.300 -0.063 0.000 0.653 293 V CB -2.232 29.554 31.823 -0.062 0.000 0.372 293 V HN 0.835 nan 8.190 nan 0.000 1.029 294 N N 0.992 119.662 118.700 -0.051 0.000 2.265 294 N HA 0.484 5.225 4.740 0.000 0.000 0.300 294 N C -2.382 173.112 175.510 -0.028 0.000 1.148 294 N CA -1.444 51.584 53.050 -0.036 0.000 0.772 294 N CB 2.767 41.235 38.487 -0.032 0.000 1.434 294 N HN 0.128 nan 8.380 nan 0.000 0.481 295 P HA 0.214 nan 4.420 nan 0.000 0.220 295 P C -0.323 176.973 177.300 -0.006 0.000 1.793 295 P CA -0.055 63.037 63.100 -0.013 0.000 0.917 295 P CB -0.081 31.613 31.700 -0.010 0.000 1.755 296 L N 0.915 122.134 121.223 -0.006 0.000 2.397 296 L HA 0.197 4.537 4.340 0.000 0.000 0.271 296 L C 1.869 178.742 176.870 0.005 0.000 1.148 296 L CA 0.173 55.016 54.840 0.005 0.000 0.825 296 L CB 0.632 42.696 42.059 0.009 0.000 1.117 296 L HN 0.068 nan 8.230 nan 0.000 0.456 297 T N -2.190 112.370 114.554 0.011 0.000 3.010 297 T HA 0.187 4.537 4.350 0.000 0.000 0.257 297 T C 0.242 174.952 174.700 0.016 0.000 1.020 297 T CA -0.253 61.853 62.100 0.011 0.000 0.938 297 T CB 0.301 69.174 68.868 0.008 0.000 1.049 297 T HN 0.613 nan 8.240 nan 0.000 0.522 298 E N 0.129 120.342 120.200 0.022 0.000 2.347 298 E HA 0.519 4.869 4.350 0.000 0.000 0.285 298 E C -2.420 174.205 176.600 0.042 0.000 0.925 298 E CA -0.796 55.620 56.400 0.027 0.000 0.779 298 E CB 2.270 31.983 29.700 0.021 0.000 1.233 298 E HN 0.193 nan 8.360 nan 0.000 0.414 299 L N 3.896 125.150 121.223 0.051 0.000 2.438 299 L HA 0.468 4.808 4.340 0.000 0.000 0.270 299 L C -1.676 175.239 176.870 0.074 0.000 0.972 299 L CA -0.388 54.503 54.840 0.084 0.000 0.831 299 L CB 1.858 43.980 42.059 0.106 0.000 1.273 299 L HN 0.472 nan 8.230 nan 0.000 0.405 300 D N 3.297 123.742 120.400 0.076 0.000 2.461 300 D HA 0.289 4.929 4.640 0.000 0.000 0.240 300 D C 0.423 176.757 176.300 0.058 0.000 1.094 300 D CA -0.194 53.836 54.000 0.051 0.000 0.868 300 D CB 1.422 42.241 40.800 0.031 0.000 1.062 300 D HN 0.346 nan 8.370 nan 0.000 0.530 301 V N 1.758 121.712 119.914 0.067 0.000 3.444 301 V HA 0.109 4.229 4.120 0.000 0.000 0.308 301 V C 1.685 177.809 176.094 0.051 0.000 1.371 301 V CA 0.642 62.981 62.300 0.065 0.000 1.141 301 V CB -0.466 31.423 31.823 0.109 0.000 1.037 301 V HN 0.425 nan 8.190 nan 0.000 0.433 302 S N 1.860 117.602 115.700 0.069 0.000 2.400 302 S HA -0.259 4.211 4.470 0.000 0.000 0.232 302 S C 1.949 176.596 174.600 0.078 0.000 1.025 302 S CA 2.096 60.396 58.200 0.166 0.000 0.993 302 S CB -1.321 62.035 63.200 0.259 0.000 0.808 302 S HN 0.921 nan 8.310 nan 0.000 0.478 303 T N 0.121 114.681 114.554 0.011 0.000 3.085 303 T HA 0.234 4.584 4.350 0.000 0.000 0.263 303 T C 0.914 175.597 174.700 -0.029 0.000 1.127 303 T CA 0.094 62.174 62.100 -0.035 0.000 1.103 303 T CB -0.736 68.106 68.868 -0.043 0.000 0.921 303 T HN 0.435 nan 8.240 nan 0.000 0.510 304 L N 3.304 124.521 121.223 -0.009 0.000 2.533 304 L HA 0.263 4.603 4.340 0.000 0.000 0.239 304 L C 2.095 178.975 176.870 0.016 0.000 1.376 304 L CA -0.315 54.520 54.840 -0.008 0.000 1.240 304 L CB -0.553 41.501 42.059 -0.008 0.000 1.487 304 L HN 0.377 nan 8.230 nan 0.000 0.419 305 S N 0.062 115.766 115.700 0.006 0.000 2.400 305 S HA -0.205 4.266 4.470 0.000 0.000 0.232 305 S C 1.549 176.166 174.600 0.029 0.000 1.025 305 S CA 0.925 59.136 58.200 0.017 0.000 0.993 305 S CB -0.131 63.067 63.200 -0.003 0.000 0.808 305 S HN 0.571 nan 8.310 nan 0.000 0.478 306 K N 0.544 120.960 120.400 0.026 0.000 2.458 306 K HA 0.298 4.618 4.320 0.000 0.000 0.194 306 K C -0.230 176.404 176.600 0.056 0.000 1.024 306 K CA -0.338 55.972 56.287 0.039 0.000 1.108 306 K CB -0.160 32.360 32.500 0.034 0.000 0.846 306 K HN 0.289 nan 8.250 nan 0.000 0.518 307 L N 1.868 123.124 121.223 0.055 0.000 2.462 307 L HA -0.031 4.309 4.340 0.000 0.000 0.272 307 L C 1.294 178.216 176.870 0.086 0.000 1.166 307 L CA 0.832 55.714 54.840 0.069 0.000 0.880 307 L CB 0.931 43.029 42.059 0.066 0.000 1.142 307 L HN 0.170 nan 8.230 nan 0.000 0.473 308 T N -0.774 113.845 114.554 0.109 0.000 3.056 308 T HA 0.169 4.520 4.350 0.000 0.000 0.241 308 T C 0.636 175.441 174.700 0.175 0.000 1.006 308 T CA 0.405 62.593 62.100 0.147 0.000 1.115 308 T CB 0.005 68.974 68.868 0.168 0.000 0.939 308 T HN 0.527 nan 8.240 nan 0.000 0.462 309 T N 3.090 117.694 114.554 0.084 0.000 2.786 309 T HA 0.687 5.037 4.350 0.000 0.000 0.283 309 T C -1.546 172.994 174.700 -0.267 0.000 0.992 309 T CA -0.580 61.474 62.100 -0.075 0.000 0.954 309 T CB 1.746 70.430 68.868 -0.306 0.000 0.934 309 T HN 0.241 nan 8.240 nan 0.000 0.440 310 L N 4.459 125.603 121.223 -0.132 0.000 2.342 310 L HA 0.468 4.808 4.340 0.000 0.000 0.276 310 L C -1.095 175.696 176.870 -0.132 0.000 0.997 310 L CA -0.598 54.166 54.840 -0.126 0.000 0.838 310 L CB 0.486 42.634 42.059 0.148 0.000 1.224 310 L HN 0.734 nan 8.230 nan 0.000 0.416 311 H N 4.078 122.965 119.070 -0.306 0.000 2.504 311 H HA 0.501 5.057 4.556 0.000 0.000 0.322 311 H C -0.016 175.116 175.328 -0.327 0.000 1.055 311 H CA -0.806 55.060 56.048 -0.304 0.000 1.231 311 H CB 1.106 30.677 29.762 -0.318 0.000 1.417 311 H HN 0.771 nan 8.280 nan 0.000 0.472 312 C N 3.037 122.249 119.300 -0.147 0.000 3.074 312 C HA 0.459 4.920 4.460 0.000 0.000 0.224 312 C C 0.324 175.226 174.990 -0.147 0.000 1.988 312 C CA -0.949 57.972 59.018 -0.162 0.000 1.470 312 C CB -2.069 25.608 27.740 -0.107 0.000 2.762 312 C HN 0.708 nan 8.230 nan 0.000 0.502 313 I N 2.579 123.055 120.570 -0.157 0.000 2.815 313 I HA -0.001 4.169 4.170 0.000 0.000 0.291 313 I C 1.043 177.094 176.117 -0.110 0.000 1.209 313 I CA 1.229 62.440 61.300 -0.149 0.000 1.431 313 I CB 0.420 38.325 38.000 -0.159 0.000 1.351 313 I HN 0.594 nan 8.210 nan 0.000 0.585 314 Q N 2.470 122.215 119.800 -0.092 0.000 2.443 314 Q HA -0.211 4.129 4.340 0.000 0.000 0.337 314 Q C -0.327 175.638 176.000 -0.058 0.000 1.401 314 Q CA 0.740 56.503 55.803 -0.067 0.000 0.943 314 Q CB -1.488 27.212 28.738 -0.063 0.000 1.177 314 Q HN 0.870 nan 8.270 nan 0.000 0.394 315 T N -4.024 110.498 114.554 -0.053 0.000 2.942 315 T HA 0.422 4.772 4.350 0.000 0.000 0.289 315 T C 0.158 174.844 174.700 -0.023 0.000 1.044 315 T CA -1.054 61.022 62.100 -0.040 0.000 1.023 315 T CB 1.569 70.409 68.868 -0.046 0.000 1.123 315 T HN 0.006 nan 8.240 nan 0.000 0.512 316 D N 1.190 121.582 120.400 -0.014 0.000 2.434 316 D HA 0.224 4.864 4.640 0.000 0.000 0.232 316 D C 0.227 176.529 176.300 0.003 0.000 1.166 316 D CA -0.071 53.925 54.000 -0.005 0.000 0.830 316 D CB -0.193 40.604 40.800 -0.005 0.000 0.960 316 D HN 0.475 nan 8.370 nan 0.000 0.497 317 L N 0.821 122.049 121.223 0.008 0.000 2.455 317 L HA 0.107 4.447 4.340 0.000 0.000 0.272 317 L C 1.790 178.672 176.870 0.021 0.000 1.174 317 L CA -0.278 54.574 54.840 0.019 0.000 0.869 317 L CB 0.982 43.061 42.059 0.033 0.000 1.130 317 L HN -0.111 nan 8.230 nan 0.000 0.474 318 L N 2.192 123.426 121.223 0.018 0.000 2.209 318 L HA 0.044 4.384 4.340 0.000 0.000 0.207 318 L C 0.817 177.698 176.870 0.019 0.000 1.094 318 L CA 0.770 55.620 54.840 0.016 0.000 0.790 318 L CB -0.204 41.862 42.059 0.011 0.000 0.932 318 L HN 0.780 nan 8.230 nan 0.000 0.447 319 E N -0.306 119.906 120.200 0.020 0.000 2.454 319 E HA 0.651 5.002 4.350 0.000 0.000 0.279 319 E C -1.226 175.387 176.600 0.021 0.000 1.029 319 E CA -0.934 55.477 56.400 0.017 0.000 0.831 319 E CB 2.583 32.285 29.700 0.004 0.000 1.405 319 E HN -0.099 nan 8.360 nan 0.000 0.463 320 I N 1.020 121.594 120.570 0.006 0.000 2.715 320 I HA 0.270 4.440 4.170 0.000 0.000 0.288 320 I C -2.287 173.790 176.117 -0.068 0.000 1.371 320 I CA -0.194 61.101 61.300 -0.008 0.000 1.056 320 I CB 2.218 40.240 38.000 0.037 0.000 1.339 320 I HN 0.646 nan 8.210 nan 0.000 0.425 321 D N 7.205 127.557 120.400 -0.081 0.000 2.454 321 D HA 0.379 5.019 4.640 0.000 0.000 0.225 321 D C 0.337 176.541 176.300 -0.161 0.000 1.081 321 D CA -0.129 53.792 54.000 -0.131 0.000 0.864 321 D CB 0.886 41.612 40.800 -0.123 0.000 1.040 321 D HN 0.592 nan 8.370 nan 0.000 0.517 322 L N 2.590 123.686 121.223 -0.212 0.000 2.592 322 L HA 0.044 4.384 4.340 0.000 0.000 0.227 322 L C 2.193 178.944 176.870 -0.199 0.000 1.127 322 L CA 0.354 55.061 54.840 -0.222 0.000 0.884 322 L CB -0.264 41.593 42.059 -0.338 0.000 1.065 322 L HN 0.422 nan 8.230 nan 0.000 0.457 323 T N -4.296 110.074 114.554 -0.306 0.000 2.929 323 T HA -0.211 4.139 4.350 0.000 0.000 0.271 323 T C 1.424 175.888 174.700 -0.393 0.000 1.085 323 T CA 1.250 63.053 62.100 -0.496 0.000 1.125 323 T CB -0.421 67.956 68.868 -0.818 0.000 0.874 323 T HN 0.463 nan 8.240 nan 0.000 0.494 324 H N 0.737 119.717 119.070 -0.150 0.000 2.553 324 H HA 0.287 4.843 4.556 0.000 0.000 0.265 324 H C 0.234 175.544 175.328 -0.031 0.000 0.964 324 H CA -0.213 55.790 56.048 -0.076 0.000 1.156 324 H CB 0.031 29.755 29.762 -0.064 0.000 1.411 324 H HN 0.428 nan 8.280 nan 0.000 0.558 325 N N 0.878 119.614 118.700 0.061 0.000 3.298 325 N HA -0.031 4.710 4.740 0.000 0.000 0.292 325 N C 1.028 176.569 175.510 0.051 0.000 1.271 325 N CA 0.020 53.099 53.050 0.048 0.000 1.184 325 N CB 0.730 39.230 38.487 0.021 0.000 1.452 325 N HN 0.287 nan 8.380 nan 0.000 0.534 326 T N -1.998 112.599 114.554 0.071 0.000 2.929 326 T HA -0.217 4.133 4.350 0.000 0.000 0.271 326 T C 1.297 176.032 174.700 0.058 0.000 1.085 326 T CA 1.134 63.278 62.100 0.073 0.000 1.125 326 T CB -0.062 68.852 68.868 0.077 0.000 0.874 326 T HN 0.357 nan 8.240 nan 0.000 0.494 327 Q N 0.163 119.998 119.800 0.058 0.000 2.360 327 Q HA 0.344 4.684 4.340 0.000 0.000 0.202 327 Q C -0.063 175.980 176.000 0.072 0.000 0.915 327 Q CA -0.486 55.353 55.803 0.061 0.000 0.943 327 Q CB 0.025 28.799 28.738 0.060 0.000 1.064 327 Q HN 0.401 nan 8.270 nan 0.000 0.511 328 L N 1.040 122.303 121.223 0.068 0.000 2.534 328 L HA -0.014 4.327 4.340 0.000 0.000 0.271 328 L C 0.515 177.440 176.870 0.092 0.000 1.178 328 L CA 0.882 55.773 54.840 0.084 0.000 0.907 328 L CB 0.386 42.480 42.059 0.058 0.000 1.164 328 L HN 0.108 nan 8.230 nan 0.000 0.482 329 I N 4.297 124.941 120.570 0.124 0.000 3.300 329 I HA 0.060 4.230 4.170 0.000 0.000 0.279 329 I C -0.418 175.642 176.117 -0.094 0.000 1.172 329 I CA -0.026 61.299 61.300 0.042 0.000 1.431 329 I CB 0.116 38.163 38.000 0.078 0.000 1.240 329 I HN 0.423 nan 8.210 nan 0.000 0.453 330 Y N 0.572 120.990 120.300 0.197 0.000 2.326 330 Y HA 0.410 4.960 4.550 0.001 0.000 0.331 330 Y C -0.876 175.176 175.900 0.255 0.000 0.962 330 Y CA -0.940 57.297 58.100 0.229 0.000 1.167 330 Y CB 1.623 40.204 38.460 0.201 0.000 1.148 330 Y HN -0.092 nan 8.280 nan 0.000 0.463 331 F N 4.143 124.223 119.950 0.216 0.000 2.434 331 F HA 0.523 5.050 4.527 0.000 0.000 0.355 331 F C -0.997 174.897 175.800 0.155 0.000 1.115 331 F CA -0.922 57.163 58.000 0.142 0.000 1.010 331 F CB 1.034 40.086 39.000 0.086 0.000 1.234 331 F HN 0.458 nan 8.300 nan 0.000 0.439 332 Q N 4.957 124.640 119.800 -0.195 0.000 2.394 332 Q HA 0.694 5.034 4.340 0.000 0.000 0.259 332 Q C -0.344 175.347 176.000 -0.515 0.000 1.021 332 Q CA -0.451 55.175 55.803 -0.294 0.000 0.805 332 Q CB 1.787 30.435 28.738 -0.151 0.000 1.226 332 Q HN 0.758 nan 8.270 nan 0.000 0.476 333 A N 3.363 125.794 122.820 -0.648 0.000 2.674 333 A HA 0.113 4.434 4.320 0.000 0.000 0.286 333 A C -0.095 177.331 177.584 -0.263 0.000 0.980 333 A CA -0.436 51.292 52.037 -0.514 0.000 1.028 333 A CB 0.239 18.781 19.000 -0.763 0.000 1.199 333 A HN 0.709 nan 8.150 nan 0.000 0.499 334 E N 0.441 120.513 120.200 -0.215 0.000 2.465 334 E HA 0.294 4.644 4.350 0.000 0.000 0.260 334 E C 1.129 177.665 176.600 -0.108 0.000 0.980 334 E CA 1.024 57.341 56.400 -0.139 0.000 0.927 334 E CB 0.114 29.725 29.700 -0.147 0.000 0.934 334 E HN 1.170 nan 8.360 nan 0.000 0.459 335 G N 3.436 112.192 108.800 -0.073 0.000 2.136 335 G HA2 -0.268 3.692 3.960 0.000 0.000 0.242 335 G HA3 -0.268 3.692 3.960 0.000 0.000 0.242 335 G C 0.121 174.994 174.900 -0.045 0.000 0.989 335 G CA 0.045 45.112 45.100 -0.055 0.000 0.682 335 G HN 0.608 nan 8.290 nan 0.000 0.522 336 C N 0.973 120.248 119.300 -0.042 0.000 2.484 336 C HA 0.423 4.884 4.460 0.000 0.000 0.494 336 C C 2.026 177.015 174.990 -0.001 0.000 1.052 336 C CA -0.264 58.742 59.018 -0.019 0.000 1.307 336 C CB -0.964 26.770 27.740 -0.011 0.000 1.464 336 C HN 0.614 nan 8.230 nan 0.000 0.564 337 R N 0.993 121.490 120.500 -0.006 0.000 2.092 337 R HA -0.105 4.236 4.340 0.000 0.000 0.231 337 R C 1.662 177.968 176.300 0.010 0.000 1.119 337 R CA 1.307 57.408 56.100 0.001 0.000 0.970 337 R CB 0.144 30.442 30.300 -0.004 0.000 0.864 337 R HN 0.383 nan 8.270 nan 0.000 0.440 338 K N -0.021 120.385 120.400 0.010 0.000 2.365 338 K HA 0.066 4.386 4.320 0.000 0.000 0.199 338 K C 0.298 176.910 176.600 0.020 0.000 1.045 338 K CA 0.417 56.712 56.287 0.013 0.000 0.962 338 K CB 0.113 32.619 32.500 0.010 0.000 0.759 338 K HN 0.148 nan 8.250 nan 0.000 0.469 339 I N 2.350 122.936 120.570 0.027 0.000 2.618 339 I HA -0.079 4.091 4.170 0.000 0.000 0.284 339 I C 0.978 177.116 176.117 0.035 0.000 1.146 339 I CA 0.440 61.763 61.300 0.038 0.000 1.425 339 I CB 0.599 38.636 38.000 0.061 0.000 1.383 339 I HN 0.186 nan 8.210 nan 0.000 0.562 340 K N 4.649 125.068 120.400 0.031 0.000 2.536 340 K HA 0.471 4.791 4.320 0.000 0.000 0.203 340 K C -0.227 176.389 176.600 0.027 0.000 1.063 340 K CA -0.425 55.879 56.287 0.028 0.000 1.063 340 K CB 0.905 33.419 32.500 0.022 0.000 0.843 340 K HN 0.586 nan 8.250 nan 0.000 0.521 341 E N 0.946 121.164 120.200 0.030 0.000 2.537 341 E HA 0.294 4.644 4.350 0.000 0.000 0.301 341 E C -2.375 174.242 176.600 0.028 0.000 0.990 341 E CA -0.735 55.678 56.400 0.023 0.000 0.828 341 E CB 1.744 31.450 29.700 0.011 0.000 1.243 341 E HN 0.137 nan 8.360 nan 0.000 0.414 342 L N 3.890 125.130 121.223 0.027 0.000 2.482 342 L HA 0.459 4.799 4.340 0.000 0.000 0.269 342 L C -1.775 175.096 176.870 0.002 0.000 0.967 342 L CA -0.373 54.481 54.840 0.024 0.000 0.851 342 L CB 1.740 43.847 42.059 0.080 0.000 1.242 342 L HN 0.465 nan 8.230 nan 0.000 0.404 343 D N 3.676 124.058 120.400 -0.031 0.000 2.477 343 D HA 0.235 4.875 4.640 0.000 0.000 0.239 343 D C 0.561 176.835 176.300 -0.044 0.000 1.102 343 D CA -0.230 53.755 54.000 -0.025 0.000 0.901 343 D CB 1.130 41.914 40.800 -0.027 0.000 1.026 343 D HN 0.337 nan 8.370 nan 0.000 0.515 344 V N 1.945 121.844 119.914 -0.025 0.000 3.415 344 V HA 0.119 4.240 4.120 0.000 0.000 0.325 344 V C 1.675 177.775 176.094 0.009 0.000 1.313 344 V CA 0.650 62.934 62.300 -0.027 0.000 1.228 344 V CB -0.882 30.937 31.823 -0.006 0.000 1.131 344 V HN 0.531 nan 8.190 nan 0.000 0.433 345 T N -2.224 112.353 114.554 0.037 0.000 2.951 345 T HA -0.161 4.190 4.350 0.000 0.000 0.268 345 T C 1.552 176.234 174.700 -0.029 0.000 1.073 345 T CA 1.821 63.923 62.100 0.005 0.000 1.134 345 T CB -0.624 68.236 68.868 -0.012 0.000 0.884 345 T HN 0.597 nan 8.240 nan 0.000 0.479 346 H N 1.278 120.315 119.070 -0.055 0.000 2.551 346 H HA 0.327 4.883 4.556 0.000 0.000 0.266 346 H C 0.411 175.721 175.328 -0.031 0.000 0.964 346 H CA 0.155 56.178 56.048 -0.042 0.000 1.180 346 H CB -0.289 29.443 29.762 -0.050 0.000 1.408 346 H HN 0.483 nan 8.280 nan 0.000 0.563 347 N N 0.608 119.349 118.700 0.069 0.000 3.245 347 N HA -0.007 4.733 4.740 0.000 0.000 0.296 347 N C 0.768 176.292 175.510 0.023 0.000 1.254 347 N CA 0.122 53.192 53.050 0.034 0.000 1.190 347 N CB 0.607 39.095 38.487 0.002 0.000 1.460 347 N HN 0.320 nan 8.380 nan 0.000 0.538 348 T N -2.332 112.234 114.554 0.019 0.000 3.072 348 T HA -0.123 4.228 4.350 0.000 0.000 0.266 348 T C 1.150 175.862 174.700 0.020 0.000 1.127 348 T CA 0.902 63.005 62.100 0.005 0.000 1.107 348 T CB 0.057 68.919 68.868 -0.010 0.000 0.910 348 T HN 0.326 nan 8.240 nan 0.000 0.513 349 Q N 0.206 120.027 119.800 0.035 0.000 2.220 349 Q HA 0.387 4.728 4.340 0.000 0.000 0.205 349 Q C -0.037 176.000 176.000 0.061 0.000 0.865 349 Q CA -0.340 55.493 55.803 0.049 0.000 0.960 349 Q CB 0.260 29.029 28.738 0.051 0.000 1.097 349 Q HN 0.512 nan 8.270 nan 0.000 0.493 350 L N 1.503 122.756 121.223 0.050 0.000 2.628 350 L HA -0.153 4.187 4.340 0.000 0.000 0.274 350 L C 0.734 177.638 176.870 0.056 0.000 1.209 350 L CA 0.490 55.361 54.840 0.052 0.000 0.930 350 L CB 0.120 42.212 42.059 0.055 0.000 1.183 350 L HN 0.305 nan 8.230 nan 0.000 0.492 351 Y N 5.156 125.374 120.300 -0.137 0.000 2.522 351 Y HA 0.310 4.861 4.550 0.000 0.000 0.277 351 Y C 0.157 176.022 175.900 -0.058 0.000 1.104 351 Y CA 0.055 58.073 58.100 -0.137 0.000 1.260 351 Y CB 0.714 39.019 38.460 -0.258 0.000 1.151 351 Y HN 0.438 nan 8.280 nan 0.000 0.539 352 L N 1.599 122.825 121.223 0.006 0.000 2.470 352 L HA 0.475 4.815 4.340 0.000 0.000 0.268 352 L C -2.180 174.817 176.870 0.211 0.000 0.964 352 L CA -0.858 54.077 54.840 0.159 0.000 0.839 352 L CB 2.045 44.309 42.059 0.342 0.000 1.276 352 L HN 0.010 nan 8.230 nan 0.000 0.403 353 L N 4.719 126.079 121.223 0.228 0.000 2.381 353 L HA 0.605 4.945 4.340 0.000 0.000 0.274 353 L C -1.789 175.239 176.870 0.264 0.000 0.988 353 L CA -0.289 54.698 54.840 0.245 0.000 0.824 353 L CB 1.628 43.807 42.059 0.199 0.000 1.263 353 L HN 0.638 nan 8.230 nan 0.000 0.410 354 D N 4.534 125.026 120.400 0.154 0.000 2.476 354 D HA 0.286 4.927 4.640 0.000 0.000 0.251 354 D C -0.624 175.633 176.300 -0.072 0.000 1.291 354 D CA -0.351 53.712 54.000 0.104 0.000 0.939 354 D CB 1.448 42.252 40.800 0.007 0.000 1.221 354 D HN 0.627 nan 8.370 nan 0.000 0.567 355 C N 3.223 122.532 119.300 0.016 0.000 2.955 355 C HA 0.498 4.959 4.460 0.000 0.000 0.229 355 C C 0.376 175.372 174.990 0.011 0.000 1.842 355 C CA -0.863 58.147 59.018 -0.013 0.000 1.539 355 C CB -1.258 26.537 27.740 0.092 0.000 2.869 355 C HN 0.457 nan 8.230 nan 0.000 0.503 356 Q N 0.994 120.793 119.800 -0.002 0.000 2.395 356 Q HA 0.414 4.755 4.340 0.000 0.000 0.271 356 Q C 1.282 177.273 176.000 -0.014 0.000 1.026 356 Q CA 0.989 56.794 55.803 0.004 0.000 0.900 356 Q CB 0.767 29.501 28.738 -0.007 0.000 1.266 356 Q HN 1.141 nan 8.270 nan 0.000 0.430 357 A N 0.314 123.128 122.820 -0.009 0.000 3.930 357 A HA -0.259 4.061 4.320 0.000 0.000 0.267 357 A C 0.643 178.227 177.584 -0.001 0.000 0.971 357 A CA 0.833 52.864 52.037 -0.011 0.000 1.197 357 A CB -2.093 16.895 19.000 -0.020 0.000 1.073 357 A HN 0.986 nan 8.150 nan 0.000 0.871 358 A N 0.095 122.919 122.820 0.007 0.000 2.445 358 A HA 0.502 4.822 4.320 0.000 0.000 0.242 358 A C 1.359 178.958 177.584 0.025 0.000 1.075 358 A CA 0.849 52.900 52.037 0.023 0.000 0.777 358 A CB 0.085 19.111 19.000 0.042 0.000 1.013 358 A HN 1.930 nan 8.150 nan 0.000 0.493 359 G N 1.497 110.315 108.800 0.030 0.000 3.374 359 G HA2 0.385 4.345 3.960 0.000 0.000 0.252 359 G HA3 0.385 4.345 3.960 0.000 0.000 0.252 359 G C 0.408 175.330 174.900 0.038 0.000 1.326 359 G CA -0.021 45.100 45.100 0.034 0.000 1.133 359 G HN 0.892 nan 8.290 nan 0.000 0.528 360 I N -1.040 119.552 120.570 0.037 0.000 2.452 360 I HA 0.320 4.490 4.170 0.000 0.000 0.287 360 I C 1.389 177.527 176.117 0.035 0.000 1.079 360 I CA -0.419 60.903 61.300 0.036 0.000 1.387 360 I CB 1.129 39.154 38.000 0.042 0.000 1.404 360 I HN 0.010 nan 8.210 nan 0.000 0.522 361 T N 1.583 116.158 114.554 0.036 0.000 3.067 361 T HA 0.119 4.469 4.350 0.000 0.000 0.261 361 T C 0.423 175.137 174.700 0.024 0.000 1.110 361 T CA 0.585 62.709 62.100 0.039 0.000 1.113 361 T CB -0.315 68.576 68.868 0.039 0.000 0.917 361 T HN 0.899 nan 8.240 nan 0.000 0.499 362 E N -0.306 119.905 120.200 0.018 0.000 2.454 362 E HA 0.643 4.994 4.350 0.000 0.000 0.279 362 E C -2.061 174.548 176.600 0.015 0.000 1.029 362 E CA -1.397 55.009 56.400 0.009 0.000 0.831 362 E CB 1.278 30.981 29.700 0.005 0.000 1.405 362 E HN 0.085 nan 8.360 nan 0.000 0.463 363 L N 1.730 122.960 121.223 0.012 0.000 2.661 363 L HA 0.324 4.665 4.340 0.000 0.000 0.263 363 L C -1.911 174.967 176.870 0.013 0.000 0.956 363 L CA -0.350 54.501 54.840 0.019 0.000 0.918 363 L CB 1.854 43.931 42.059 0.031 0.000 1.280 363 L HN 0.699 nan 8.230 nan 0.000 0.416 364 D N 4.828 125.234 120.400 0.010 0.000 2.359 364 D HA 0.215 4.856 4.640 0.000 0.000 0.250 364 D C 0.478 176.780 176.300 0.004 0.000 1.264 364 D CA 0.228 54.230 54.000 0.003 0.000 0.911 364 D CB 0.584 41.380 40.800 -0.007 0.000 1.056 364 D HN 0.651 nan 8.370 nan 0.000 0.499 365 L N 2.783 124.015 121.223 0.015 0.000 2.653 365 L HA 0.039 4.379 4.340 0.000 0.000 0.231 365 L C 2.211 179.089 176.870 0.013 0.000 1.153 365 L CA -0.095 54.754 54.840 0.016 0.000 0.933 365 L CB -0.175 41.896 42.059 0.020 0.000 1.175 365 L HN 0.328 nan 8.230 nan 0.000 0.473 366 S N -0.257 115.426 115.700 -0.028 0.000 2.370 366 S HA -0.222 4.249 4.470 0.000 0.000 0.226 366 S C 1.697 176.198 174.600 -0.165 0.000 1.033 366 S CA 0.921 59.009 58.200 -0.187 0.000 1.011 366 S CB -0.197 62.793 63.200 -0.349 0.000 0.852 366 S HN 0.438 nan 8.310 nan 0.000 0.457 367 Q N 1.655 121.391 119.800 -0.107 0.000 2.444 367 Q HA 0.222 4.562 4.340 0.000 0.000 0.206 367 Q C -0.371 175.601 176.000 -0.047 0.000 0.948 367 Q CA 0.289 56.039 55.803 -0.088 0.000 0.946 367 Q CB -0.759 27.922 28.738 -0.094 0.000 1.027 367 Q HN 0.772 nan 8.270 nan 0.000 0.513 368 N N 2.037 120.722 118.700 -0.026 0.000 3.114 368 N HA 0.101 4.841 4.740 0.000 0.000 0.289 368 N C -1.922 173.582 175.510 -0.010 0.000 1.519 368 N CA -1.048 51.996 53.050 -0.011 0.000 1.026 368 N CB 0.854 39.339 38.487 -0.004 0.000 1.306 368 N HN 0.010 nan 8.380 nan 0.000 0.495 369 P HA -0.181 nan 4.420 nan 0.000 0.222 369 P C 0.901 178.193 177.300 -0.012 0.000 1.147 369 P CA 1.126 64.225 63.100 -0.002 0.000 0.790 369 P CB 0.478 32.180 31.700 0.003 0.000 0.780 370 K N -0.700 119.698 120.400 -0.004 0.000 2.356 370 K HA 0.138 4.458 4.320 0.000 0.000 0.195 370 K C 0.942 177.498 176.600 -0.073 0.000 1.037 370 K CA -0.203 56.091 56.287 0.012 0.000 1.014 370 K CB -0.267 32.279 32.500 0.077 0.000 0.815 370 K HN 0.060 nan 8.250 nan 0.000 0.507 371 L N 1.923 123.082 121.223 -0.106 0.000 2.771 371 L HA -0.146 4.195 4.340 0.000 0.000 0.278 371 L C 0.700 177.363 176.870 -0.344 0.000 1.175 371 L CA -0.184 54.533 54.840 -0.204 0.000 0.973 371 L CB 0.570 42.555 42.059 -0.123 0.000 1.286 371 L HN 0.060 nan 8.230 nan 0.000 0.481 372 V N 3.770 123.314 119.914 -0.618 0.000 3.523 372 V HA 0.027 4.148 4.120 0.000 0.000 0.255 372 V C -0.372 175.141 176.094 -0.968 0.000 1.226 372 V CA 0.316 62.132 62.300 -0.807 0.000 1.092 372 V CB -0.112 31.078 31.823 -1.056 0.000 0.817 372 V HN 0.528 nan 8.190 nan 0.000 0.458 373 Y N 0.485 120.589 120.300 -0.327 0.000 2.322 373 Y HA 0.714 5.265 4.550 0.001 0.000 0.324 373 Y C -0.801 174.932 175.900 -0.279 0.000 1.027 373 Y CA -0.982 56.967 58.100 -0.252 0.000 1.179 373 Y CB 1.952 40.420 38.460 0.013 0.000 1.136 373 Y HN -0.003 nan 8.280 nan 0.000 0.449 374 L N 4.840 125.836 121.223 -0.378 0.000 2.381 374 L HA 0.616 4.956 4.340 0.000 0.000 0.274 374 L C -2.106 174.487 176.870 -0.461 0.000 0.988 374 L CA -1.319 53.369 54.840 -0.255 0.000 0.824 374 L CB 0.899 42.878 42.059 -0.133 0.000 1.263 374 L HN 0.465 nan 8.230 nan 0.000 0.410 375 Y N 6.094 126.437 120.300 0.072 0.000 2.426 375 Y HA 0.462 5.012 4.550 0.001 0.000 0.325 375 Y C 0.347 176.269 175.900 0.036 0.000 0.989 375 Y CA -0.570 57.563 58.100 0.054 0.000 1.284 375 Y CB 1.319 39.800 38.460 0.036 0.000 1.104 375 Y HN 0.480 nan 8.280 nan 0.000 0.481 376 L N 1.505 122.812 121.223 0.140 0.000 2.857 376 L HA 0.258 4.598 4.340 0.000 0.000 0.249 376 L C 0.008 176.919 176.870 0.067 0.000 1.172 376 L CA -0.358 54.538 54.840 0.092 0.000 0.980 376 L CB -0.096 42.007 42.059 0.073 0.000 1.299 376 L HN 0.517 nan 8.230 nan 0.000 0.535 377 N N 1.479 120.227 118.700 0.080 0.000 2.345 377 N HA -0.062 4.678 4.740 0.000 0.000 0.243 377 N C 0.673 176.188 175.510 0.009 0.000 1.246 377 N CA 0.530 53.604 53.050 0.039 0.000 0.863 377 N CB 0.022 38.537 38.487 0.046 0.000 1.096 377 N HN 0.100 nan 8.380 nan 0.000 0.446 378 N N -2.311 116.376 118.700 -0.020 0.000 2.753 378 N HA -0.185 4.556 4.740 0.000 0.000 0.251 378 N C -0.293 175.190 175.510 -0.044 0.000 1.097 378 N CA 1.375 54.403 53.050 -0.036 0.000 0.786 378 N CB -1.969 36.505 38.487 -0.022 0.000 1.137 378 N HN 0.791 nan 8.380 nan 0.000 0.566 379 T N -2.952 111.572 114.554 -0.050 0.000 2.810 379 T HA 0.344 4.694 4.350 0.000 0.000 0.277 379 T C 0.919 175.552 174.700 -0.112 0.000 0.973 379 T CA -0.480 61.593 62.100 -0.044 0.000 0.949 379 T CB 1.590 70.451 68.868 -0.012 0.000 1.075 379 T HN -0.040 nan 8.240 nan 0.000 0.537 380 E N 0.053 120.224 120.200 -0.049 0.000 2.444 380 E HA 0.214 4.565 4.350 0.000 0.000 0.191 380 E C 0.107 176.734 176.600 0.044 0.000 1.041 380 E CA -0.204 56.196 56.400 0.001 0.000 0.883 380 E CB -0.043 29.716 29.700 0.098 0.000 1.024 380 E HN 0.555 nan 8.360 nan 0.000 0.470 381 L N 1.579 122.790 121.223 -0.020 0.000 2.540 381 L HA -0.027 4.313 4.340 0.000 0.000 0.276 381 L C 1.519 178.407 176.870 0.031 0.000 1.212 381 L CA 0.653 55.497 54.840 0.005 0.000 0.893 381 L CB 0.212 42.263 42.059 -0.014 0.000 1.138 381 L HN 0.042 nan 8.230 nan 0.000 0.491 382 T N -1.514 113.068 114.554 0.046 0.000 3.129 382 T HA 0.220 4.570 4.350 0.000 0.000 0.267 382 T C 0.088 174.773 174.700 -0.026 0.000 1.018 382 T CA -0.379 61.750 62.100 0.049 0.000 0.903 382 T CB 0.181 69.089 68.868 0.067 0.000 1.067 382 T HN 0.651 nan 8.240 nan 0.000 0.549 383 E N 0.347 120.512 120.200 -0.059 0.000 2.422 383 E HA 0.451 4.802 4.350 0.000 0.000 0.289 383 E C -2.446 174.093 176.600 -0.102 0.000 0.985 383 E CA -0.696 55.646 56.400 -0.097 0.000 0.812 383 E CB 2.237 31.903 29.700 -0.058 0.000 1.226 383 E HN 0.236 nan 8.360 nan 0.000 0.419 384 L N 3.394 124.529 121.223 -0.147 0.000 2.431 384 L HA 0.654 4.995 4.340 0.000 0.000 0.266 384 L C -1.841 174.965 176.870 -0.106 0.000 0.978 384 L CA -0.214 54.556 54.840 -0.116 0.000 0.822 384 L CB 1.947 43.918 42.059 -0.147 0.000 1.310 384 L HN 0.511 nan 8.230 nan 0.000 0.409 385 D N 2.969 123.328 120.400 -0.068 0.000 2.319 385 D HA 0.262 4.903 4.640 0.000 0.000 0.237 385 D C -0.366 175.904 176.300 -0.049 0.000 1.353 385 D CA -0.115 53.846 54.000 -0.064 0.000 0.992 385 D CB 1.431 42.210 40.800 -0.035 0.000 1.368 385 D HN 0.339 nan 8.370 nan 0.000 0.564 386 V N 1.723 121.584 119.914 -0.088 0.000 3.099 386 V HA 0.245 4.365 4.120 0.000 0.000 0.356 386 V C 1.416 177.434 176.094 -0.126 0.000 1.364 386 V CA 0.556 62.803 62.300 -0.089 0.000 1.229 386 V CB -0.236 31.518 31.823 -0.115 0.000 1.227 386 V HN 0.380 nan 8.190 nan 0.000 0.493 387 S N 0.421 116.012 115.700 -0.181 0.000 2.402 387 S HA -0.193 4.277 4.470 0.000 0.000 0.229 387 S C 1.535 175.935 174.600 -0.332 0.000 1.021 387 S CA 1.741 59.769 58.200 -0.288 0.000 0.974 387 S CB -0.809 62.177 63.200 -0.357 0.000 0.800 387 S HN 0.791 nan 8.310 nan 0.000 0.484 388 H N 1.445 120.481 119.070 -0.058 0.000 2.539 388 H HA 0.298 4.855 4.556 0.000 0.000 0.267 388 H C -0.033 175.261 175.328 -0.058 0.000 0.982 388 H CA 0.278 56.295 56.048 -0.051 0.000 1.146 388 H CB -0.323 29.413 29.762 -0.044 0.000 1.382 388 H HN 0.489 nan 8.280 nan 0.000 0.577 389 N N 0.515 119.217 118.700 0.003 0.000 3.301 389 N HA -0.005 4.735 4.740 0.000 0.000 0.289 389 N C 0.799 176.263 175.510 -0.078 0.000 1.343 389 N CA -0.025 53.002 53.050 -0.039 0.000 1.136 389 N CB 0.768 39.220 38.487 -0.058 0.000 1.402 389 N HN 0.289 nan 8.380 nan 0.000 0.516 390 T N -2.152 112.366 114.554 -0.060 0.000 3.072 390 T HA -0.011 4.339 4.350 0.000 0.000 0.266 390 T C 1.453 176.102 174.700 -0.084 0.000 1.127 390 T CA 0.701 62.758 62.100 -0.071 0.000 1.107 390 T CB 0.058 68.897 68.868 -0.048 0.000 0.910 390 T HN 0.011 nan 8.240 nan 0.000 0.513 391 K N 0.832 121.173 120.400 -0.098 0.000 2.444 391 K HA 0.307 4.627 4.320 0.000 0.000 0.193 391 K C 0.546 177.021 176.600 -0.208 0.000 1.024 391 K CA -0.126 56.085 56.287 -0.126 0.000 1.077 391 K CB -0.270 32.165 32.500 -0.107 0.000 0.833 391 K HN 0.478 nan 8.250 nan 0.000 0.517 392 L N 2.370 123.464 121.223 -0.215 0.000 2.597 392 L HA -0.050 4.290 4.340 0.000 0.000 0.271 392 L C 1.430 178.135 176.870 -0.275 0.000 1.157 392 L CA 0.118 54.791 54.840 -0.280 0.000 0.928 392 L CB 0.338 42.264 42.059 -0.222 0.000 1.216 392 L HN -0.138 nan 8.230 nan 0.000 0.481 393 K N 1.120 121.281 120.400 -0.399 0.000 2.284 393 K HA 0.110 4.430 4.320 0.000 0.000 0.198 393 K C 0.567 177.041 176.600 -0.210 0.000 1.048 393 K CA 0.363 56.472 56.287 -0.296 0.000 0.987 393 K CB 0.513 32.806 32.500 -0.345 0.000 0.800 393 K HN 0.469 nan 8.250 nan 0.000 0.486 394 S N 0.681 116.210 115.700 -0.284 0.000 2.614 394 S HA 0.525 4.995 4.470 0.000 0.000 0.288 394 S C -1.753 172.732 174.600 -0.191 0.000 1.137 394 S CA -0.798 57.329 58.200 -0.122 0.000 0.992 394 S CB 0.630 63.863 63.200 0.055 0.000 1.026 394 S HN 0.076 nan 8.310 nan 0.000 0.486 395 L N 3.971 125.158 121.223 -0.061 0.000 2.381 395 L HA 0.887 5.228 4.340 0.000 0.000 0.268 395 L C -0.832 176.110 176.870 0.121 0.000 0.997 395 L CA 0.103 54.939 54.840 -0.008 0.000 0.818 395 L CB 2.134 44.229 42.059 0.061 0.000 1.310 395 L HN 0.619 nan 8.230 nan 0.000 0.416 396 S N 2.870 118.605 115.700 0.058 0.000 2.614 396 S HA 0.612 5.082 4.470 0.000 0.000 0.275 396 S C -0.635 174.014 174.600 0.082 0.000 1.161 396 S CA -0.333 57.902 58.200 0.059 0.000 0.969 396 S CB 0.701 63.953 63.200 0.086 0.000 1.059 396 S HN 1.005 nan 8.310 nan 0.000 0.482 397 C N 2.951 122.281 119.300 0.050 0.000 3.236 397 C HA 0.588 5.048 4.460 0.000 0.000 0.208 397 C C 0.064 175.071 174.990 0.028 0.000 1.879 397 C CA -0.781 58.286 59.018 0.081 0.000 1.262 397 C CB -1.678 26.170 27.740 0.180 0.000 2.186 397 C HN 0.548 nan 8.230 nan 0.000 0.552 398 V N 2.942 122.839 119.914 -0.027 0.000 2.999 398 V HA 0.177 4.297 4.120 0.000 0.000 0.307 398 V C 0.833 176.905 176.094 -0.037 0.000 1.084 398 V CA 0.941 63.209 62.300 -0.053 0.000 1.155 398 V CB 0.229 32.016 31.823 -0.060 0.000 0.975 398 V HN 0.845 nan 8.190 nan 0.000 0.490 399 N N 0.562 119.233 118.700 -0.048 0.000 2.725 399 N HA -0.189 4.551 4.740 0.000 0.000 0.251 399 N C -0.062 175.370 175.510 -0.129 0.000 1.031 399 N CA 1.059 54.073 53.050 -0.061 0.000 0.720 399 N CB -0.831 37.625 38.487 -0.051 0.000 0.930 399 N HN 0.937 nan 8.380 nan 0.000 0.543 400 A N -0.104 122.641 122.820 -0.125 0.000 3.200 400 A HA 0.730 5.050 4.320 0.000 0.000 0.208 400 A C 0.234 177.604 177.584 -0.357 0.000 1.360 400 A CA -0.296 51.563 52.037 -0.296 0.000 0.892 400 A CB 0.746 19.685 19.000 -0.102 0.000 1.600 400 A HN 0.388 nan 8.150 nan 0.000 0.501 401 H N -0.391 118.723 119.070 0.073 0.000 2.674 401 H HA 0.389 4.945 4.556 0.000 0.000 0.235 401 H C -0.996 174.371 175.328 0.066 0.000 1.330 401 H CA -0.190 55.902 56.048 0.074 0.000 1.052 401 H CB -0.372 29.415 29.762 0.041 0.000 1.954 401 H HN 0.342 nan 8.280 nan 0.000 0.566 402 I N 0.767 121.433 120.570 0.159 0.000 2.499 402 I HA 0.125 4.295 4.170 0.000 0.000 0.296 402 I C 1.107 177.282 176.117 0.097 0.000 0.992 402 I CA -0.072 61.215 61.300 -0.022 0.000 1.297 402 I CB 1.875 39.687 38.000 -0.314 0.000 1.410 402 I HN 0.158 nan 8.210 nan 0.000 0.507 403 Q N 1.630 121.372 119.800 -0.096 0.000 2.644 403 Q HA 0.083 4.423 4.340 0.000 0.000 0.220 403 Q C -0.177 175.780 176.000 -0.072 0.000 0.866 403 Q CA 0.028 55.805 55.803 -0.043 0.000 0.915 403 Q CB 0.492 29.180 28.738 -0.082 0.000 1.191 403 Q HN 0.557 nan 8.270 nan 0.000 0.641 404 D N 0.094 120.364 120.400 -0.217 0.000 2.380 404 D HA 0.099 4.739 4.640 0.000 0.000 0.230 404 D C -0.670 175.434 176.300 -0.327 0.000 1.154 404 D CA -0.219 53.688 54.000 -0.154 0.000 0.859 404 D CB 0.405 41.135 40.800 -0.116 0.000 1.045 404 D HN 0.002 nan 8.370 nan 0.000 0.495 405 F N 1.318 121.265 119.950 -0.005 0.000 2.660 405 F HA 0.023 4.550 4.527 0.000 0.000 0.302 405 F C 2.442 178.175 175.800 -0.112 0.000 1.103 405 F CA -0.193 57.799 58.000 -0.012 0.000 1.340 405 F CB -0.032 39.022 39.000 0.090 0.000 1.048 405 F HN 0.325 nan 8.300 nan 0.000 0.551 406 S N -0.571 115.131 115.700 0.005 0.000 2.419 406 S HA -0.239 4.231 4.470 0.000 0.000 0.235 406 S C 2.201 176.742 174.600 -0.098 0.000 1.019 406 S CA 1.407 59.581 58.200 -0.042 0.000 0.982 406 S CB -0.919 62.270 63.200 -0.018 0.000 0.789 406 S HN 0.436 nan 8.310 nan 0.000 0.490 407 S N 1.221 116.851 115.700 -0.117 0.000 2.453 407 S HA 0.026 4.497 4.470 0.000 0.000 0.231 407 S C 1.718 176.199 174.600 -0.198 0.000 1.005 407 S CA 0.758 58.871 58.200 -0.145 0.000 0.949 407 S CB -0.792 62.326 63.200 -0.138 0.000 0.774 407 S HN 0.399 nan 8.310 nan 0.000 0.510 408 V N 2.158 121.912 119.914 -0.268 0.000 2.548 408 V HA 0.026 4.146 4.120 0.000 0.000 0.249 408 V C 2.819 178.677 176.094 -0.394 0.000 1.055 408 V CA 1.585 63.629 62.300 -0.425 0.000 1.065 408 V CB -1.525 29.837 31.823 -0.769 0.000 0.681 408 V HN 0.654 nan 8.190 nan 0.000 0.462 409 G N -0.237 108.340 108.800 -0.372 0.000 2.509 409 G HA2 -0.204 3.756 3.960 0.000 0.000 0.218 409 G HA3 -0.204 3.756 3.960 0.000 0.000 0.218 409 G C 1.536 176.383 174.900 -0.087 0.000 1.124 409 G CA 0.363 45.302 45.100 -0.268 0.000 0.776 409 G HN 0.369 nan 8.290 nan 0.000 0.547 410 K N -0.146 120.183 120.400 -0.118 0.000 2.211 410 K HA -0.007 4.314 4.320 0.000 0.000 0.204 410 K C 0.367 176.913 176.600 -0.091 0.000 1.047 410 K CA 0.355 56.586 56.287 -0.094 0.000 0.935 410 K CB -0.148 32.276 32.500 -0.126 0.000 0.728 410 K HN 0.301 nan 8.250 nan 0.000 0.452 411 I N 1.078 121.575 120.570 -0.122 0.000 2.337 411 I HA 0.170 4.340 4.170 0.000 0.000 0.285 411 I C -1.955 174.112 176.117 -0.084 0.000 1.041 411 I CA -2.344 58.889 61.300 -0.110 0.000 1.199 411 I CB 1.548 39.461 38.000 -0.147 0.000 1.370 411 I HN -0.101 nan 8.210 nan 0.000 0.470 412 P HA -0.119 nan 4.420 nan 0.000 0.220 412 P C 1.503 178.804 177.300 0.002 0.000 1.148 412 P CA 0.894 64.000 63.100 0.010 0.000 0.803 412 P CB 0.351 32.063 31.700 0.020 0.000 0.782 413 A N -0.325 122.479 122.820 -0.026 0.000 1.972 413 A HA -0.146 4.174 4.320 0.000 0.000 0.219 413 A C 2.035 179.606 177.584 -0.022 0.000 1.169 413 A CA 1.282 53.304 52.037 -0.024 0.000 0.635 413 A CB -1.587 17.385 19.000 -0.046 0.000 0.810 413 A HN 0.162 nan 8.150 nan 0.000 0.446 414 L N -0.309 120.878 121.223 -0.060 0.000 2.465 414 L HA -0.114 4.226 4.340 0.000 0.000 0.224 414 L C 1.869 178.723 176.870 -0.028 0.000 1.145 414 L CA 0.210 55.007 54.840 -0.073 0.000 0.834 414 L CB -0.693 41.241 42.059 -0.209 0.000 0.944 414 L HN 0.306 nan 8.230 nan 0.000 0.451 415 N N 0.846 119.557 118.700 0.018 0.000 2.069 415 N HA -0.215 4.525 4.740 0.000 0.000 0.196 415 N C 1.509 177.117 175.510 0.164 0.000 1.024 415 N CA 1.659 54.791 53.050 0.136 0.000 0.869 415 N CB -0.293 38.325 38.487 0.219 0.000 1.035 415 N HN 0.405 nan 8.380 nan 0.000 0.434 416 N N 0.454 119.226 118.700 0.121 0.000 2.319 416 N HA 0.008 4.748 4.740 0.000 0.000 0.189 416 N C -0.054 175.528 175.510 0.121 0.000 1.042 416 N CA 0.424 53.542 53.050 0.113 0.000 0.879 416 N CB -0.793 37.743 38.487 0.081 0.000 1.052 416 N HN 0.126 nan 8.380 nan 0.000 0.446 417 N N 0.896 119.657 118.700 0.102 0.000 3.059 417 N HA 0.032 4.773 4.740 0.000 0.000 0.321 417 N C -1.209 174.409 175.510 0.181 0.000 1.224 417 N CA 0.225 53.339 53.050 0.106 0.000 1.197 417 N CB -0.889 37.641 38.487 0.070 0.000 1.453 417 N HN 0.157 nan 8.380 nan 0.000 0.544 418 F N -0.050 119.886 119.950 -0.023 0.000 2.588 418 F HA 0.350 4.877 4.527 0.000 0.000 0.318 418 F C -1.110 174.664 175.800 -0.044 0.000 1.155 418 F CA -1.147 56.828 58.000 -0.041 0.000 0.967 418 F CB 1.439 40.403 39.000 -0.062 0.000 1.236 418 F HN -0.015 nan 8.300 nan 0.000 0.455 419 E N 4.427 124.261 120.200 -0.611 0.000 2.218 419 E HA 0.730 5.080 4.350 0.000 0.000 0.263 419 E C -0.861 175.280 176.600 -0.765 0.000 0.879 419 E CA -0.635 55.425 56.400 -0.566 0.000 0.762 419 E CB 1.893 31.457 29.700 -0.226 0.000 1.166 419 E HN 0.646 nan 8.360 nan 0.000 0.415 420 A N 3.654 126.027 122.820 -0.745 0.000 2.709 420 A HA 0.095 4.415 4.320 0.000 0.000 0.241 420 A C -0.031 177.348 177.584 -0.341 0.000 0.879 420 A CA -0.632 51.093 52.037 -0.520 0.000 1.120 420 A CB 0.166 18.729 19.000 -0.728 0.000 1.226 420 A HN 0.520 nan 8.150 nan 0.000 0.468 421 E N -0.539 119.500 120.200 -0.269 0.000 2.376 421 E HA 0.428 4.778 4.350 0.000 0.000 0.254 421 E C 0.923 177.435 176.600 -0.146 0.000 1.213 421 E CA 0.072 56.348 56.400 -0.207 0.000 0.945 421 E CB 0.146 29.740 29.700 -0.177 0.000 1.057 421 E HN 1.196 nan 8.360 nan 0.000 0.479 422 G N 0.661 109.369 108.800 -0.152 0.000 2.179 422 G HA2 -0.252 3.709 3.960 0.000 0.000 0.257 422 G HA3 -0.252 3.709 3.960 0.000 0.000 0.257 422 G C 0.008 174.865 174.900 -0.072 0.000 1.010 422 G CA 0.325 45.358 45.100 -0.111 0.000 0.736 422 G HN 0.398 nan 8.290 nan 0.000 0.513 423 Q N 0.545 120.304 119.800 -0.070 0.000 2.395 423 Q HA 0.424 4.764 4.340 0.000 0.000 0.271 423 Q C 0.655 176.693 176.000 0.063 0.000 1.026 423 Q CA 1.232 57.074 55.803 0.065 0.000 0.900 423 Q CB 0.877 29.767 28.738 0.254 0.000 1.266 423 Q HN 0.784 nan 8.270 nan 0.000 0.430 424 T N -0.439 114.237 114.554 0.203 0.000 2.963 424 T HA 0.563 4.913 4.350 0.000 0.000 0.328 424 T C -0.140 174.679 174.700 0.199 0.000 1.048 424 T CA -0.798 61.412 62.100 0.185 0.000 1.033 424 T CB 0.336 69.312 68.868 0.179 0.000 1.010 424 T HN 0.265 nan 8.240 nan 0.000 0.469 425 I N 2.479 123.123 120.570 0.124 0.000 2.460 425 I HA 0.560 4.730 4.170 0.000 0.000 0.298 425 I C 0.194 176.313 176.117 0.003 0.000 0.989 425 I CA -0.886 60.461 61.300 0.077 0.000 1.173 425 I CB 1.365 39.437 38.000 0.119 0.000 1.338 425 I HN 0.627 nan 8.210 nan 0.000 0.456 426 T N 6.358 120.897 114.554 -0.024 0.000 2.890 426 T HA 0.523 4.873 4.350 0.000 0.000 0.295 426 T C 0.058 174.755 174.700 -0.004 0.000 0.993 426 T CA -0.533 61.549 62.100 -0.031 0.000 0.979 426 T CB 1.257 70.081 68.868 -0.073 0.000 0.967 426 T HN 0.276 nan 8.240 nan 0.000 0.441 427 M N 3.784 123.398 119.600 0.023 0.000 2.471 427 M HA 0.488 4.969 4.480 0.000 0.000 0.309 427 M C -2.171 174.150 176.300 0.035 0.000 1.186 427 M CA -2.995 52.333 55.300 0.046 0.000 1.008 427 M CB 0.308 32.964 32.600 0.094 0.000 1.551 427 M HN 0.276 nan 8.290 nan 0.000 0.477 428 P HA 0.198 nan 4.420 nan 0.000 0.275 428 P C -1.103 176.226 177.300 0.049 0.000 1.227 428 P CA -0.365 62.755 63.100 0.034 0.000 0.781 428 P CB 0.119 31.838 31.700 0.032 0.000 0.906 429 K N 1.536 121.960 120.400 0.039 0.000 2.355 429 K HA 0.266 4.587 4.320 0.000 0.000 0.270 429 K C -0.113 176.531 176.600 0.072 0.000 1.003 429 K CA -0.298 56.022 56.287 0.056 0.000 0.957 429 K CB 0.545 33.066 32.500 0.035 0.000 0.939 429 K HN 0.247 nan 8.250 nan 0.000 0.482 430 E N 0.846 121.108 120.200 0.104 0.000 2.284 430 E HA 0.366 4.717 4.350 0.000 0.000 0.255 430 E C -0.750 175.917 176.600 0.111 0.000 1.052 430 E CA -0.677 55.780 56.400 0.095 0.000 0.904 430 E CB 1.685 31.441 29.700 0.092 0.000 1.217 430 E HN 0.678 nan 8.360 nan 0.000 0.438 431 T N 0.292 114.892 114.554 0.077 0.000 2.918 431 T HA 0.489 4.839 4.350 0.000 0.000 0.286 431 T C 0.120 174.834 174.700 0.023 0.000 1.026 431 T CA -0.732 61.410 62.100 0.069 0.000 1.031 431 T CB 0.524 69.419 68.868 0.046 0.000 1.046 431 T HN 0.175 nan 8.240 nan 0.000 0.479 432 L N 1.974 123.192 121.223 -0.009 0.000 2.475 432 L HA 0.500 4.840 4.340 0.000 0.000 0.253 432 L C 0.558 177.401 176.870 -0.045 0.000 1.198 432 L CA -0.468 54.315 54.840 -0.095 0.000 0.814 432 L CB 0.461 42.426 42.059 -0.157 0.000 1.134 432 L HN 0.800 nan 8.230 nan 0.000 0.478 433 T N -1.353 113.168 114.554 -0.055 0.000 3.066 433 T HA 0.413 4.763 4.350 0.000 0.000 0.318 433 T C -0.314 174.366 174.700 -0.034 0.000 0.979 433 T CA -0.907 61.176 62.100 -0.029 0.000 1.025 433 T CB 1.262 70.121 68.868 -0.016 0.000 1.002 433 T HN 0.739 nan 8.240 nan 0.000 0.453 434 N N 3.270 121.955 118.700 -0.026 0.000 1.275 434 N HA -0.212 4.528 4.740 0.000 0.000 0.130 434 N C -0.143 175.344 175.510 -0.038 0.000 0.862 434 N CA 0.972 54.008 53.050 -0.023 0.000 0.908 434 N CB -1.039 37.438 38.487 -0.017 0.000 1.078 434 N HN 0.836 nan 8.380 nan 0.000 0.600 435 N N 0.610 119.288 118.700 -0.037 0.000 2.455 435 N HA 0.302 5.043 4.740 0.000 0.000 0.258 435 N C -0.737 174.728 175.510 -0.075 0.000 1.158 435 N CA 0.072 53.091 53.050 -0.051 0.000 0.893 435 N CB 0.291 38.766 38.487 -0.021 0.000 1.173 435 N HN 0.541 nan 8.380 nan 0.000 0.503 436 S N -0.491 115.153 115.700 -0.093 0.000 2.685 436 S HA 0.751 5.221 4.470 0.000 0.000 0.282 436 S C -1.537 173.002 174.600 -0.102 0.000 1.159 436 S CA -0.895 57.262 58.200 -0.071 0.000 0.833 436 S CB 2.158 65.349 63.200 -0.016 0.000 1.151 436 S HN 0.021 nan 8.310 nan 0.000 0.485 437 L N 0.837 122.049 121.223 -0.019 0.000 2.588 437 L HA 0.636 4.976 4.340 0.000 0.000 0.263 437 L C -1.124 175.833 176.870 0.145 0.000 0.935 437 L CA 0.236 55.087 54.840 0.017 0.000 0.891 437 L CB 1.877 43.892 42.059 -0.073 0.000 1.318 437 L HN 0.986 nan 8.230 nan 0.000 0.409 438 T N 5.942 120.553 114.554 0.095 0.000 2.859 438 T HA 0.820 5.170 4.350 0.000 0.000 0.281 438 T C -0.343 174.426 174.700 0.114 0.000 1.005 438 T CA -0.303 61.853 62.100 0.095 0.000 1.025 438 T CB 1.187 70.072 68.868 0.029 0.000 0.977 438 T HN 0.623 nan 8.240 nan 0.000 0.458 439 I N -0.951 119.698 120.570 0.131 0.000 2.865 439 I HA 0.897 5.067 4.170 0.000 0.000 0.302 439 I C -0.641 175.516 176.117 0.066 0.000 1.140 439 I CA -1.748 59.626 61.300 0.123 0.000 1.021 439 I CB 1.936 40.058 38.000 0.203 0.000 1.233 439 I HN 0.652 nan 8.210 nan 0.000 0.427 440 A N 4.174 127.031 122.820 0.062 0.000 2.366 440 A HA 0.569 4.889 4.320 0.000 0.000 0.272 440 A C 0.011 177.628 177.584 0.055 0.000 1.135 440 A CA -0.427 51.636 52.037 0.043 0.000 0.804 440 A CB 0.590 19.617 19.000 0.045 0.000 1.064 440 A HN 0.570 nan 8.150 nan 0.000 0.499 441 V N 2.904 122.835 119.914 0.027 0.000 2.585 441 V HA 0.046 4.166 4.120 0.000 0.000 0.296 441 V C 1.320 177.482 176.094 0.114 0.000 1.035 441 V CA 0.118 62.433 62.300 0.025 0.000 1.084 441 V CB 1.066 32.898 31.823 0.015 0.000 0.953 441 V HN 0.974 nan 8.190 nan 0.000 0.483 442 S N 7.349 123.166 115.700 0.194 0.000 2.596 442 S HA 0.045 4.516 4.470 0.000 0.000 0.298 442 S C -0.670 173.969 174.600 0.065 0.000 1.255 442 S CA -0.773 57.500 58.200 0.123 0.000 1.083 442 S CB 0.538 63.807 63.200 0.115 0.000 0.837 442 S HN 0.743 nan 8.310 nan 0.000 0.499 443 P HA -0.052 nan 4.420 nan 0.000 0.222 443 P C 0.579 177.884 177.300 0.009 0.000 1.147 443 P CA 0.756 63.873 63.100 0.029 0.000 0.790 443 P CB 0.092 31.808 31.700 0.027 0.000 0.780 444 D N -0.061 120.338 120.400 -0.003 0.000 2.312 444 D HA -0.009 4.631 4.640 0.000 0.000 0.211 444 D C 0.896 177.163 176.300 -0.055 0.000 0.964 444 D CA 0.397 54.381 54.000 -0.026 0.000 0.877 444 D CB -0.203 40.579 40.800 -0.030 0.000 0.924 444 D HN 0.268 nan 8.370 nan 0.000 0.515 445 L N 1.848 123.019 121.223 -0.086 0.000 2.574 445 L HA 0.081 4.421 4.340 0.000 0.000 0.281 445 L C -0.056 176.777 176.870 -0.062 0.000 1.212 445 L CA 0.237 54.969 54.840 -0.180 0.000 1.082 445 L CB -0.252 41.633 42.059 -0.290 0.000 1.362 445 L HN -0.206 nan 8.230 nan 0.000 0.451 446 L N 2.266 123.494 121.223 0.008 0.000 2.408 446 L HA 0.422 4.762 4.340 0.000 0.000 0.268 446 L C -0.115 176.848 176.870 0.156 0.000 0.986 446 L CA -1.013 53.867 54.840 0.066 0.000 0.820 446 L CB 2.194 44.281 42.059 0.046 0.000 1.303 446 L HN 0.429 nan 8.230 nan 0.000 0.411 447 D N 0.895 121.382 120.400 0.144 0.000 2.425 447 D HA -0.018 4.623 4.640 0.000 0.000 0.274 447 D C 0.811 177.158 176.300 0.078 0.000 1.242 447 D CA -0.253 53.837 54.000 0.149 0.000 1.060 447 D CB 0.529 41.414 40.800 0.141 0.000 1.112 447 D HN 0.593 nan 8.370 nan 0.000 0.561 448 Q N -1.362 118.372 119.800 -0.109 0.000 2.173 448 Q HA -0.185 4.155 4.340 0.000 0.000 0.208 448 Q C 0.718 176.300 176.000 -0.696 0.000 0.989 448 Q CA 1.750 57.241 55.803 -0.520 0.000 0.872 448 Q CB -0.245 27.944 28.738 -0.916 0.000 0.909 448 Q HN 0.573 nan 8.270 nan 0.000 0.420 449 F N -1.585 118.389 119.950 0.041 0.000 2.708 449 F HA 0.417 4.945 4.527 0.000 0.000 0.300 449 F C 1.056 176.869 175.800 0.021 0.000 1.118 449 F CA 0.040 58.050 58.000 0.017 0.000 1.307 449 F CB 0.660 39.667 39.000 0.013 0.000 0.986 449 F HN 0.071 nan 8.300 nan 0.000 0.522 450 G N 0.934 109.814 108.800 0.134 0.000 2.225 450 G HA2 -0.295 3.665 3.960 0.000 0.000 0.267 450 G HA3 -0.295 3.665 3.960 0.000 0.000 0.267 450 G C -0.080 174.886 174.900 0.110 0.000 1.024 450 G CA -0.158 45.002 45.100 0.099 0.000 0.784 450 G HN 0.338 nan 8.290 nan 0.000 0.507 451 N N 0.527 119.316 118.700 0.148 0.000 2.492 451 N HA 0.532 5.272 4.740 0.000 0.000 0.289 451 N C -2.490 173.082 175.510 0.103 0.000 1.133 451 N CA -1.602 51.523 53.050 0.125 0.000 0.961 451 N CB 1.151 39.728 38.487 0.152 0.000 1.186 451 N HN 0.015 nan 8.380 nan 0.000 0.493 452 P HA 0.123 nan 4.420 nan 0.000 0.269 452 P C -0.150 177.197 177.300 0.079 0.000 1.215 452 P CA 0.293 63.438 63.100 0.075 0.000 0.780 452 P CB 0.680 32.429 31.700 0.081 0.000 0.898 453 M N 1.304 120.942 119.600 0.064 0.000 2.613 453 M HA 0.270 4.750 4.480 0.000 0.000 0.301 453 M C 0.302 176.629 176.300 0.044 0.000 1.205 453 M CA -0.519 54.831 55.300 0.083 0.000 0.950 453 M CB 0.888 33.566 32.600 0.130 0.000 1.585 453 M HN 0.224 nan 8.290 nan 0.000 0.490 454 N N 1.014 119.747 118.700 0.056 0.000 2.488 454 N HA 0.285 5.025 4.740 0.000 0.000 0.274 454 N C -1.279 174.214 175.510 -0.027 0.000 1.111 454 N CA -0.220 52.828 53.050 -0.003 0.000 0.974 454 N CB 0.747 39.248 38.487 0.024 0.000 1.089 454 N HN 0.304 nan 8.380 nan 0.000 0.465 455 I N 2.160 122.600 120.570 -0.217 0.000 2.330 455 I HA 0.222 4.392 4.170 0.000 0.000 0.289 455 I C -0.317 175.726 176.117 -0.123 0.000 1.001 455 I CA -0.641 60.523 61.300 -0.228 0.000 1.193 455 I CB 0.971 38.525 38.000 -0.744 0.000 1.345 455 I HN 0.469 nan 8.210 nan 0.000 0.461 456 E N 7.682 127.904 120.200 0.036 0.000 2.173 456 E HA 0.406 4.756 4.350 0.000 0.000 0.249 456 E C -2.463 174.217 176.600 0.133 0.000 0.923 456 E CA -1.749 54.685 56.400 0.056 0.000 0.754 456 E CB 0.914 30.642 29.700 0.048 0.000 1.177 456 E HN 0.298 nan 8.360 nan 0.000 0.430 457 P HA 0.079 nan 4.420 nan 0.000 0.268 457 P C 0.400 177.867 177.300 0.279 0.000 1.205 457 P CA -0.310 62.922 63.100 0.219 0.000 0.771 457 P CB 0.781 32.444 31.700 -0.061 0.000 0.858 458 G N 2.314 111.374 108.800 0.432 0.000 2.526 458 G HA2 -0.026 3.935 3.960 0.000 0.000 0.293 458 G HA3 -0.026 3.935 3.960 0.000 0.000 0.293 458 G C -0.152 174.995 174.900 0.412 0.000 0.882 458 G CA -0.038 45.265 45.100 0.338 0.000 1.656 458 G HN 0.381 nan 8.290 nan 0.000 0.474 459 D N 2.008 122.564 120.400 0.260 0.000 2.338 459 D HA 0.263 4.903 4.640 0.000 0.000 0.255 459 D C 1.176 177.616 176.300 0.235 0.000 1.237 459 D CA 0.274 54.407 54.000 0.221 0.000 0.883 459 D CB 1.208 42.074 40.800 0.110 0.000 1.087 459 D HN 0.321 nan 8.370 nan 0.000 0.485 460 G N 2.204 111.211 108.800 0.345 0.000 3.342 460 G HA2 0.263 4.223 3.960 0.000 0.000 0.252 460 G HA3 0.263 4.223 3.960 0.000 0.000 0.252 460 G C 0.563 175.505 174.900 0.070 0.000 1.011 460 G CA -0.186 45.060 45.100 0.244 0.000 0.869 460 G HN 0.502 nan 8.290 nan 0.000 0.514 461 G N -0.036 108.634 108.800 -0.216 0.000 2.356 461 G HA2 0.472 4.432 3.960 0.000 0.000 0.322 461 G HA3 0.472 4.432 3.960 0.000 0.000 0.322 461 G C -1.008 173.593 174.900 -0.498 0.000 1.125 461 G CA -0.510 44.051 45.100 -0.899 0.000 0.885 461 G HN 0.461 nan 8.290 nan 0.000 0.467 462 V N 4.618 124.280 119.914 -0.419 0.000 2.328 462 V HA 0.453 4.573 4.120 0.000 0.000 0.278 462 V C -0.688 175.272 176.094 -0.223 0.000 1.021 462 V CA -1.179 60.984 62.300 -0.229 0.000 0.838 462 V CB 0.373 32.105 31.823 -0.151 0.000 0.999 462 V HN 0.663 nan 8.190 nan 0.000 0.447 463 Y N 5.359 125.497 120.300 -0.269 0.000 2.544 463 Y HA 0.311 4.861 4.550 0.001 0.000 0.330 463 Y C 0.238 176.045 175.900 -0.154 0.000 1.136 463 Y CA 0.139 58.104 58.100 -0.225 0.000 1.417 463 Y CB 0.942 39.306 38.460 -0.160 0.000 1.229 463 Y HN 0.839 nan 8.280 nan 0.000 0.532 464 D N 5.364 125.349 120.400 -0.692 0.000 2.392 464 D HA 0.102 4.743 4.640 0.000 0.000 0.228 464 D C 0.601 176.303 176.300 -0.998 0.000 1.074 464 D CA -0.258 53.368 54.000 -0.623 0.000 0.838 464 D CB 1.550 42.141 40.800 -0.348 0.000 1.067 464 D HN 0.777 nan 8.370 nan 0.000 0.511 465 Q N 3.466 122.771 119.800 -0.824 0.000 2.079 465 Q HA -0.161 4.179 4.340 0.000 0.000 0.200 465 Q C 1.749 177.579 176.000 -0.283 0.000 0.974 465 Q CA 1.534 56.987 55.803 -0.582 0.000 0.840 465 Q CB 0.023 28.651 28.738 -0.184 0.000 0.898 465 Q HN 0.641 nan 8.270 nan 0.000 0.430 466 A N 0.421 123.112 122.820 -0.214 0.000 1.859 466 A HA -0.287 4.033 4.320 0.000 0.000 0.218 466 A C 2.281 179.794 177.584 -0.118 0.000 1.209 466 A CA 2.768 54.728 52.037 -0.128 0.000 0.639 466 A CB -1.502 17.432 19.000 -0.110 0.000 0.835 466 A HN 0.677 nan 8.150 nan 0.000 0.450 467 T N -4.005 110.456 114.554 -0.154 0.000 3.067 467 T HA 0.063 4.413 4.350 0.000 0.000 0.261 467 T C 0.749 175.383 174.700 -0.111 0.000 1.110 467 T CA 0.912 62.942 62.100 -0.117 0.000 1.113 467 T CB -0.428 68.373 68.868 -0.112 0.000 0.917 467 T HN 0.718 nan 8.240 nan 0.000 0.499 468 N N 1.740 120.328 118.700 -0.187 0.000 2.727 468 N HA -0.163 4.577 4.740 0.000 0.000 0.251 468 N C -0.438 175.069 175.510 -0.005 0.000 1.040 468 N CA 1.086 54.102 53.050 -0.056 0.000 0.712 468 N CB -1.527 36.999 38.487 0.067 0.000 0.912 468 N HN 0.941 nan 8.380 nan 0.000 0.545 469 T N -1.758 112.724 114.554 -0.121 0.000 2.906 469 T HA 0.761 5.111 4.350 0.000 0.000 0.295 469 T C 0.086 174.714 174.700 -0.120 0.000 1.075 469 T CA -0.983 61.068 62.100 -0.083 0.000 1.005 469 T CB 1.680 70.496 68.868 -0.087 0.000 1.136 469 T HN 0.181 nan 8.240 nan 0.000 0.498 470 I N 1.114 121.595 120.570 -0.149 0.000 2.530 470 I HA 0.509 4.679 4.170 0.000 0.000 0.297 470 I C -0.360 175.583 176.117 -0.289 0.000 1.011 470 I CA -0.847 60.239 61.300 -0.357 0.000 1.107 470 I CB 2.498 40.065 38.000 -0.722 0.000 1.285 470 I HN 0.694 nan 8.210 nan 0.000 0.436 471 T N 4.520 118.859 114.554 -0.359 0.000 2.847 471 T HA 0.339 4.690 4.350 0.000 0.000 0.291 471 T C -0.875 173.706 174.700 -0.199 0.000 0.998 471 T CA -0.450 61.562 62.100 -0.146 0.000 0.967 471 T CB 0.697 69.510 68.868 -0.091 0.000 0.954 471 T HN 0.333 nan 8.240 nan 0.000 0.441 472 W N 2.472 123.762 121.300 -0.017 0.000 2.438 472 W HA 0.413 5.073 4.660 0.000 0.000 0.324 472 W C 0.429 176.927 176.519 -0.034 0.000 1.119 472 W CA -0.719 56.619 57.345 -0.011 0.000 1.221 472 W CB 1.012 30.473 29.460 0.001 0.000 1.253 472 W HN 0.466 nan 8.180 nan 0.000 0.555 473 E N 1.935 122.245 120.200 0.183 0.000 2.222 473 E HA 0.106 4.456 4.350 0.000 0.000 0.272 473 E C 0.142 176.799 176.600 0.096 0.000 0.982 473 E CA -0.584 55.873 56.400 0.095 0.000 0.842 473 E CB 0.996 30.727 29.700 0.053 0.000 1.144 473 E HN 0.365 nan 8.360 nan 0.000 0.397 474 N N 0.994 119.722 118.700 0.047 0.000 2.671 474 N HA -0.209 4.531 4.740 0.000 0.000 0.261 474 N C -0.942 174.587 175.510 0.031 0.000 1.053 474 N CA 0.411 53.481 53.050 0.034 0.000 0.732 474 N CB -1.362 37.151 38.487 0.044 0.000 0.887 474 N HN 0.214 nan 8.380 nan 0.000 0.546 475 L N 0.162 121.367 121.223 -0.030 0.000 2.307 475 L HA 0.471 4.811 4.340 0.000 0.000 0.282 475 L C 0.833 177.698 176.870 -0.008 0.000 1.051 475 L CA 0.026 54.821 54.840 -0.076 0.000 0.804 475 L CB 1.832 43.647 42.059 -0.407 0.000 1.197 475 L HN 0.242 nan 8.230 nan 0.000 0.431 476 S N 0.285 116.090 115.700 0.174 0.000 2.482 476 S HA 0.257 4.727 4.470 0.000 0.000 0.303 476 S C 0.944 175.757 174.600 0.354 0.000 1.091 476 S CA -0.402 57.918 58.200 0.199 0.000 1.057 476 S CB 1.518 64.788 63.200 0.117 0.000 1.031 476 S HN 0.755 nan 8.310 nan 0.000 0.485 477 T N 2.877 117.599 114.554 0.280 0.000 2.977 477 T HA -0.075 4.275 4.350 0.000 0.000 0.271 477 T C 0.959 175.680 174.700 0.035 0.000 1.105 477 T CA 1.590 63.804 62.100 0.189 0.000 1.116 477 T CB -0.519 68.431 68.868 0.136 0.000 0.878 477 T HN 0.638 nan 8.240 nan 0.000 0.509 478 D N 1.269 121.697 120.400 0.047 0.000 2.182 478 D HA -0.055 4.585 4.640 0.000 0.000 0.201 478 D C 1.132 177.414 176.300 -0.030 0.000 0.986 478 D CA 0.935 54.939 54.000 0.007 0.000 0.847 478 D CB -0.121 40.693 40.800 0.022 0.000 0.942 478 D HN 0.390 nan 8.370 nan 0.000 0.467 479 N N 0.205 118.888 118.700 -0.028 0.000 2.904 479 N HA 0.120 4.861 4.740 0.000 0.000 0.257 479 N C -2.570 172.755 175.510 -0.309 0.000 1.363 479 N CA -1.421 51.574 53.050 -0.090 0.000 0.856 479 N CB 1.307 39.786 38.487 -0.012 0.000 1.166 479 N HN -0.186 nan 8.380 nan 0.000 0.499 480 P HA 0.151 nan 4.420 nan 0.000 0.286 480 P C -0.792 175.850 177.300 -1.098 0.000 1.577 480 P CA 0.291 62.807 63.100 -0.972 0.000 0.805 480 P CB -0.144 31.263 31.700 -0.488 0.000 1.706 481 A N -0.969 121.288 122.820 -0.939 0.000 2.566 481 A HA 0.633 4.954 4.320 0.000 0.000 0.290 481 A C -1.307 176.185 177.584 -0.153 0.000 1.071 481 A CA -0.558 51.225 52.037 -0.424 0.000 0.658 481 A CB 1.219 20.069 19.000 -0.251 0.000 1.285 481 A HN -0.023 nan 8.150 nan 0.000 0.427 482 V N -1.896 117.922 119.914 -0.161 0.000 2.841 482 V HA 0.959 5.080 4.120 0.000 0.000 0.310 482 V C -0.522 175.459 176.094 -0.188 0.000 1.090 482 V CA -0.344 61.685 62.300 -0.452 0.000 0.930 482 V CB 1.277 32.341 31.823 -1.265 0.000 1.014 482 V HN 1.157 nan 8.190 nan 0.000 0.425 483 T N 3.727 118.285 114.554 0.008 0.000 2.916 483 T HA 0.860 5.210 4.350 0.000 0.000 0.292 483 T C -1.291 173.748 174.700 0.565 0.000 1.055 483 T CA -0.423 61.818 62.100 0.235 0.000 1.009 483 T CB 1.772 70.700 68.868 0.099 0.000 1.118 483 T HN 1.281 nan 8.240 nan 0.000 0.497 484 Y N -1.744 118.727 120.300 0.286 0.000 2.441 484 Y HA 0.689 5.240 4.550 0.001 0.000 0.334 484 Y C -0.417 175.587 175.900 0.174 0.000 1.061 484 Y CA -1.205 57.047 58.100 0.252 0.000 1.032 484 Y CB 0.239 38.859 38.460 0.268 0.000 1.266 484 Y HN 0.495 nan 8.280 nan 0.000 0.441 485 T N 4.909 119.561 114.554 0.162 0.000 2.899 485 T HA 0.529 4.879 4.350 0.000 0.000 0.295 485 T C -0.793 173.985 174.700 0.131 0.000 1.033 485 T CA -0.096 62.000 62.100 -0.007 0.000 1.084 485 T CB 0.047 68.884 68.868 -0.052 0.000 0.979 485 T HN 0.561 nan 8.240 nan 0.000 0.532 486 F N -0.693 119.257 119.950 -0.000 0.000 2.551 486 F HA 0.811 5.339 4.527 0.000 0.000 0.316 486 F C -0.443 175.345 175.800 -0.019 0.000 1.089 486 F CA -0.956 57.052 58.000 0.013 0.000 0.915 486 F CB 1.394 40.417 39.000 0.039 0.000 1.186 486 F HN 0.362 nan 8.300 nan 0.000 0.456 487 T N 0.984 115.642 114.554 0.172 0.000 2.952 487 T HA 0.498 4.848 4.350 0.000 0.000 0.305 487 T C -0.636 174.126 174.700 0.102 0.000 1.064 487 T CA -0.942 61.196 62.100 0.064 0.000 1.008 487 T CB 1.517 70.385 68.868 0.000 0.000 1.078 487 T HN 0.900 nan 8.240 nan 0.000 0.459 488 S N 1.728 117.471 115.700 0.072 0.000 2.603 488 S HA 0.278 4.748 4.470 0.000 0.000 0.268 488 S C 1.062 175.705 174.600 0.071 0.000 1.317 488 S CA -0.614 57.635 58.200 0.082 0.000 1.012 488 S CB 0.945 64.183 63.200 0.064 0.000 0.926 488 S HN 0.619 nan 8.310 nan 0.000 0.539 489 E N 1.789 122.046 120.200 0.094 0.000 2.153 489 E HA -0.166 4.184 4.350 0.000 0.000 0.194 489 E C 1.532 178.180 176.600 0.079 0.000 0.988 489 E CA 1.453 57.900 56.400 0.077 0.000 0.811 489 E CB -0.466 29.279 29.700 0.074 0.000 0.746 489 E HN 0.926 nan 8.360 nan 0.000 0.466 490 N N -0.301 118.470 118.700 0.118 0.000 2.515 490 N HA -0.034 4.706 4.740 0.000 0.000 0.185 490 N C 1.303 176.844 175.510 0.052 0.000 1.109 490 N CA 1.094 54.208 53.050 0.107 0.000 0.903 490 N CB -0.226 38.373 38.487 0.187 0.000 0.969 490 N HN 0.122 nan 8.380 nan 0.000 0.450 491 G N -0.993 107.821 108.800 0.024 0.000 2.155 491 G HA2 -0.315 3.645 3.960 0.000 0.000 0.257 491 G HA3 -0.315 3.645 3.960 0.000 0.000 0.257 491 G C 0.995 175.852 174.900 -0.073 0.000 0.983 491 G CA 0.622 45.708 45.100 -0.023 0.000 0.676 491 G HN 0.815 nan 8.290 nan 0.000 0.528 492 A N -0.905 121.866 122.820 -0.081 0.000 2.016 492 A HA 0.583 4.903 4.320 0.000 0.000 0.217 492 A C 1.111 178.474 177.584 -0.368 0.000 1.162 492 A CA 1.168 53.083 52.037 -0.204 0.000 0.662 492 A CB 0.117 19.042 19.000 -0.125 0.000 0.812 492 A HN 0.763 nan 8.150 nan 0.000 0.450 493 I N 0.492 120.885 120.570 -0.295 0.000 2.433 493 I HA 0.482 4.652 4.170 0.000 0.000 0.292 493 I C -1.379 174.603 176.117 -0.226 0.000 1.001 493 I CA -0.826 60.240 61.300 -0.390 0.000 1.119 493 I CB 2.284 39.992 38.000 -0.488 0.000 1.289 493 I HN -0.117 nan 8.210 nan 0.000 0.438 494 V N 4.089 123.834 119.914 -0.282 0.000 2.891 494 V HA 0.915 5.035 4.120 0.000 0.000 0.304 494 V C -0.067 175.662 176.094 -0.608 0.000 1.171 494 V CA -0.478 61.596 62.300 -0.375 0.000 0.943 494 V CB 1.618 33.285 31.823 -0.261 0.000 1.037 494 V HN 0.989 nan 8.190 nan 0.000 0.427 495 G N 1.808 109.880 108.800 -1.213 0.000 2.606 495 G HA2 0.834 4.794 3.960 0.000 0.000 0.300 495 G HA3 0.834 4.794 3.960 0.000 0.000 0.300 495 G C -0.910 173.366 174.900 -1.041 0.000 1.360 495 G CA 0.092 44.484 45.100 -1.180 0.000 0.783 495 G HN 1.011 nan 8.290 nan 0.000 0.484 496 T N -2.536 111.743 114.554 -0.458 0.000 2.893 496 T HA 0.634 4.984 4.350 0.000 0.000 0.293 496 T C -1.114 173.537 174.700 -0.082 0.000 1.027 496 T CA -0.724 61.243 62.100 -0.223 0.000 0.988 496 T CB 1.923 70.706 68.868 -0.141 0.000 1.043 496 T HN 0.908 nan 8.240 nan 0.000 0.461 497 V N 2.544 122.293 119.914 -0.276 0.000 2.289 497 V HA 0.355 4.476 4.120 0.000 0.000 0.272 497 V C 0.385 176.388 176.094 -0.151 0.000 1.026 497 V CA -0.707 61.413 62.300 -0.300 0.000 0.807 497 V CB 0.672 32.082 31.823 -0.688 0.000 1.044 497 V HN 1.109 nan 8.190 nan 0.000 0.443 498 T N 3.549 118.076 114.554 -0.046 0.000 2.814 498 T HA 0.312 4.662 4.350 0.000 0.000 0.297 498 T C 0.419 175.137 174.700 0.030 0.000 0.956 498 T CA 0.303 62.399 62.100 -0.006 0.000 1.123 498 T CB 0.516 69.365 68.868 -0.032 0.000 0.902 498 T HN 0.664 nan 8.240 nan 0.000 0.528 499 T N 6.782 121.369 114.554 0.055 0.000 2.892 499 T HA 0.418 4.768 4.350 0.000 0.000 0.311 499 T C -2.474 172.244 174.700 0.031 0.000 1.033 499 T CA -1.345 60.803 62.100 0.080 0.000 0.991 499 T CB 1.398 70.367 68.868 0.168 0.000 0.981 499 T HN 0.299 nan 8.240 nan 0.000 0.457 500 P HA 0.552 nan 4.420 nan 0.000 0.274 500 P C -0.817 176.509 177.300 0.042 0.000 1.256 500 P CA -0.600 62.454 63.100 -0.077 0.000 0.795 500 P CB 0.442 32.088 31.700 -0.089 0.000 1.038 501 F N -3.192 116.728 119.950 -0.050 0.000 2.645 501 F HA 0.768 5.295 4.527 0.001 0.000 0.310 501 F C -0.188 175.595 175.800 -0.028 0.000 1.102 501 F CA -1.368 56.609 58.000 -0.038 0.000 0.952 501 F CB 1.045 40.014 39.000 -0.051 0.000 1.326 501 F HN 0.395 nan 8.300 nan 0.000 0.456 502 E N 0.000 120.387 120.200 0.311 0.000 2.725 502 E HA 0.000 4.350 4.350 0.000 0.000 0.291 502 E CA 0.000 56.516 56.400 0.194 0.000 0.976 502 E CB 0.000 29.867 29.700 0.279 0.000 0.812 502 E HN 0.000 nan 8.360 nan 0.000 0.440