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 1ibr_1_D DATA FIRST_RESID 2 DATA SEQUENCE ELITILEKTV SPDRLELEAA QKFLERAAVE NLPTFLVELS RVLANPGNSQ DATA SEQUENCE VARVAAGLQI KNSLTSKDPD IKAQYQQRWL AIDANARREV KNYVLQTLGT DATA SEQUENCE ETYRPSSASQ CVAGIACAEI PVNQWPELIP QLVANVTNPN STEHMKESTL DATA SEQUENCE EAIGYICQDI DPEQLQDKSN EILTAIIQGM RKEEPSNNVK LAATNALLNS DATA SEQUENCE LEFTKANFDK ESERHFIMQV VCEATQCPDT RVRVAALQNL VKIMSLYYQY DATA SEQUENCE METYMGPALF AITIEAMKSD IDEVALQGIE FWSNVCDEEM DLAIEASEAA DATA SEQUENCE EQGRPPEHTS KFYAKGALQY LVPILTQTLT KQDENDDDDD WNPCKAAGVC DATA SEQUENCE LMLLATCCED DIVPHVLPFI KEHIKNPDWR YRDAAVMAFG CILEGPEPSQ DATA SEQUENCE LKPLVIQAMP TLIELMKDPS VVVRDTAAWT VGRICELL 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.530 176.600 -0.117 0.000 1.382 2 E CA 0.000 56.371 56.400 -0.049 0.000 0.976 2 E CB 0.000 29.660 29.700 -0.067 0.000 0.812 3 L N 0.944 122.157 121.223 -0.017 0.000 2.017 3 L HA -0.027 4.314 4.340 0.003 0.000 0.208 3 L C 2.139 178.970 176.870 -0.064 0.000 1.073 3 L CA 1.705 56.547 54.840 0.004 0.000 0.745 3 L CB -0.145 41.991 42.059 0.129 0.000 0.894 3 L HN 0.353 nan 8.230 nan 0.000 0.432 4 I N -0.533 120.008 120.570 -0.047 0.000 2.361 4 I HA -0.307 3.864 4.170 0.003 0.000 0.251 4 I C 2.337 178.406 176.117 -0.080 0.000 1.133 4 I CA 1.508 62.776 61.300 -0.053 0.000 1.413 4 I CB -0.366 37.610 38.000 -0.040 0.000 1.073 4 I HN 0.314 nan 8.210 nan 0.000 0.424 5 T N 1.607 116.096 114.554 -0.107 0.000 2.708 5 T HA -0.154 4.198 4.350 0.003 0.000 0.266 5 T C 1.829 176.435 174.700 -0.157 0.000 1.037 5 T CA 1.897 63.924 62.100 -0.121 0.000 1.146 5 T CB -0.326 68.466 68.868 -0.126 0.000 0.865 5 T HN 0.438 nan 8.240 nan 0.000 0.435 6 I N 0.067 120.482 120.570 -0.257 0.000 2.353 6 I HA 0.053 4.224 4.170 0.003 0.000 0.248 6 I C 2.090 178.125 176.117 -0.135 0.000 1.119 6 I CA 1.293 62.428 61.300 -0.275 0.000 1.417 6 I CB -0.957 36.684 38.000 -0.599 0.000 1.078 6 I HN 0.103 nan 8.210 nan 0.000 0.421 7 L N 0.371 121.537 121.223 -0.096 0.000 2.131 7 L HA -0.156 4.185 4.340 0.003 0.000 0.210 7 L C 2.595 179.435 176.870 -0.050 0.000 1.092 7 L CA 1.419 56.234 54.840 -0.041 0.000 0.759 7 L CB -0.584 41.458 42.059 -0.028 0.000 0.903 7 L HN 0.291 nan 8.230 nan 0.000 0.435 8 E N 0.268 120.430 120.200 -0.064 0.000 2.204 8 E HA -0.178 4.174 4.350 0.003 0.000 0.194 8 E C 1.969 178.538 176.600 -0.052 0.000 0.989 8 E CA 0.914 57.280 56.400 -0.057 0.000 0.824 8 E CB 0.153 29.819 29.700 -0.058 0.000 0.756 8 E HN 0.293 nan 8.360 nan 0.000 0.477 9 K N -0.665 119.700 120.400 -0.058 0.000 2.365 9 K HA -0.034 4.287 4.320 0.003 0.000 0.199 9 K C 1.671 178.252 176.600 -0.032 0.000 1.045 9 K CA 1.322 57.581 56.287 -0.047 0.000 0.962 9 K CB 0.122 32.588 32.500 -0.056 0.000 0.759 9 K HN 0.210 nan 8.250 nan 0.000 0.469 10 T N -0.690 113.847 114.554 -0.028 0.000 3.025 10 T HA -0.078 4.274 4.350 0.003 0.000 0.270 10 T C 1.524 176.212 174.700 -0.020 0.000 1.126 10 T CA 0.587 62.677 62.100 -0.016 0.000 1.105 10 T CB 0.023 68.886 68.868 -0.010 0.000 0.884 10 T HN 0.007 nan 8.240 nan 0.000 0.522 11 V N 1.128 121.025 119.914 -0.028 0.000 3.271 11 V HA 0.365 4.487 4.120 0.003 0.000 0.327 11 V C 0.571 176.650 176.094 -0.024 0.000 1.389 11 V CA -0.323 61.960 62.300 -0.029 0.000 1.156 11 V CB -0.146 31.654 31.823 -0.038 0.000 1.103 11 V HN 0.475 nan 8.190 nan 0.000 0.453 12 S N 1.858 117.545 115.700 -0.021 0.000 2.513 12 S HA 0.420 4.891 4.470 0.003 0.000 0.276 12 S C -1.065 173.527 174.600 -0.013 0.000 1.254 12 S CA -1.038 57.152 58.200 -0.018 0.000 1.053 12 S CB 1.466 64.654 63.200 -0.019 0.000 0.958 12 S HN 0.457 nan 8.310 nan 0.000 0.491 13 P HA 0.127 nan 4.420 nan 0.000 0.249 13 P C -0.449 176.846 177.300 -0.007 0.000 1.241 13 P CA 0.123 63.217 63.100 -0.009 0.000 0.781 13 P CB -0.167 31.528 31.700 -0.009 0.000 1.088 14 D N 0.675 121.071 120.400 -0.008 0.000 2.373 14 D HA 0.093 4.734 4.640 0.003 0.000 0.227 14 D C 1.636 177.933 176.300 -0.004 0.000 1.091 14 D CA -0.663 53.333 54.000 -0.006 0.000 0.840 14 D CB 0.992 41.788 40.800 -0.008 0.000 1.060 14 D HN -0.095 nan 8.370 nan 0.000 0.502 15 R N 2.958 123.457 120.500 -0.002 0.000 2.119 15 R HA -0.217 4.124 4.340 0.003 0.000 0.246 15 R C 1.417 177.718 176.300 0.002 0.000 1.146 15 R CA 1.119 57.219 56.100 0.000 0.000 0.962 15 R CB -0.634 29.666 30.300 0.001 0.000 0.863 15 R HN 0.384 nan 8.270 nan 0.000 0.442 16 L N 1.231 122.454 121.223 0.000 0.000 2.079 16 L HA -0.126 4.215 4.340 0.003 0.000 0.210 16 L C 2.403 179.274 176.870 0.001 0.000 1.081 16 L CA 1.792 56.633 54.840 0.002 0.000 0.752 16 L CB -0.448 41.611 42.059 0.000 0.000 0.896 16 L HN 0.264 nan 8.230 nan 0.000 0.433 17 E N -0.680 119.517 120.200 -0.004 0.000 2.072 17 E HA -0.133 4.219 4.350 0.003 0.000 0.190 17 E C 2.334 178.931 176.600 -0.005 0.000 0.982 17 E CA 1.025 57.419 56.400 -0.009 0.000 0.803 17 E CB -0.273 29.417 29.700 -0.015 0.000 0.755 17 E HN 0.448 nan 8.360 nan 0.000 0.453 18 L N 0.949 122.172 121.223 -0.001 0.000 2.056 18 L HA -0.167 4.174 4.340 0.003 0.000 0.207 18 L C 2.367 179.247 176.870 0.016 0.000 1.078 18 L CA 1.202 56.045 54.840 0.005 0.000 0.749 18 L CB -0.392 41.670 42.059 0.004 0.000 0.901 18 L HN 0.086 nan 8.230 nan 0.000 0.433 19 E N 0.292 120.501 120.200 0.015 0.000 2.072 19 E HA -0.203 4.149 4.350 0.003 0.000 0.191 19 E C 2.334 178.954 176.600 0.033 0.000 0.985 19 E CA 1.118 57.532 56.400 0.022 0.000 0.801 19 E CB -0.181 29.529 29.700 0.016 0.000 0.750 19 E HN 0.503 nan 8.360 nan 0.000 0.452 20 A N 1.704 124.541 122.820 0.029 0.000 1.902 20 A HA -0.117 4.205 4.320 0.003 0.000 0.217 20 A C 2.415 180.041 177.584 0.071 0.000 1.181 20 A CA 1.730 53.793 52.037 0.044 0.000 0.623 20 A CB -0.614 18.399 19.000 0.022 0.000 0.818 20 A HN 0.288 nan 8.150 nan 0.000 0.443 21 A N -0.776 122.068 122.820 0.040 0.000 1.877 21 A HA -0.219 4.103 4.320 0.003 0.000 0.216 21 A C 2.239 179.892 177.584 0.115 0.000 1.186 21 A CA 1.837 53.903 52.037 0.048 0.000 0.620 21 A CB -0.663 18.342 19.000 0.008 0.000 0.822 21 A HN 0.666 nan 8.150 nan 0.000 0.443 22 Q N -0.243 119.605 119.800 0.081 0.000 2.050 22 Q HA -0.250 4.092 4.340 0.003 0.000 0.202 22 Q C 2.171 178.220 176.000 0.081 0.000 0.980 22 Q CA 2.133 57.984 55.803 0.079 0.000 0.840 22 Q CB -0.196 28.572 28.738 0.050 0.000 0.898 22 Q HN 0.668 nan 8.270 nan 0.000 0.424 23 K N -0.473 119.971 120.400 0.073 0.000 2.057 23 K HA -0.193 4.128 4.320 0.003 0.000 0.207 23 K C 1.932 178.563 176.600 0.052 0.000 1.049 23 K CA 1.435 57.750 56.287 0.047 0.000 0.931 23 K CB -0.340 32.185 32.500 0.041 0.000 0.714 23 K HN 0.243 nan 8.250 nan 0.000 0.440 24 F N 1.213 121.140 119.950 -0.039 0.000 2.102 24 F HA -0.219 4.310 4.527 0.003 0.000 0.298 24 F C 1.645 177.382 175.800 -0.105 0.000 1.105 24 F CA 1.105 59.070 58.000 -0.057 0.000 1.239 24 F CB -0.163 38.821 39.000 -0.027 0.000 0.991 24 F HN -0.011 nan 8.300 nan 0.000 0.474 25 L N 0.679 122.052 121.223 0.249 0.000 2.017 25 L HA -0.181 4.160 4.340 0.003 0.000 0.208 25 L C 2.373 179.139 176.870 -0.173 0.000 1.073 25 L CA 1.744 56.654 54.840 0.116 0.000 0.745 25 L CB -1.641 40.582 42.059 0.273 0.000 0.894 25 L HN 0.276 nan 8.230 nan 0.000 0.432 26 E N -0.715 119.434 120.200 -0.085 0.000 2.077 26 E HA -0.212 4.140 4.350 0.003 0.000 0.193 26 E C 2.309 178.779 176.600 -0.217 0.000 0.989 26 E CA 0.915 57.249 56.400 -0.111 0.000 0.800 26 E CB -0.072 29.600 29.700 -0.045 0.000 0.746 26 E HN 0.433 nan 8.360 nan 0.000 0.452 27 R N 0.449 120.793 120.500 -0.260 0.000 2.073 27 R HA -0.106 4.235 4.340 0.003 0.000 0.234 27 R C 2.441 178.484 176.300 -0.429 0.000 1.134 27 R CA 1.157 57.074 56.100 -0.304 0.000 0.952 27 R CB -0.367 29.747 30.300 -0.310 0.000 0.850 27 R HN 0.113 nan 8.270 nan 0.000 0.433 28 A N 1.227 123.642 122.820 -0.675 0.000 1.940 28 A HA -0.147 4.174 4.320 0.003 0.000 0.219 28 A C 2.357 179.466 177.584 -0.793 0.000 1.176 28 A CA 1.781 53.314 52.037 -0.840 0.000 0.631 28 A CB -0.583 17.667 19.000 -1.251 0.000 0.814 28 A HN 0.425 nan 8.150 nan 0.000 0.446 29 A N -0.716 121.624 122.820 -0.799 0.000 1.902 29 A HA 0.028 4.349 4.320 0.003 0.000 0.217 29 A C 2.233 179.713 177.584 -0.173 0.000 1.181 29 A CA 1.780 53.614 52.037 -0.339 0.000 0.623 29 A CB -0.804 18.114 19.000 -0.137 0.000 0.818 29 A HN 0.377 nan 8.150 nan 0.000 0.443 30 V N -0.125 119.676 119.914 -0.188 0.000 2.323 30 V HA -0.200 3.922 4.120 0.003 0.000 0.244 30 V C 2.567 178.591 176.094 -0.116 0.000 1.041 30 V CA 2.294 64.523 62.300 -0.118 0.000 1.025 30 V CB -0.652 31.107 31.823 -0.107 0.000 0.656 30 V HN 0.727 nan 8.190 nan 0.000 0.451 31 E N 1.077 121.179 120.200 -0.164 0.000 2.038 31 E HA -0.202 4.149 4.350 0.003 0.000 0.195 31 E C 1.045 177.588 176.600 -0.095 0.000 1.000 31 E CA 1.626 57.944 56.400 -0.137 0.000 0.803 31 E CB 0.034 29.623 29.700 -0.185 0.000 0.750 31 E HN 0.563 nan 8.360 nan 0.000 0.448 32 N N -0.471 118.174 118.700 -0.092 0.000 2.827 32 N HA 0.016 4.758 4.740 0.003 0.000 0.240 32 N C 0.027 175.557 175.510 0.033 0.000 1.352 32 N CA -0.100 52.933 53.050 -0.028 0.000 0.760 32 N CB 0.125 38.602 38.487 -0.018 0.000 1.426 32 N HN 0.194 nan 8.380 nan 0.000 0.561 33 L N 2.437 123.686 121.223 0.044 0.000 2.012 33 L HA -0.032 4.310 4.340 0.003 0.000 0.210 33 L C -0.837 176.121 176.870 0.147 0.000 1.073 33 L CA 1.782 56.696 54.840 0.124 0.000 0.748 33 L CB -0.681 41.426 42.059 0.080 0.000 0.891 33 L HN 0.371 nan 8.230 nan 0.000 0.431 34 P HA -0.132 nan 4.420 nan 0.000 0.215 34 P C 1.467 178.812 177.300 0.075 0.000 1.157 34 P CA 1.839 64.968 63.100 0.047 0.000 0.868 34 P CB -0.064 31.629 31.700 -0.012 0.000 0.788 35 T N -1.422 113.181 114.554 0.082 0.000 2.904 35 T HA -0.125 4.226 4.350 0.003 0.000 0.267 35 T C 1.499 176.290 174.700 0.152 0.000 1.059 35 T CA 0.701 62.855 62.100 0.089 0.000 1.137 35 T CB -1.032 67.876 68.868 0.068 0.000 0.879 35 T HN -0.025 nan 8.240 nan 0.000 0.467 36 F N 2.270 122.222 119.950 0.003 0.000 2.102 36 F HA 0.071 4.600 4.527 0.003 0.000 0.298 36 F C 1.868 177.684 175.800 0.026 0.000 1.105 36 F CA 0.735 58.741 58.000 0.009 0.000 1.239 36 F CB -0.702 38.294 39.000 -0.005 0.000 0.991 36 F HN 0.039 nan 8.300 nan 0.000 0.474 37 L N -0.909 120.313 121.223 -0.002 0.000 2.141 37 L HA -0.176 4.166 4.340 0.003 0.000 0.209 37 L C 2.330 179.179 176.870 -0.034 0.000 1.094 37 L CA 0.739 55.526 54.840 -0.088 0.000 0.763 37 L CB -0.806 41.314 42.059 0.102 0.000 0.908 37 L HN 0.012 nan 8.230 nan 0.000 0.437 38 V N -0.063 119.866 119.914 0.025 0.000 2.379 38 V HA -0.262 3.860 4.120 0.003 0.000 0.245 38 V C 2.456 178.513 176.094 -0.062 0.000 1.044 38 V CA 1.883 64.204 62.300 0.034 0.000 1.036 38 V CB -0.313 31.547 31.823 0.062 0.000 0.664 38 V HN 0.476 nan 8.190 nan 0.000 0.453 39 E N 0.060 120.226 120.200 -0.058 0.000 2.072 39 E HA -0.191 4.161 4.350 0.003 0.000 0.191 39 E C 2.256 178.770 176.600 -0.144 0.000 0.985 39 E CA 1.174 57.521 56.400 -0.088 0.000 0.801 39 E CB -0.122 29.581 29.700 0.006 0.000 0.750 39 E HN 0.540 nan 8.360 nan 0.000 0.452 40 L N 0.915 122.016 121.223 -0.203 0.000 2.042 40 L HA -0.215 4.126 4.340 0.003 0.000 0.210 40 L C 2.798 179.568 176.870 -0.167 0.000 1.076 40 L CA 1.575 56.270 54.840 -0.243 0.000 0.749 40 L CB -0.566 41.231 42.059 -0.437 0.000 0.893 40 L HN 0.268 nan 8.230 nan 0.000 0.432 41 S N -0.449 115.167 115.700 -0.140 0.000 2.419 41 S HA -0.178 4.294 4.470 0.003 0.000 0.233 41 S C 2.028 176.528 174.600 -0.166 0.000 1.016 41 S CA 0.744 58.898 58.200 -0.076 0.000 0.974 41 S CB -0.303 62.920 63.200 0.038 0.000 0.786 41 S HN 0.380 nan 8.310 nan 0.000 0.492 42 R N 0.396 120.691 120.500 -0.343 0.000 2.093 42 R HA 0.127 4.468 4.340 0.003 0.000 0.224 42 R C 2.295 178.457 176.300 -0.230 0.000 1.101 42 R CA 1.170 56.965 56.100 -0.509 0.000 0.979 42 R CB -0.586 29.367 30.300 -0.578 0.000 0.877 42 R HN 0.331 nan 8.270 nan 0.000 0.441 43 V N 1.709 121.531 119.914 -0.154 0.000 2.343 43 V HA -0.241 3.881 4.120 0.003 0.000 0.247 43 V C 2.297 178.360 176.094 -0.051 0.000 1.051 43 V CA 1.531 63.780 62.300 -0.086 0.000 1.036 43 V CB -0.459 31.322 31.823 -0.069 0.000 0.654 43 V HN 0.364 nan 8.190 nan 0.000 0.451 44 L N 0.271 121.464 121.223 -0.049 0.000 2.017 44 L HA -0.183 4.159 4.340 0.003 0.000 0.208 44 L C 2.500 179.383 176.870 0.022 0.000 1.073 44 L CA 2.251 57.091 54.840 0.000 0.000 0.745 44 L CB -0.610 41.451 42.059 0.004 0.000 0.894 44 L HN 0.384 nan 8.230 nan 0.000 0.432 45 A N -0.616 122.214 122.820 0.017 0.000 2.067 45 A HA -0.208 4.114 4.320 0.003 0.000 0.219 45 A C 1.244 178.853 177.584 0.041 0.000 1.158 45 A CA 0.661 52.734 52.037 0.061 0.000 0.661 45 A CB -0.780 18.317 19.000 0.162 0.000 0.801 45 A HN 0.664 nan 8.150 nan 0.000 0.452 46 N N 0.930 119.635 118.700 0.008 0.000 2.402 46 N HA 0.135 4.877 4.740 0.003 0.000 0.252 46 N C -1.893 173.626 175.510 0.014 0.000 1.118 46 N CA -1.526 51.529 53.050 0.009 0.000 0.945 46 N CB 1.082 39.562 38.487 -0.012 0.000 1.147 46 N HN 0.088 nan 8.380 nan 0.000 0.495 47 P HA -0.013 nan 4.420 nan 0.000 0.239 47 P C 0.897 178.205 177.300 0.013 0.000 1.184 47 P CA 0.564 63.669 63.100 0.008 0.000 0.760 47 P CB 0.151 31.846 31.700 -0.007 0.000 0.884 48 G N -0.727 108.080 108.800 0.011 0.000 2.712 48 G HA2 -0.046 3.916 3.960 0.003 0.000 0.212 48 G HA3 -0.046 3.916 3.960 0.003 0.000 0.212 48 G C 0.809 175.713 174.900 0.008 0.000 1.142 48 G CA -0.064 45.041 45.100 0.009 0.000 0.789 48 G HN 0.251 nan 8.290 nan 0.000 0.535 49 N N 0.713 119.419 118.700 0.011 0.000 2.463 49 N HA 0.277 5.019 4.740 0.003 0.000 0.270 49 N C 0.556 176.076 175.510 0.016 0.000 1.205 49 N CA -0.108 52.946 53.050 0.006 0.000 0.974 49 N CB 1.402 39.889 38.487 0.001 0.000 1.197 49 N HN 0.216 nan 8.380 nan 0.000 0.504 50 S N -0.592 115.108 115.700 -0.000 0.000 2.614 50 S HA 0.014 4.485 4.470 0.003 0.000 0.265 50 S C 1.152 175.739 174.600 -0.022 0.000 1.303 50 S CA -0.426 57.769 58.200 -0.008 0.000 1.000 50 S CB 1.287 64.471 63.200 -0.028 0.000 0.935 50 S HN 0.668 nan 8.310 nan 0.000 0.551 51 Q N 0.683 120.447 119.800 -0.060 0.000 2.096 51 Q HA -0.125 4.217 4.340 0.003 0.000 0.204 51 Q C 1.763 177.602 176.000 -0.269 0.000 0.982 51 Q CA 1.945 57.602 55.803 -0.244 0.000 0.850 51 Q CB -0.460 28.041 28.738 -0.395 0.000 0.901 51 Q HN 0.694 nan 8.270 nan 0.000 0.422 52 V N 1.276 121.086 119.914 -0.172 0.000 2.252 52 V HA -0.336 3.785 4.120 0.003 0.000 0.249 52 V C 2.468 178.503 176.094 -0.099 0.000 1.056 52 V CA 2.034 64.254 62.300 -0.134 0.000 1.022 52 V CB -1.232 30.537 31.823 -0.089 0.000 0.641 52 V HN 0.589 nan 8.190 nan 0.000 0.445 53 A N -0.407 122.370 122.820 -0.071 0.000 1.908 53 A HA -0.268 4.054 4.320 0.003 0.000 0.218 53 A C 2.345 179.906 177.584 -0.038 0.000 1.181 53 A CA 2.189 54.197 52.037 -0.049 0.000 0.627 53 A CB -0.522 18.456 19.000 -0.037 0.000 0.818 53 A HN 0.517 nan 8.150 nan 0.000 0.445 54 R N -0.951 119.535 120.500 -0.023 0.000 2.066 54 R HA -0.044 4.297 4.340 0.003 0.000 0.232 54 R C 2.079 178.390 176.300 0.018 0.000 1.131 54 R CA 1.433 57.549 56.100 0.026 0.000 0.955 54 R CB -0.482 29.895 30.300 0.129 0.000 0.851 54 R HN 0.371 nan 8.270 nan 0.000 0.432 55 V N 0.782 120.667 119.914 -0.048 0.000 2.307 55 V HA -0.229 3.892 4.120 0.003 0.000 0.245 55 V C 2.347 178.419 176.094 -0.037 0.000 1.045 55 V CA 1.964 64.235 62.300 -0.049 0.000 1.024 55 V CB -0.707 31.018 31.823 -0.164 0.000 0.651 55 V HN 0.437 nan 8.190 nan 0.000 0.449 56 A N 0.018 122.807 122.820 -0.051 0.000 1.940 56 A HA -0.151 4.170 4.320 0.003 0.000 0.219 56 A C 2.415 179.980 177.584 -0.033 0.000 1.176 56 A CA 2.211 54.227 52.037 -0.034 0.000 0.631 56 A CB -0.758 18.223 19.000 -0.032 0.000 0.814 56 A HN 0.577 nan 8.150 nan 0.000 0.446 57 A N -0.543 122.252 122.820 -0.043 0.000 1.898 57 A HA 0.149 4.471 4.320 0.003 0.000 0.216 57 A C 2.433 179.970 177.584 -0.078 0.000 1.181 57 A CA 1.880 53.872 52.037 -0.075 0.000 0.620 57 A CB -1.397 17.558 19.000 -0.074 0.000 0.819 57 A HN 0.736 nan 8.150 nan 0.000 0.442 58 G N -0.226 108.553 108.800 -0.036 0.000 2.418 58 G HA2 -0.160 3.801 3.960 0.003 0.000 0.217 58 G HA3 -0.160 3.801 3.960 0.003 0.000 0.217 58 G C 1.531 176.411 174.900 -0.034 0.000 1.158 58 G CA 1.035 46.122 45.100 -0.022 0.000 0.771 58 G HN 0.429 nan 8.290 nan 0.000 0.545 59 L N -0.179 121.028 121.223 -0.027 0.000 2.141 59 L HA -0.053 4.288 4.340 0.003 0.000 0.209 59 L C 3.142 179.993 176.870 -0.031 0.000 1.094 59 L CA 0.614 55.439 54.840 -0.025 0.000 0.763 59 L CB -0.277 41.772 42.059 -0.017 0.000 0.908 59 L HN 0.171 nan 8.230 nan 0.000 0.437 60 Q N 0.105 119.880 119.800 -0.042 0.000 2.084 60 Q HA -0.152 4.189 4.340 0.003 0.000 0.202 60 Q C 2.329 178.277 176.000 -0.087 0.000 0.978 60 Q CA 1.594 57.372 55.803 -0.042 0.000 0.844 60 Q CB -0.131 28.559 28.738 -0.079 0.000 0.898 60 Q HN 0.555 nan 8.270 nan 0.000 0.426 61 I N 0.822 121.313 120.570 -0.132 0.000 2.179 61 I HA -0.262 3.910 4.170 0.003 0.000 0.242 61 I C 2.602 178.642 176.117 -0.128 0.000 1.088 61 I CA 1.041 62.254 61.300 -0.146 0.000 1.357 61 I CB -0.341 37.574 38.000 -0.142 0.000 1.051 61 I HN 0.129 nan 8.210 nan 0.000 0.409 62 K N 1.251 121.594 120.400 -0.094 0.000 2.063 62 K HA -0.191 4.131 4.320 0.003 0.000 0.208 62 K C 1.510 178.080 176.600 -0.050 0.000 1.048 62 K CA 1.616 57.855 56.287 -0.080 0.000 0.928 62 K CB -0.334 32.133 32.500 -0.055 0.000 0.713 62 K HN 0.296 nan 8.250 nan 0.000 0.442 63 N N 0.614 119.298 118.700 -0.027 0.000 2.571 63 N HA -0.024 4.718 4.740 0.003 0.000 0.189 63 N C 0.969 176.481 175.510 0.004 0.000 1.154 63 N CA 0.397 53.460 53.050 0.021 0.000 0.907 63 N CB 0.262 38.769 38.487 0.034 0.000 0.977 63 N HN 0.096 nan 8.380 nan 0.000 0.449 64 S N -0.201 115.445 115.700 -0.089 0.000 2.517 64 S HA 0.263 4.735 4.470 0.003 0.000 0.214 64 S C 1.550 176.013 174.600 -0.228 0.000 0.991 64 S CA -0.061 57.989 58.200 -0.250 0.000 0.906 64 S CB 0.620 63.734 63.200 -0.144 0.000 0.789 64 S HN 0.214 nan 8.310 nan 0.000 0.513 65 L N 0.867 122.053 121.223 -0.062 0.000 2.693 65 L HA 0.306 4.648 4.340 0.003 0.000 0.235 65 L C 0.102 177.048 176.870 0.126 0.000 1.127 65 L CA 0.276 55.112 54.840 -0.007 0.000 0.914 65 L CB 0.638 42.575 42.059 -0.203 0.000 1.193 65 L HN 0.131 nan 8.230 nan 0.000 0.502 66 T N -2.360 112.319 114.554 0.209 0.000 2.762 66 T HA 0.574 4.926 4.350 0.003 0.000 0.301 66 T C -1.037 173.758 174.700 0.159 0.000 1.299 66 T CA -0.685 61.501 62.100 0.144 0.000 1.005 66 T CB 2.382 71.273 68.868 0.039 0.000 1.377 66 T HN -0.122 nan 8.240 nan 0.000 0.504 67 S N -1.130 114.586 115.700 0.027 0.000 2.565 67 S HA 0.357 4.829 4.470 0.003 0.000 0.274 67 S C -0.241 174.335 174.600 -0.040 0.000 1.144 67 S CA -0.728 57.459 58.200 -0.022 0.000 0.849 67 S CB 1.509 64.612 63.200 -0.162 0.000 1.103 67 S HN 0.667 nan 8.310 nan 0.000 0.455 68 K N 0.685 121.064 120.400 -0.035 0.000 2.365 68 K HA 0.018 4.340 4.320 0.003 0.000 0.199 68 K C 0.076 176.649 176.600 -0.045 0.000 1.045 68 K CA 0.638 56.904 56.287 -0.035 0.000 0.962 68 K CB 0.013 32.496 32.500 -0.028 0.000 0.759 68 K HN 0.482 nan 8.250 nan 0.000 0.469 69 D N 1.032 121.393 120.400 -0.065 0.000 2.313 69 D HA 0.043 4.685 4.640 0.003 0.000 0.239 69 D C -1.664 174.586 176.300 -0.084 0.000 1.142 69 D CA -2.292 51.664 54.000 -0.073 0.000 0.847 69 D CB 1.503 42.249 40.800 -0.089 0.000 1.082 69 D HN -0.077 nan 8.370 nan 0.000 0.480 70 P HA -0.138 nan 4.420 nan 0.000 0.219 70 P C 0.544 177.810 177.300 -0.058 0.000 1.146 70 P CA 0.893 63.963 63.100 -0.049 0.000 0.808 70 P CB 0.714 32.396 31.700 -0.031 0.000 0.779 71 D N -0.341 120.017 120.400 -0.070 0.000 2.162 71 D HA -0.030 4.612 4.640 0.003 0.000 0.205 71 D C 2.184 178.412 176.300 -0.120 0.000 0.964 71 D CA 0.601 54.559 54.000 -0.070 0.000 0.847 71 D CB -0.181 40.586 40.800 -0.056 0.000 0.988 71 D HN 0.076 nan 8.370 nan 0.000 0.480 72 I N 1.607 122.063 120.570 -0.190 0.000 2.208 72 I HA -0.235 3.937 4.170 0.003 0.000 0.245 72 I C 2.424 178.255 176.117 -0.476 0.000 1.097 72 I CA 1.063 62.133 61.300 -0.383 0.000 1.363 72 I CB -0.809 36.920 38.000 -0.451 0.000 1.051 72 I HN 0.026 nan 8.210 nan 0.000 0.413 73 K N 1.322 121.556 120.400 -0.277 0.000 2.032 73 K HA -0.183 4.138 4.320 0.003 0.000 0.209 73 K C 2.236 178.817 176.600 -0.030 0.000 1.048 73 K CA 1.816 58.023 56.287 -0.132 0.000 0.927 73 K CB -0.097 32.368 32.500 -0.058 0.000 0.712 73 K HN 0.233 nan 8.250 nan 0.000 0.441 74 A N 1.023 123.824 122.820 -0.032 0.000 1.940 74 A HA -0.245 4.076 4.320 0.003 0.000 0.219 74 A C 2.020 179.633 177.584 0.048 0.000 1.176 74 A CA 1.787 53.834 52.037 0.016 0.000 0.631 74 A CB -0.561 18.442 19.000 0.004 0.000 0.814 74 A HN 0.551 nan 8.150 nan 0.000 0.446 75 Q N -1.701 118.110 119.800 0.017 0.000 2.079 75 Q HA -0.147 4.195 4.340 0.003 0.000 0.200 75 Q C 1.970 178.110 176.000 0.233 0.000 0.974 75 Q CA 1.437 57.289 55.803 0.082 0.000 0.840 75 Q CB -0.313 28.445 28.738 0.034 0.000 0.898 75 Q HN 0.758 nan 8.270 nan 0.000 0.430 76 Y N 1.583 121.917 120.300 0.057 0.000 2.224 76 Y HA -0.170 4.382 4.550 0.003 0.000 0.289 76 Y C 2.192 178.161 175.900 0.115 0.000 1.146 76 Y CA 0.985 59.131 58.100 0.076 0.000 1.182 76 Y CB -0.494 37.996 38.460 0.050 0.000 0.983 76 Y HN 0.224 nan 8.280 nan 0.000 0.524 77 Q N -0.378 119.580 119.800 0.264 0.000 2.119 77 Q HA -0.206 4.136 4.340 0.003 0.000 0.201 77 Q C 2.140 178.283 176.000 0.240 0.000 0.972 77 Q CA 1.335 57.272 55.803 0.224 0.000 0.847 77 Q CB -0.232 28.595 28.738 0.148 0.000 0.903 77 Q HN 0.586 nan 8.270 nan 0.000 0.433 78 Q N 0.343 120.253 119.800 0.182 0.000 2.079 78 Q HA -0.127 4.215 4.340 0.003 0.000 0.200 78 Q C 2.113 178.195 176.000 0.138 0.000 0.974 78 Q CA 0.874 56.759 55.803 0.137 0.000 0.840 78 Q CB -0.077 28.721 28.738 0.100 0.000 0.898 78 Q HN 0.222 nan 8.270 nan 0.000 0.430 79 R N 0.251 120.854 120.500 0.172 0.000 2.105 79 R HA -0.183 4.159 4.340 0.003 0.000 0.239 79 R C 2.039 178.426 176.300 0.145 0.000 1.135 79 R CA 1.495 57.680 56.100 0.142 0.000 0.967 79 R CB -0.297 30.099 30.300 0.160 0.000 0.861 79 R HN 0.506 nan 8.270 nan 0.000 0.442 80 W N 1.090 122.404 121.300 0.024 0.000 2.379 80 W HA -0.175 4.486 4.660 0.002 0.000 0.307 80 W C 1.316 177.832 176.519 -0.005 0.000 1.200 80 W CA 0.958 58.303 57.345 -0.000 0.000 1.297 80 W CB -0.344 29.118 29.460 0.004 0.000 1.140 80 W HN 0.127 nan 8.180 nan 0.000 0.507 81 L N 1.484 122.720 121.223 0.021 0.000 2.191 81 L HA -0.173 4.168 4.340 0.003 0.000 0.212 81 L C 2.708 179.485 176.870 -0.154 0.000 1.103 81 L CA 1.320 56.100 54.840 -0.099 0.000 0.769 81 L CB -1.008 41.087 42.059 0.059 0.000 0.908 81 L HN -0.007 nan 8.230 nan 0.000 0.438 82 A N -0.509 122.250 122.820 -0.102 0.000 2.169 82 A HA 0.076 4.397 4.320 0.003 0.000 0.212 82 A C 1.095 178.589 177.584 -0.149 0.000 1.153 82 A CA 0.121 52.103 52.037 -0.091 0.000 0.756 82 A CB -0.229 18.751 19.000 -0.034 0.000 0.813 82 A HN 0.135 nan 8.150 nan 0.000 0.471 83 I N 1.082 121.499 120.570 -0.256 0.000 2.754 83 I HA 0.006 4.178 4.170 0.003 0.000 0.285 83 I C 0.461 176.402 176.117 -0.292 0.000 1.166 83 I CA -0.599 60.524 61.300 -0.295 0.000 1.417 83 I CB -0.119 37.597 38.000 -0.473 0.000 1.382 83 I HN 0.227 nan 8.210 nan 0.000 0.588 84 D N 4.478 124.752 120.400 -0.211 0.000 2.581 84 D HA -0.041 4.601 4.640 0.003 0.000 0.238 84 D C 1.057 177.225 176.300 -0.221 0.000 1.145 84 D CA 0.281 54.178 54.000 -0.171 0.000 0.866 84 D CB 1.021 41.749 40.800 -0.120 0.000 1.151 84 D HN 0.654 nan 8.370 nan 0.000 0.500 85 A N 4.768 127.472 122.820 -0.192 0.000 2.042 85 A HA -0.270 4.052 4.320 0.003 0.000 0.222 85 A C 1.949 179.433 177.584 -0.167 0.000 1.167 85 A CA 1.724 53.644 52.037 -0.195 0.000 0.649 85 A CB -0.417 18.504 19.000 -0.130 0.000 0.809 85 A HN 0.810 nan 8.150 nan 0.000 0.457 86 N N -0.508 118.115 118.700 -0.128 0.000 2.250 86 N HA 0.056 4.797 4.740 0.003 0.000 0.181 86 N C 1.987 177.441 175.510 -0.095 0.000 1.017 86 N CA 0.792 53.785 53.050 -0.095 0.000 0.866 86 N CB -0.196 38.252 38.487 -0.065 0.000 0.985 86 N HN 0.492 nan 8.380 nan 0.000 0.429 87 A N 1.617 124.369 122.820 -0.114 0.000 1.898 87 A HA -0.075 4.247 4.320 0.003 0.000 0.216 87 A C 2.097 179.611 177.584 -0.118 0.000 1.181 87 A CA 1.079 53.063 52.037 -0.089 0.000 0.620 87 A CB -0.351 18.589 19.000 -0.099 0.000 0.819 87 A HN 0.165 nan 8.150 nan 0.000 0.442 88 R N -0.874 119.460 120.500 -0.275 0.000 2.096 88 R HA -0.117 4.224 4.340 0.003 0.000 0.235 88 R C 2.467 178.693 176.300 -0.123 0.000 1.127 88 R CA 1.590 57.476 56.100 -0.356 0.000 0.968 88 R CB -0.305 29.547 30.300 -0.748 0.000 0.861 88 R HN 0.587 nan 8.270 nan 0.000 0.440 89 R N 1.088 121.498 120.500 -0.150 0.000 2.120 89 R HA -0.153 4.188 4.340 0.003 0.000 0.234 89 R C 1.659 177.903 176.300 -0.092 0.000 1.123 89 R CA 1.521 57.540 56.100 -0.135 0.000 0.975 89 R CB 0.037 30.272 30.300 -0.109 0.000 0.866 89 R HN 0.303 nan 8.270 nan 0.000 0.446 90 E N -0.420 119.756 120.200 -0.041 0.000 2.047 90 E HA -0.145 4.206 4.350 0.003 0.000 0.191 90 E C 1.954 178.632 176.600 0.129 0.000 0.987 90 E CA 1.485 57.898 56.400 0.020 0.000 0.799 90 E CB 0.134 29.898 29.700 0.107 0.000 0.752 90 E HN 0.159 nan 8.360 nan 0.000 0.449 91 V N 1.535 121.544 119.914 0.160 0.000 2.295 91 V HA -0.276 3.846 4.120 0.003 0.000 0.246 91 V C 2.157 178.319 176.094 0.113 0.000 1.049 91 V CA 1.764 64.190 62.300 0.210 0.000 1.024 91 V CB -0.376 31.641 31.823 0.322 0.000 0.648 91 V HN 0.196 nan 8.190 nan 0.000 0.447 92 K N 0.117 120.508 120.400 -0.015 0.000 2.057 92 K HA -0.231 4.091 4.320 0.003 0.000 0.207 92 K C 2.090 178.692 176.600 0.004 0.000 1.049 92 K CA 1.858 58.025 56.287 -0.200 0.000 0.931 92 K CB -0.324 31.762 32.500 -0.691 0.000 0.714 92 K HN 0.479 nan 8.250 nan 0.000 0.440 93 N N 0.288 118.961 118.700 -0.045 0.000 2.039 93 N HA -0.193 4.549 4.740 0.003 0.000 0.193 93 N C 1.643 177.117 175.510 -0.060 0.000 1.044 93 N CA 1.544 54.549 53.050 -0.074 0.000 0.847 93 N CB -0.242 38.103 38.487 -0.236 0.000 1.030 93 N HN 0.119 nan 8.380 nan 0.000 0.422 94 Y N 0.055 120.381 120.300 0.042 0.000 2.207 94 Y HA -0.128 4.425 4.550 0.003 0.000 0.287 94 Y C 2.400 178.328 175.900 0.047 0.000 1.156 94 Y CA 0.944 59.066 58.100 0.036 0.000 1.182 94 Y CB -0.693 37.779 38.460 0.020 0.000 0.979 94 Y HN -0.028 nan 8.280 nan 0.000 0.521 95 V N -0.239 119.798 119.914 0.205 0.000 2.307 95 V HA -0.287 3.835 4.120 0.003 0.000 0.245 95 V C 2.352 178.544 176.094 0.163 0.000 1.045 95 V CA 1.632 64.031 62.300 0.165 0.000 1.024 95 V CB -0.724 31.191 31.823 0.155 0.000 0.651 95 V HN 0.374 nan 8.190 nan 0.000 0.449 96 L N -0.500 120.844 121.223 0.203 0.000 2.093 96 L HA -0.215 4.126 4.340 0.003 0.000 0.208 96 L C 2.660 179.585 176.870 0.092 0.000 1.085 96 L CA 1.531 56.470 54.840 0.166 0.000 0.755 96 L CB -0.521 41.671 42.059 0.220 0.000 0.904 96 L HN 0.420 nan 8.230 nan 0.000 0.435 97 Q N -1.266 118.586 119.800 0.087 0.000 2.291 97 Q HA -0.190 4.151 4.340 0.003 0.000 0.205 97 Q C 2.068 178.102 176.000 0.058 0.000 0.970 97 Q CA 1.748 57.587 55.803 0.060 0.000 0.876 97 Q CB -0.155 28.616 28.738 0.055 0.000 0.935 97 Q HN 0.452 nan 8.270 nan 0.000 0.455 98 T N -0.494 114.102 114.554 0.068 0.000 3.067 98 T HA 0.051 4.403 4.350 0.003 0.000 0.261 98 T C 0.673 175.371 174.700 -0.004 0.000 1.110 98 T CA -0.175 61.947 62.100 0.036 0.000 1.113 98 T CB -0.070 68.827 68.868 0.048 0.000 0.917 98 T HN 0.072 nan 8.240 nan 0.000 0.499 99 L N 1.887 123.114 121.223 0.007 0.000 2.562 99 L HA 0.355 4.697 4.340 0.003 0.000 0.271 99 L C 1.605 178.462 176.870 -0.023 0.000 1.167 99 L CA 0.793 55.623 54.840 -0.016 0.000 0.917 99 L CB 0.081 42.134 42.059 -0.010 0.000 1.187 99 L HN 0.546 nan 8.230 nan 0.000 0.482 100 G N 1.888 110.664 108.800 -0.042 0.000 2.179 100 G HA2 -0.273 3.689 3.960 0.003 0.000 0.220 100 G HA3 -0.273 3.689 3.960 0.003 0.000 0.220 100 G C 0.595 175.460 174.900 -0.059 0.000 0.990 100 G CA 0.309 45.400 45.100 -0.016 0.000 0.646 100 G HN 0.691 nan 8.290 nan 0.000 0.517 101 T N -2.204 112.280 114.554 -0.116 0.000 3.084 101 T HA 0.489 4.841 4.350 0.003 0.000 0.270 101 T C 0.261 174.809 174.700 -0.253 0.000 1.008 101 T CA 0.414 62.432 62.100 -0.136 0.000 0.900 101 T CB 0.615 69.445 68.868 -0.063 0.000 1.084 101 T HN 0.376 nan 8.240 nan 0.000 0.538 102 E N 2.072 122.019 120.200 -0.422 0.000 2.134 102 E HA 0.311 4.662 4.350 0.003 0.000 0.278 102 E C 0.731 176.770 176.600 -0.934 0.000 0.959 102 E CA -0.394 55.568 56.400 -0.731 0.000 0.783 102 E CB 1.546 30.652 29.700 -0.990 0.000 1.095 102 E HN 0.388 nan 8.360 nan 0.000 0.399 103 T N -0.194 113.955 114.554 -0.675 0.000 3.160 103 T HA -0.049 4.303 4.350 0.003 0.000 0.257 103 T C 0.461 175.046 174.700 -0.192 0.000 1.147 103 T CA 0.214 62.006 62.100 -0.514 0.000 1.064 103 T CB -0.457 68.334 68.868 -0.127 0.000 0.949 103 T HN 0.404 nan 8.240 nan 0.000 0.526 104 Y N -0.704 119.538 120.300 -0.098 0.000 2.376 104 Y HA 0.762 5.314 4.550 0.003 0.000 0.325 104 Y C 1.376 177.302 175.900 0.044 0.000 1.199 104 Y CA -2.069 56.032 58.100 0.001 0.000 1.206 104 Y CB 0.732 39.188 38.460 -0.007 0.000 1.229 104 Y HN -0.396 nan 8.280 nan 0.000 0.480 105 R N 1.290 121.922 120.500 0.220 0.000 2.127 105 R HA 0.005 4.346 4.340 0.003 0.000 0.219 105 R C -1.717 174.671 176.300 0.147 0.000 1.133 105 R CA 0.634 56.826 56.100 0.152 0.000 0.890 105 R CB -2.175 28.196 30.300 0.119 0.000 0.804 105 R HN 0.641 nan 8.270 nan 0.000 0.443 106 P HA 0.032 nan 4.420 nan 0.000 0.271 106 P C -0.438 177.004 177.300 0.237 0.000 1.233 106 P CA 0.304 63.507 63.100 0.172 0.000 0.764 106 P CB 0.676 32.470 31.700 0.156 0.000 0.825 107 S N 1.873 117.670 115.700 0.160 0.000 2.632 107 S HA 0.271 4.742 4.470 0.003 0.000 0.271 107 S C 1.300 176.026 174.600 0.211 0.000 1.260 107 S CA -0.086 58.201 58.200 0.146 0.000 1.010 107 S CB 0.850 64.034 63.200 -0.027 0.000 0.965 107 S HN 0.461 nan 8.310 nan 0.000 0.534 108 S N 0.924 116.766 115.700 0.238 0.000 2.492 108 S HA 0.206 4.678 4.470 0.003 0.000 0.218 108 S C 1.878 176.548 174.600 0.118 0.000 1.016 108 S CA 0.171 58.470 58.200 0.166 0.000 0.916 108 S CB -0.781 62.508 63.200 0.148 0.000 0.791 108 S HN 1.045 nan 8.310 nan 0.000 0.513 109 A N 2.788 125.667 122.820 0.099 0.000 1.972 109 A HA -0.035 4.287 4.320 0.003 0.000 0.219 109 A C 2.440 180.080 177.584 0.093 0.000 1.169 109 A CA 1.839 53.923 52.037 0.078 0.000 0.635 109 A CB -1.237 17.796 19.000 0.056 0.000 0.810 109 A HN 0.763 nan 8.150 nan 0.000 0.446 110 S N -0.136 115.628 115.700 0.107 0.000 2.370 110 S HA -0.288 4.184 4.470 0.003 0.000 0.226 110 S C 1.935 176.689 174.600 0.258 0.000 1.033 110 S CA 1.512 59.790 58.200 0.130 0.000 1.011 110 S CB -0.613 62.630 63.200 0.071 0.000 0.852 110 S HN 0.698 nan 8.310 nan 0.000 0.457 111 Q N 0.100 120.052 119.800 0.253 0.000 2.119 111 Q HA -0.050 4.291 4.340 0.003 0.000 0.201 111 Q C 2.541 178.578 176.000 0.063 0.000 0.972 111 Q CA 1.567 57.449 55.803 0.131 0.000 0.847 111 Q CB -0.533 28.208 28.738 0.004 0.000 0.903 111 Q HN 0.680 nan 8.270 nan 0.000 0.433 112 C N -0.221 119.111 119.300 0.053 0.000 2.453 112 C HA -0.088 4.374 4.460 0.003 0.000 0.277 112 C C 2.716 177.738 174.990 0.054 0.000 1.262 112 C CA 0.322 59.345 59.018 0.008 0.000 1.718 112 C CB -0.870 26.875 27.740 0.008 0.000 2.031 112 C HN 0.317 nan 8.230 nan 0.000 0.480 113 V N 1.518 121.508 119.914 0.126 0.000 2.324 113 V HA -0.273 3.849 4.120 0.003 0.000 0.250 113 V C 2.695 178.877 176.094 0.146 0.000 1.060 113 V CA 2.416 64.834 62.300 0.197 0.000 1.042 113 V CB -1.216 30.658 31.823 0.086 0.000 0.650 113 V HN 0.629 nan 8.190 nan 0.000 0.450 114 A N 0.111 122.989 122.820 0.097 0.000 1.929 114 A HA -0.007 4.314 4.320 0.003 0.000 0.216 114 A C 2.403 180.007 177.584 0.032 0.000 1.176 114 A CA 1.702 53.781 52.037 0.069 0.000 0.628 114 A CB -1.087 17.987 19.000 0.124 0.000 0.816 114 A HN 0.526 nan 8.150 nan 0.000 0.444 115 G N 0.216 109.013 108.800 -0.005 0.000 2.421 115 G HA2 -0.190 3.772 3.960 0.003 0.000 0.216 115 G HA3 -0.190 3.772 3.960 0.003 0.000 0.216 115 G C 1.512 176.334 174.900 -0.129 0.000 1.171 115 G CA 1.181 46.237 45.100 -0.073 0.000 0.775 115 G HN 0.470 nan 8.290 nan 0.000 0.543 116 I N 1.336 121.814 120.570 -0.155 0.000 2.315 116 I HA -0.104 4.068 4.170 0.003 0.000 0.248 116 I C 3.270 179.456 176.117 0.115 0.000 1.117 116 I CA 0.800 61.960 61.300 -0.234 0.000 1.404 116 I CB -0.190 37.656 38.000 -0.257 0.000 1.071 116 I HN 0.237 nan 8.210 nan 0.000 0.419 117 A N 0.063 123.034 122.820 0.251 0.000 1.902 117 A HA -0.243 4.079 4.320 0.003 0.000 0.217 117 A C 2.399 180.058 177.584 0.124 0.000 1.181 117 A CA 1.864 54.041 52.037 0.234 0.000 0.623 117 A CB -1.253 17.790 19.000 0.070 0.000 0.818 117 A HN 0.549 nan 8.150 nan 0.000 0.443 118 C N -1.174 118.163 119.300 0.063 0.000 2.419 118 C HA 0.147 4.609 4.460 0.003 0.000 0.283 118 C C 3.144 178.176 174.990 0.071 0.000 1.373 118 C CA 0.729 59.774 59.018 0.045 0.000 1.781 118 C CB -1.274 26.478 27.740 0.019 0.000 1.886 118 C HN 0.695 nan 8.230 nan 0.000 0.520 119 A N 0.194 123.064 122.820 0.084 0.000 1.943 119 A HA -0.014 4.307 4.320 0.003 0.000 0.213 119 A C 2.046 179.745 177.584 0.192 0.000 1.181 119 A CA 0.778 52.896 52.037 0.134 0.000 0.653 119 A CB -0.284 18.801 19.000 0.142 0.000 0.833 119 A HN 0.630 nan 8.150 nan 0.000 0.451 120 E N -0.273 120.065 120.200 0.230 0.000 2.190 120 E HA 0.061 4.413 4.350 0.003 0.000 0.191 120 E C 1.772 178.495 176.600 0.206 0.000 0.978 120 E CA 0.425 56.977 56.400 0.253 0.000 0.839 120 E CB -0.095 29.808 29.700 0.337 0.000 0.787 120 E HN 0.619 nan 8.360 nan 0.000 0.473 121 I N 2.337 123.018 120.570 0.185 0.000 2.179 121 I HA -0.164 4.008 4.170 0.003 0.000 0.242 121 I C -0.631 175.549 176.117 0.104 0.000 1.088 121 I CA 0.942 62.322 61.300 0.134 0.000 1.357 121 I CB -1.179 36.873 38.000 0.088 0.000 1.051 121 I HN 0.043 nan 8.210 nan 0.000 0.409 122 P HA -0.067 nan 4.420 nan 0.000 0.231 122 P C 1.132 178.479 177.300 0.079 0.000 1.158 122 P CA 1.230 64.379 63.100 0.081 0.000 0.763 122 P CB 0.113 31.857 31.700 0.074 0.000 0.805 123 V N -0.638 119.331 119.914 0.092 0.000 3.380 123 V HA 0.124 4.245 4.120 0.003 0.000 0.307 123 V C 0.585 176.729 176.094 0.084 0.000 1.434 123 V CA 0.108 62.457 62.300 0.082 0.000 1.075 123 V CB -1.398 30.476 31.823 0.085 0.000 0.954 123 V HN 0.218 nan 8.190 nan 0.000 0.444 124 N N 1.672 120.430 118.700 0.096 0.000 2.671 124 N HA -0.264 4.477 4.740 0.003 0.000 0.261 124 N C 0.510 176.088 175.510 0.114 0.000 1.053 124 N CA 1.087 54.196 53.050 0.099 0.000 0.732 124 N CB -0.936 37.595 38.487 0.074 0.000 0.887 124 N HN 0.602 nan 8.380 nan 0.000 0.546 125 Q N -0.894 119.000 119.800 0.157 0.000 2.185 125 Q HA 0.100 4.442 4.340 0.003 0.000 0.234 125 Q C -0.439 175.705 176.000 0.239 0.000 0.819 125 Q CA -0.077 55.820 55.803 0.156 0.000 0.961 125 Q CB 0.489 29.300 28.738 0.122 0.000 1.140 125 Q HN 0.584 nan 8.270 nan 0.000 0.492 126 W N 2.948 124.285 121.300 0.063 0.000 1.602 126 W HA 0.329 4.990 4.660 0.002 0.000 0.294 126 W C -2.284 174.258 176.519 0.038 0.000 0.838 126 W CA -2.414 54.965 57.345 0.057 0.000 2.320 126 W CB 0.731 30.233 29.460 0.070 0.000 2.318 126 W HN -0.034 nan 8.180 nan 0.000 0.467 127 P HA -0.199 nan 4.420 nan 0.000 0.223 127 P C 0.400 177.732 177.300 0.053 0.000 1.144 127 P CA 1.716 64.881 63.100 0.109 0.000 0.783 127 P CB 0.447 32.206 31.700 0.098 0.000 0.771 128 E N -1.020 119.241 120.200 0.101 0.000 2.442 128 E HA 0.016 4.368 4.350 0.003 0.000 0.195 128 E C 1.819 178.314 176.600 -0.175 0.000 1.030 128 E CA -0.142 56.274 56.400 0.026 0.000 0.869 128 E CB -0.691 29.093 29.700 0.139 0.000 0.857 128 E HN 0.113 nan 8.360 nan 0.000 0.505 129 L N 1.023 121.952 121.223 -0.489 0.000 1.932 129 L HA -0.194 4.147 4.340 0.003 0.000 0.217 129 L C 1.811 178.422 176.870 -0.433 0.000 1.077 129 L CA 1.728 56.065 54.840 -0.838 0.000 0.765 129 L CB -0.494 40.796 42.059 -1.281 0.000 0.888 129 L HN 0.107 nan 8.230 nan 0.000 0.433 130 I N -0.027 120.362 120.570 -0.302 0.000 2.194 130 I HA -0.229 3.942 4.170 0.003 0.000 0.246 130 I C -0.031 176.007 176.117 -0.132 0.000 1.093 130 I CA 1.780 62.969 61.300 -0.186 0.000 1.355 130 I CB -2.894 35.037 38.000 -0.114 0.000 1.046 130 I HN 0.300 nan 8.210 nan 0.000 0.413 131 P HA -0.163 nan 4.420 nan 0.000 0.217 131 P C 1.819 179.075 177.300 -0.073 0.000 1.150 131 P CA 1.230 64.289 63.100 -0.068 0.000 0.832 131 P CB 0.025 31.699 31.700 -0.045 0.000 0.787 132 Q N -0.134 119.608 119.800 -0.097 0.000 2.079 132 Q HA -0.115 4.226 4.340 0.003 0.000 0.200 132 Q C 1.980 177.926 176.000 -0.090 0.000 0.974 132 Q CA 1.584 57.339 55.803 -0.081 0.000 0.840 132 Q CB -1.207 27.482 28.738 -0.083 0.000 0.898 132 Q HN 0.157 nan 8.270 nan 0.000 0.430 133 L N -0.798 120.348 121.223 -0.129 0.000 2.056 133 L HA -0.143 4.199 4.340 0.003 0.000 0.207 133 L C 2.291 179.108 176.870 -0.088 0.000 1.078 133 L CA 0.906 55.673 54.840 -0.120 0.000 0.749 133 L CB -0.599 41.365 42.059 -0.159 0.000 0.901 133 L HN 0.123 nan 8.230 nan 0.000 0.433 134 V N 0.306 120.172 119.914 -0.080 0.000 2.343 134 V HA -0.280 3.842 4.120 0.003 0.000 0.247 134 V C 2.757 178.824 176.094 -0.046 0.000 1.051 134 V CA 1.849 64.115 62.300 -0.057 0.000 1.036 134 V CB -0.812 30.983 31.823 -0.046 0.000 0.654 134 V HN 0.480 nan 8.190 nan 0.000 0.451 135 A N -0.111 122.682 122.820 -0.044 0.000 1.969 135 A HA -0.220 4.101 4.320 0.003 0.000 0.218 135 A C 2.039 179.603 177.584 -0.033 0.000 1.169 135 A CA 1.913 53.930 52.037 -0.033 0.000 0.635 135 A CB -0.786 18.197 19.000 -0.028 0.000 0.810 135 A HN 0.687 nan 8.150 nan 0.000 0.445 136 N N -0.295 118.381 118.700 -0.041 0.000 2.223 136 N HA -0.112 4.630 4.740 0.003 0.000 0.185 136 N C 1.475 176.962 175.510 -0.039 0.000 1.016 136 N CA 1.284 54.311 53.050 -0.038 0.000 0.863 136 N CB -0.087 38.372 38.487 -0.046 0.000 0.983 136 N HN 0.319 nan 8.380 nan 0.000 0.429 137 V N 0.618 120.505 119.914 -0.045 0.000 2.446 137 V HA -0.123 3.999 4.120 0.003 0.000 0.244 137 V C 2.544 178.617 176.094 -0.036 0.000 1.039 137 V CA 1.907 64.180 62.300 -0.045 0.000 1.045 137 V CB -0.443 31.348 31.823 -0.053 0.000 0.681 137 V HN 0.507 nan 8.190 nan 0.000 0.459 138 T N -2.143 112.392 114.554 -0.031 0.000 3.014 138 T HA -0.026 4.325 4.350 0.003 0.000 0.263 138 T C 1.112 175.800 174.700 -0.019 0.000 1.078 138 T CA 0.215 62.301 62.100 -0.023 0.000 1.135 138 T CB -0.482 68.375 68.868 -0.019 0.000 0.895 138 T HN 0.344 nan 8.240 nan 0.000 0.480 139 N N 3.375 122.063 118.700 -0.020 0.000 2.365 139 N HA 0.036 4.778 4.740 0.003 0.000 0.265 139 N C -1.890 173.610 175.510 -0.016 0.000 1.288 139 N CA -1.339 51.701 53.050 -0.016 0.000 0.869 139 N CB 1.409 39.886 38.487 -0.016 0.000 1.071 139 N HN 0.087 nan 8.380 nan 0.000 0.480 140 P HA -0.035 nan 4.420 nan 0.000 0.220 140 P C 0.341 177.632 177.300 -0.014 0.000 1.148 140 P CA 1.045 64.137 63.100 -0.013 0.000 0.803 140 P CB 0.300 31.993 31.700 -0.010 0.000 0.782 141 N N -1.334 117.359 118.700 -0.012 0.000 2.336 141 N HA 0.050 4.792 4.740 0.003 0.000 0.189 141 N C 0.112 175.615 175.510 -0.012 0.000 1.113 141 N CA 0.340 53.384 53.050 -0.011 0.000 0.858 141 N CB -0.109 38.374 38.487 -0.008 0.000 0.970 141 N HN 0.065 nan 8.380 nan 0.000 0.471 142 S N 1.124 116.815 115.700 -0.015 0.000 2.549 142 S HA 0.060 4.532 4.470 0.003 0.000 0.286 142 S C 1.070 175.659 174.600 -0.018 0.000 1.314 142 S CA -0.263 57.928 58.200 -0.015 0.000 1.062 142 S CB 0.801 63.988 63.200 -0.021 0.000 0.865 142 S HN 0.390 nan 8.310 nan 0.000 0.498 143 T N 0.153 114.700 114.554 -0.011 0.000 2.726 143 T HA 0.200 4.551 4.350 0.003 0.000 0.294 143 T C 1.218 175.895 174.700 -0.038 0.000 1.013 143 T CA -0.575 61.516 62.100 -0.016 0.000 0.996 143 T CB 0.538 69.415 68.868 0.013 0.000 1.016 143 T HN 0.694 nan 8.240 nan 0.000 0.529 144 E N -0.242 119.907 120.200 -0.085 0.000 2.072 144 E HA -0.227 4.125 4.350 0.003 0.000 0.191 144 E C 1.752 178.276 176.600 -0.128 0.000 0.985 144 E CA 1.087 57.407 56.400 -0.133 0.000 0.801 144 E CB -0.207 29.367 29.700 -0.209 0.000 0.750 144 E HN 0.742 nan 8.360 nan 0.000 0.452 145 H N -0.031 119.008 119.070 -0.052 0.000 2.387 145 H HA -0.118 4.439 4.556 0.003 0.000 0.299 145 H C 2.096 177.382 175.328 -0.071 0.000 1.090 145 H CA 1.640 57.647 56.048 -0.069 0.000 1.332 145 H CB -0.229 29.485 29.762 -0.081 0.000 1.386 145 H HN 0.265 nan 8.280 nan 0.000 0.516 146 M N 1.396 121.034 119.600 0.062 0.000 2.086 146 M HA -0.125 4.356 4.480 0.003 0.000 0.261 146 M C 1.928 178.218 176.300 -0.017 0.000 1.067 146 M CA 1.700 57.006 55.300 0.011 0.000 1.116 146 M CB -0.102 32.498 32.600 0.002 0.000 1.348 146 M HN -0.038 nan 8.290 nan 0.000 0.407 147 K N -0.271 120.112 120.400 -0.028 0.000 2.025 147 K HA -0.142 4.180 4.320 0.003 0.000 0.207 147 K C 2.053 178.620 176.600 -0.055 0.000 1.049 147 K CA 1.822 58.082 56.287 -0.046 0.000 0.933 147 K CB -0.326 32.144 32.500 -0.051 0.000 0.714 147 K HN 0.501 nan 8.250 nan 0.000 0.438 148 E N 0.602 120.774 120.200 -0.046 0.000 2.023 148 E HA -0.179 4.173 4.350 0.003 0.000 0.196 148 E C 2.229 178.790 176.600 -0.065 0.000 1.003 148 E CA 1.454 57.825 56.400 -0.049 0.000 0.809 148 E CB -0.085 29.604 29.700 -0.019 0.000 0.755 148 E HN 0.161 nan 8.360 nan 0.000 0.449 149 S N 0.362 116.036 115.700 -0.043 0.000 2.380 149 S HA -0.261 4.211 4.470 0.003 0.000 0.229 149 S C 2.325 176.866 174.600 -0.098 0.000 1.050 149 S CA 2.186 60.350 58.200 -0.061 0.000 1.100 149 S CB -0.764 62.409 63.200 -0.045 0.000 0.984 149 S HN 0.568 nan 8.310 nan 0.000 0.434 150 T N 0.888 115.388 114.554 -0.089 0.000 2.904 150 T HA 0.105 4.457 4.350 0.003 0.000 0.267 150 T C 1.745 176.357 174.700 -0.147 0.000 1.059 150 T CA 0.725 62.759 62.100 -0.111 0.000 1.137 150 T CB -0.488 68.326 68.868 -0.090 0.000 0.879 150 T HN 0.283 nan 8.240 nan 0.000 0.467 151 L N 0.338 121.478 121.223 -0.138 0.000 2.046 151 L HA -0.027 4.314 4.340 0.003 0.000 0.208 151 L C 3.024 179.750 176.870 -0.241 0.000 1.077 151 L CA 1.773 56.522 54.840 -0.152 0.000 0.747 151 L CB -0.514 41.475 42.059 -0.116 0.000 0.896 151 L HN 0.370 nan 8.230 nan 0.000 0.432 152 E N 0.034 120.052 120.200 -0.304 0.000 2.058 152 E HA -0.265 4.087 4.350 0.003 0.000 0.194 152 E C 2.295 178.362 176.600 -0.888 0.000 0.997 152 E CA 1.322 57.359 56.400 -0.605 0.000 0.801 152 E CB -0.207 29.192 29.700 -0.501 0.000 0.746 152 E HN 0.510 nan 8.360 nan 0.000 0.450 153 A N 1.095 123.624 122.820 -0.484 0.000 1.883 153 A HA -0.205 4.116 4.320 0.003 0.000 0.217 153 A C 2.191 179.644 177.584 -0.219 0.000 1.186 153 A CA 1.307 53.176 52.037 -0.281 0.000 0.624 153 A CB -0.682 18.232 19.000 -0.143 0.000 0.822 153 A HN 0.168 nan 8.150 nan 0.000 0.444 154 I N -0.396 120.045 120.570 -0.214 0.000 2.179 154 I HA -0.221 3.950 4.170 0.003 0.000 0.242 154 I C 2.721 178.743 176.117 -0.158 0.000 1.088 154 I CA 1.202 62.400 61.300 -0.170 0.000 1.357 154 I CB -0.691 37.225 38.000 -0.140 0.000 1.051 154 I HN 0.411 nan 8.210 nan 0.000 0.409 155 G N 0.120 108.810 108.800 -0.185 0.000 2.418 155 G HA2 -0.253 3.709 3.960 0.003 0.000 0.217 155 G HA3 -0.253 3.709 3.960 0.003 0.000 0.217 155 G C 1.460 176.369 174.900 0.015 0.000 1.158 155 G CA 0.593 45.631 45.100 -0.103 0.000 0.771 155 G HN 0.221 nan 8.290 nan 0.000 0.545 156 Y N 0.765 121.027 120.300 -0.063 0.000 2.181 156 Y HA 0.012 4.564 4.550 0.003 0.000 0.288 156 Y C 2.778 178.624 175.900 -0.090 0.000 1.146 156 Y CA -0.140 57.924 58.100 -0.060 0.000 1.164 156 Y CB -0.906 37.527 38.460 -0.046 0.000 0.982 156 Y HN 0.145 nan 8.280 nan 0.000 0.515 157 I N -1.005 119.584 120.570 0.032 0.000 2.127 157 I HA -0.377 3.795 4.170 0.003 0.000 0.241 157 I C 2.352 178.363 176.117 -0.177 0.000 1.075 157 I CA 1.520 62.772 61.300 -0.080 0.000 1.334 157 I CB -0.640 37.271 38.000 -0.148 0.000 1.040 157 I HN 0.199 nan 8.210 nan 0.000 0.405 158 C N -0.061 119.080 119.300 -0.265 0.000 2.422 158 C HA -0.176 4.286 4.460 0.003 0.000 0.279 158 C C 2.820 177.730 174.990 -0.134 0.000 1.305 158 C CA 0.948 59.720 59.018 -0.411 0.000 1.757 158 C CB -1.164 26.358 27.740 -0.364 0.000 1.962 158 C HN 0.566 nan 8.230 nan 0.000 0.499 159 Q N 0.606 120.388 119.800 -0.030 0.000 2.096 159 Q HA -0.140 4.202 4.340 0.003 0.000 0.197 159 Q C 1.204 177.207 176.000 0.006 0.000 0.964 159 Q CA 1.541 57.358 55.803 0.022 0.000 0.838 159 Q CB -0.002 28.773 28.738 0.061 0.000 0.906 159 Q HN 0.563 nan 8.270 nan 0.000 0.444 160 D N 0.211 120.606 120.400 -0.008 0.000 2.305 160 D HA 0.099 4.740 4.640 0.003 0.000 0.206 160 D C 0.658 176.950 176.300 -0.013 0.000 0.974 160 D CA 0.180 54.172 54.000 -0.013 0.000 0.871 160 D CB 0.461 41.251 40.800 -0.018 0.000 0.947 160 D HN 0.281 nan 8.370 nan 0.000 0.516 161 I N 0.774 121.324 120.570 -0.033 0.000 3.021 161 I HA 0.021 4.193 4.170 0.003 0.000 0.303 161 I C 0.044 176.171 176.117 0.018 0.000 1.044 161 I CA -0.648 60.639 61.300 -0.021 0.000 1.266 161 I CB 1.112 39.074 38.000 -0.063 0.000 1.447 161 I HN -0.246 nan 8.210 nan 0.000 0.593 162 D N 5.648 126.073 120.400 0.040 0.000 2.348 162 D HA 0.131 4.772 4.640 0.003 0.000 0.253 162 D C -1.608 174.764 176.300 0.120 0.000 1.161 162 D CA -2.178 51.864 54.000 0.070 0.000 0.876 162 D CB 1.351 42.188 40.800 0.061 0.000 1.160 162 D HN 0.221 nan 8.370 nan 0.000 0.459 163 P HA -0.175 nan 4.420 nan 0.000 0.216 163 P C 0.469 177.898 177.300 0.215 0.000 1.150 163 P CA 1.170 64.429 63.100 0.266 0.000 0.843 163 P CB 0.323 32.137 31.700 0.191 0.000 0.787 164 E N -1.121 119.159 120.200 0.133 0.000 2.494 164 E HA -0.066 4.286 4.350 0.003 0.000 0.193 164 E C 1.924 178.589 176.600 0.108 0.000 1.074 164 E CA 0.011 56.472 56.400 0.102 0.000 0.867 164 E CB -0.083 29.659 29.700 0.069 0.000 0.924 164 E HN 0.120 nan 8.360 nan 0.000 0.502 165 Q N -0.163 119.715 119.800 0.130 0.000 2.302 165 Q HA 0.064 4.405 4.340 0.003 0.000 0.202 165 Q C 0.934 177.007 176.000 0.121 0.000 0.936 165 Q CA 0.651 56.518 55.803 0.107 0.000 0.886 165 Q CB 0.464 29.253 28.738 0.085 0.000 0.986 165 Q HN 0.175 nan 8.270 nan 0.000 0.487 166 L N -0.168 121.173 121.223 0.198 0.000 3.184 166 L HA 0.266 4.608 4.340 0.003 0.000 0.283 166 L C 0.735 177.784 176.870 0.299 0.000 1.218 166 L CA 0.278 55.247 54.840 0.216 0.000 1.028 166 L CB 0.474 42.617 42.059 0.141 0.000 1.400 166 L HN -0.040 nan 8.230 nan 0.000 0.591 167 Q N 0.528 120.457 119.800 0.214 0.000 2.248 167 Q HA -0.203 4.139 4.340 0.003 0.000 0.208 167 Q C 1.565 177.594 176.000 0.048 0.000 0.984 167 Q CA 1.865 57.712 55.803 0.073 0.000 0.875 167 Q CB -0.258 28.489 28.738 0.016 0.000 0.910 167 Q HN 0.711 nan 8.270 nan 0.000 0.433 168 D N -0.871 119.569 120.400 0.066 0.000 2.350 168 D HA -0.155 4.487 4.640 0.003 0.000 0.216 168 D C 0.450 176.778 176.300 0.047 0.000 0.968 168 D CA 0.775 54.801 54.000 0.043 0.000 0.894 168 D CB 0.042 40.867 40.800 0.042 0.000 0.909 168 D HN 0.245 nan 8.370 nan 0.000 0.520 169 K N 0.385 120.835 120.400 0.083 0.000 2.506 169 K HA 0.111 4.433 4.320 0.003 0.000 0.204 169 K C 1.608 178.281 176.600 0.121 0.000 1.045 169 K CA 0.043 56.377 56.287 0.079 0.000 1.074 169 K CB 0.987 33.526 32.500 0.065 0.000 0.842 169 K HN 0.047 nan 8.250 nan 0.000 0.514 170 S N 0.419 116.189 115.700 0.116 0.000 2.419 170 S HA -0.157 4.315 4.470 0.003 0.000 0.233 170 S C 1.447 176.072 174.600 0.040 0.000 1.016 170 S CA 1.279 59.538 58.200 0.098 0.000 0.974 170 S CB -0.239 62.813 63.200 -0.245 0.000 0.786 170 S HN 0.246 nan 8.310 nan 0.000 0.492 171 N N 2.930 121.634 118.700 0.006 0.000 2.039 171 N HA -0.115 4.627 4.740 0.003 0.000 0.193 171 N C 1.838 177.353 175.510 0.010 0.000 1.044 171 N CA 1.859 54.906 53.050 -0.006 0.000 0.847 171 N CB -0.494 37.986 38.487 -0.010 0.000 1.030 171 N HN 0.817 nan 8.380 nan 0.000 0.422 172 E N 0.559 120.769 120.200 0.017 0.000 2.153 172 E HA -0.136 4.216 4.350 0.003 0.000 0.194 172 E C 1.672 178.279 176.600 0.011 0.000 0.988 172 E CA 0.883 57.289 56.400 0.011 0.000 0.811 172 E CB -0.346 29.358 29.700 0.007 0.000 0.746 172 E HN 0.414 nan 8.360 nan 0.000 0.466 173 I N 1.042 121.635 120.570 0.038 0.000 2.333 173 I HA -0.188 3.984 4.170 0.003 0.000 0.246 173 I C 2.594 178.728 176.117 0.029 0.000 1.106 173 I CA 0.635 61.960 61.300 0.042 0.000 1.411 173 I CB -0.137 37.931 38.000 0.114 0.000 1.082 173 I HN 0.156 nan 8.210 nan 0.000 0.420 174 L N 0.478 121.723 121.223 0.037 0.000 2.083 174 L HA -0.229 4.112 4.340 0.003 0.000 0.209 174 L C 2.561 179.400 176.870 -0.052 0.000 1.083 174 L CA 1.678 56.513 54.840 -0.008 0.000 0.752 174 L CB -0.412 41.627 42.059 -0.032 0.000 0.899 174 L HN 0.307 nan 8.230 nan 0.000 0.433 175 T N -0.117 114.419 114.554 -0.031 0.000 2.684 175 T HA -0.190 4.162 4.350 0.003 0.000 0.267 175 T C 1.900 176.572 174.700 -0.046 0.000 1.036 175 T CA 1.349 63.431 62.100 -0.030 0.000 1.148 175 T CB -0.308 68.561 68.868 0.003 0.000 0.863 175 T HN 0.534 nan 8.240 nan 0.000 0.436 176 A N 1.111 123.908 122.820 -0.038 0.000 1.883 176 A HA -0.050 4.272 4.320 0.003 0.000 0.217 176 A C 2.316 179.862 177.584 -0.063 0.000 1.186 176 A CA 1.346 53.355 52.037 -0.047 0.000 0.624 176 A CB -0.851 18.121 19.000 -0.047 0.000 0.822 176 A HN 0.516 nan 8.150 nan 0.000 0.444 177 I N -0.033 120.498 120.570 -0.065 0.000 2.127 177 I HA -0.252 3.919 4.170 0.003 0.000 0.241 177 I C 2.232 178.287 176.117 -0.104 0.000 1.075 177 I CA 1.008 62.263 61.300 -0.075 0.000 1.334 177 I CB -0.321 37.645 38.000 -0.056 0.000 1.040 177 I HN 0.251 nan 8.210 nan 0.000 0.405 178 I N 0.551 121.034 120.570 -0.146 0.000 2.163 178 I HA -0.351 3.821 4.170 0.003 0.000 0.243 178 I C 2.602 178.618 176.117 -0.168 0.000 1.085 178 I CA 1.699 62.863 61.300 -0.227 0.000 1.347 178 I CB -1.433 36.333 38.000 -0.391 0.000 1.044 178 I HN 0.442 nan 8.210 nan 0.000 0.408 179 Q N 0.764 120.497 119.800 -0.113 0.000 2.096 179 Q HA -0.183 4.159 4.340 0.003 0.000 0.204 179 Q C 2.186 178.147 176.000 -0.064 0.000 0.982 179 Q CA 2.125 57.888 55.803 -0.068 0.000 0.850 179 Q CB -0.382 28.331 28.738 -0.041 0.000 0.901 179 Q HN 0.540 nan 8.270 nan 0.000 0.422 180 G N -0.027 108.731 108.800 -0.070 0.000 2.509 180 G HA2 -0.165 3.796 3.960 0.003 0.000 0.218 180 G HA3 -0.165 3.796 3.960 0.003 0.000 0.218 180 G C 1.224 176.085 174.900 -0.066 0.000 1.124 180 G CA 0.498 45.559 45.100 -0.064 0.000 0.776 180 G HN 0.306 nan 8.290 nan 0.000 0.547 181 M N 0.007 119.559 119.600 -0.080 0.000 2.435 181 M HA 0.197 4.679 4.480 0.003 0.000 0.265 181 M C 0.707 176.965 176.300 -0.070 0.000 1.104 181 M CA 0.000 55.253 55.300 -0.078 0.000 1.140 181 M CB 0.205 32.746 32.600 -0.099 0.000 1.372 181 M HN -0.053 nan 8.290 nan 0.000 0.456 182 R N 2.324 122.782 120.500 -0.071 0.000 2.758 182 R HA -0.073 4.268 4.340 0.003 0.000 0.263 182 R C 0.979 177.259 176.300 -0.033 0.000 1.010 182 R CA 0.438 56.510 56.100 -0.047 0.000 1.114 182 R CB -0.261 30.021 30.300 -0.030 0.000 0.985 182 R HN 0.405 nan 8.270 nan 0.000 0.439 183 K N 0.659 121.046 120.400 -0.022 0.000 2.504 183 K HA -0.065 4.257 4.320 0.003 0.000 0.195 183 K C 0.517 177.107 176.600 -0.016 0.000 1.036 183 K CA 0.913 57.188 56.287 -0.019 0.000 0.984 183 K CB 0.166 32.657 32.500 -0.013 0.000 0.788 183 K HN 0.287 nan 8.250 nan 0.000 0.488 184 E N 1.591 121.783 120.200 -0.013 0.000 2.208 184 E HA -0.025 4.327 4.350 0.003 0.000 0.193 184 E C 0.127 176.716 176.600 -0.018 0.000 0.988 184 E CA 0.554 56.947 56.400 -0.011 0.000 0.828 184 E CB -0.007 29.690 29.700 -0.005 0.000 0.763 184 E HN 0.209 nan 8.360 nan 0.000 0.478 185 E N 1.434 121.620 120.200 -0.024 0.000 2.406 185 E HA -0.038 4.314 4.350 0.003 0.000 0.258 185 E C -1.620 174.962 176.600 -0.030 0.000 1.043 185 E CA -1.581 54.801 56.400 -0.030 0.000 0.929 185 E CB 0.775 30.453 29.700 -0.037 0.000 0.969 185 E HN 0.054 nan 8.360 nan 0.000 0.462 186 P HA -0.078 nan 4.420 nan 0.000 0.219 186 P C 0.476 177.755 177.300 -0.036 0.000 1.150 186 P CA 0.426 63.508 63.100 -0.030 0.000 0.814 186 P CB 0.430 32.112 31.700 -0.030 0.000 0.787 187 S N 0.517 116.190 115.700 -0.044 0.000 2.465 187 S HA 0.171 4.642 4.470 0.003 0.000 0.279 187 S C 1.236 175.809 174.600 -0.044 0.000 1.201 187 S CA -0.662 57.508 58.200 -0.051 0.000 1.053 187 S CB -0.286 62.872 63.200 -0.069 0.000 0.953 187 S HN -0.070 nan 8.310 nan 0.000 0.488 188 N N 4.861 123.538 118.700 -0.038 0.000 2.331 188 N HA -0.064 4.678 4.740 0.003 0.000 0.180 188 N C 1.127 176.617 175.510 -0.032 0.000 1.019 188 N CA 0.670 53.702 53.050 -0.031 0.000 0.881 188 N CB -0.251 38.221 38.487 -0.024 0.000 0.972 188 N HN 0.621 nan 8.380 nan 0.000 0.435 189 N N 0.711 119.388 118.700 -0.038 0.000 2.188 189 N HA -0.063 4.678 4.740 0.003 0.000 0.184 189 N C 1.783 177.268 175.510 -0.041 0.000 1.018 189 N CA 0.551 53.580 53.050 -0.036 0.000 0.858 189 N CB -0.133 38.327 38.487 -0.044 0.000 0.989 189 N HN 0.047 nan 8.380 nan 0.000 0.426 190 V N 1.777 121.659 119.914 -0.053 0.000 2.548 190 V HA -0.126 3.996 4.120 0.003 0.000 0.249 190 V C 2.232 178.297 176.094 -0.049 0.000 1.055 190 V CA 1.265 63.532 62.300 -0.055 0.000 1.065 190 V CB -0.259 31.527 31.823 -0.061 0.000 0.681 190 V HN 0.255 nan 8.190 nan 0.000 0.462 191 K N -0.321 120.052 120.400 -0.044 0.000 2.057 191 K HA -0.108 4.214 4.320 0.003 0.000 0.207 191 K C 2.168 178.746 176.600 -0.036 0.000 1.049 191 K CA 1.250 57.512 56.287 -0.041 0.000 0.931 191 K CB -0.249 32.230 32.500 -0.036 0.000 0.714 191 K HN 0.337 nan 8.250 nan 0.000 0.440 192 L N 0.639 121.844 121.223 -0.029 0.000 2.017 192 L HA -0.183 4.158 4.340 0.003 0.000 0.208 192 L C 2.446 179.302 176.870 -0.023 0.000 1.073 192 L CA 1.343 56.171 54.840 -0.020 0.000 0.745 192 L CB -0.487 41.566 42.059 -0.010 0.000 0.894 192 L HN 0.175 nan 8.230 nan 0.000 0.432 193 A N -0.258 122.542 122.820 -0.032 0.000 1.908 193 A HA -0.227 4.095 4.320 0.003 0.000 0.218 193 A C 2.402 179.950 177.584 -0.060 0.000 1.181 193 A CA 1.887 53.896 52.037 -0.047 0.000 0.627 193 A CB -0.754 18.210 19.000 -0.059 0.000 0.818 193 A HN 0.560 nan 8.150 nan 0.000 0.445 194 A N -1.174 121.612 122.820 -0.057 0.000 1.898 194 A HA -0.051 4.271 4.320 0.003 0.000 0.216 194 A C 2.290 179.845 177.584 -0.048 0.000 1.181 194 A CA 2.182 54.183 52.037 -0.061 0.000 0.620 194 A CB -1.242 17.719 19.000 -0.065 0.000 0.819 194 A HN 0.429 nan 8.150 nan 0.000 0.442 195 T N 0.305 114.836 114.554 -0.038 0.000 2.833 195 T HA -0.135 4.216 4.350 0.003 0.000 0.269 195 T C 1.698 176.392 174.700 -0.010 0.000 1.054 195 T CA 1.693 63.777 62.100 -0.026 0.000 1.135 195 T CB -0.485 68.369 68.868 -0.022 0.000 0.869 195 T HN 0.663 nan 8.240 nan 0.000 0.466 196 N N 0.679 119.373 118.700 -0.009 0.000 2.216 196 N HA 0.052 4.793 4.740 0.003 0.000 0.183 196 N C 2.216 177.729 175.510 0.006 0.000 1.017 196 N CA 0.733 53.788 53.050 0.008 0.000 0.861 196 N CB -0.131 38.364 38.487 0.014 0.000 0.986 196 N HN 0.339 nan 8.380 nan 0.000 0.428 197 A N 1.116 123.919 122.820 -0.028 0.000 1.902 197 A HA -0.117 4.204 4.320 0.003 0.000 0.217 197 A C 2.097 179.681 177.584 0.000 0.000 1.181 197 A CA 0.960 52.973 52.037 -0.040 0.000 0.623 197 A CB -0.650 18.300 19.000 -0.083 0.000 0.818 197 A HN 0.257 nan 8.150 nan 0.000 0.443 198 L N -0.738 120.487 121.223 0.003 0.000 2.017 198 L HA -0.119 4.223 4.340 0.003 0.000 0.208 198 L C 2.250 179.157 176.870 0.062 0.000 1.073 198 L CA 2.066 56.925 54.840 0.031 0.000 0.745 198 L CB -0.608 41.458 42.059 0.011 0.000 0.894 198 L HN 0.351 nan 8.230 nan 0.000 0.432 199 L N 0.092 121.343 121.223 0.048 0.000 2.042 199 L HA -0.210 4.132 4.340 0.003 0.000 0.210 199 L C 2.121 179.028 176.870 0.062 0.000 1.076 199 L CA 1.790 56.662 54.840 0.054 0.000 0.749 199 L CB -0.974 41.109 42.059 0.040 0.000 0.893 199 L HN 0.396 nan 8.230 nan 0.000 0.432 200 N N -1.023 117.715 118.700 0.063 0.000 2.396 200 N HA -0.067 4.675 4.740 0.003 0.000 0.180 200 N C 1.507 177.067 175.510 0.085 0.000 1.028 200 N CA 1.220 54.314 53.050 0.073 0.000 0.893 200 N CB -0.069 38.475 38.487 0.095 0.000 0.967 200 N HN 0.349 nan 8.380 nan 0.000 0.440 201 S N 0.248 116.010 115.700 0.102 0.000 2.540 201 S HA 0.277 4.748 4.470 0.003 0.000 0.218 201 S C 1.859 176.598 174.600 0.231 0.000 0.977 201 S CA -0.355 57.948 58.200 0.172 0.000 0.918 201 S CB 0.468 63.771 63.200 0.172 0.000 0.806 201 S HN 0.196 nan 8.310 nan 0.000 0.496 202 L N 1.734 123.062 121.223 0.174 0.000 2.013 202 L HA -0.194 4.148 4.340 0.003 0.000 0.212 202 L C 2.422 179.421 176.870 0.216 0.000 1.073 202 L CA 1.523 56.484 54.840 0.202 0.000 0.753 202 L CB -0.531 41.608 42.059 0.133 0.000 0.890 202 L HN 0.404 nan 8.230 nan 0.000 0.432 203 E N -0.645 119.642 120.200 0.145 0.000 2.150 203 E HA -0.243 4.109 4.350 0.003 0.000 0.193 203 E C 1.995 178.711 176.600 0.194 0.000 0.985 203 E CA 1.098 57.569 56.400 0.118 0.000 0.814 203 E CB -0.169 29.566 29.700 0.059 0.000 0.752 203 E HN 0.414 nan 8.360 nan 0.000 0.466 204 F N 2.150 122.150 119.950 0.084 0.000 2.293 204 F HA -0.095 4.434 4.527 0.002 0.000 0.300 204 F C 2.139 177.997 175.800 0.097 0.000 1.086 204 F CA 1.597 59.643 58.000 0.076 0.000 1.375 204 F CB -0.150 38.882 39.000 0.053 0.000 1.045 204 F HN -0.129 nan 8.300 nan 0.000 0.516 205 T N -2.321 112.234 114.554 0.002 0.000 3.272 205 T HA 0.042 4.394 4.350 0.003 0.000 0.250 205 T C 1.745 176.462 174.700 0.028 0.000 1.082 205 T CA 0.113 62.169 62.100 -0.073 0.000 0.968 205 T CB -0.481 68.455 68.868 0.113 0.000 1.015 205 T HN 0.385 nan 8.240 nan 0.000 0.563 206 K N 1.418 121.865 120.400 0.078 0.000 2.074 206 K HA -0.144 4.178 4.320 0.003 0.000 0.209 206 K C 2.455 179.075 176.600 0.033 0.000 1.048 206 K CA 1.513 57.900 56.287 0.165 0.000 0.926 206 K CB -0.678 31.939 32.500 0.195 0.000 0.713 206 K HN 0.454 nan 8.250 nan 0.000 0.444 207 A N 1.194 123.981 122.820 -0.056 0.000 1.902 207 A HA -0.202 4.120 4.320 0.003 0.000 0.217 207 A C 1.684 179.206 177.584 -0.104 0.000 1.181 207 A CA 2.033 54.026 52.037 -0.074 0.000 0.623 207 A CB -0.697 18.235 19.000 -0.113 0.000 0.818 207 A HN 0.525 nan 8.150 nan 0.000 0.443 208 N N -1.183 117.434 118.700 -0.138 0.000 2.216 208 N HA -0.032 4.709 4.740 0.003 0.000 0.183 208 N C 1.185 176.528 175.510 -0.279 0.000 1.017 208 N CA 1.120 54.060 53.050 -0.183 0.000 0.861 208 N CB -0.414 37.962 38.487 -0.184 0.000 0.986 208 N HN 0.445 nan 8.380 nan 0.000 0.428 209 F N 1.377 121.076 119.950 -0.418 0.000 2.408 209 F HA -0.096 4.433 4.527 0.003 0.000 0.300 209 F C 1.416 176.751 175.800 -0.776 0.000 1.090 209 F CA 0.988 58.584 58.000 -0.674 0.000 1.427 209 F CB 0.082 38.420 39.000 -1.103 0.000 1.070 209 F HN 0.060 nan 8.300 nan 0.000 0.549 210 D N -0.432 119.785 120.400 -0.305 0.000 2.317 210 D HA -0.041 4.600 4.640 0.003 0.000 0.211 210 D C 0.585 176.774 176.300 -0.185 0.000 0.966 210 D CA 0.716 54.592 54.000 -0.207 0.000 0.876 210 D CB -0.058 40.747 40.800 0.008 0.000 0.927 210 D HN 0.084 nan 8.370 nan 0.000 0.519 211 K N 1.493 121.760 120.400 -0.222 0.000 2.250 211 K HA 0.090 4.412 4.320 0.003 0.000 0.280 211 K C 0.934 177.375 176.600 -0.265 0.000 1.098 211 K CA -0.143 56.034 56.287 -0.184 0.000 0.916 211 K CB 1.245 33.653 32.500 -0.153 0.000 1.209 211 K HN -0.041 nan 8.250 nan 0.000 0.461 212 E N 1.984 122.041 120.200 -0.238 0.000 2.086 212 E HA -0.336 4.016 4.350 0.003 0.000 0.205 212 E C 1.289 177.565 176.600 -0.540 0.000 1.027 212 E CA 2.331 58.505 56.400 -0.377 0.000 0.830 212 E CB 0.151 29.720 29.700 -0.219 0.000 0.751 212 E HN 0.634 nan 8.360 nan 0.000 0.456 213 S N 0.292 115.831 115.700 -0.268 0.000 2.365 213 S HA -0.251 4.220 4.470 0.003 0.000 0.225 213 S C 1.833 176.354 174.600 -0.132 0.000 1.039 213 S CA 1.632 59.747 58.200 -0.141 0.000 1.033 213 S CB -0.511 62.647 63.200 -0.071 0.000 0.887 213 S HN 0.395 nan 8.310 nan 0.000 0.447 214 E N 1.019 121.121 120.200 -0.164 0.000 2.107 214 E HA -0.068 4.284 4.350 0.003 0.000 0.191 214 E C 2.379 178.829 176.600 -0.250 0.000 0.982 214 E CA 0.718 57.041 56.400 -0.129 0.000 0.809 214 E CB -0.190 29.415 29.700 -0.158 0.000 0.756 214 E HN 0.581 nan 8.360 nan 0.000 0.459 215 R N 0.526 120.770 120.500 -0.427 0.000 2.073 215 R HA -0.173 4.168 4.340 0.003 0.000 0.234 215 R C 2.253 178.354 176.300 -0.332 0.000 1.134 215 R CA 1.473 57.203 56.100 -0.617 0.000 0.952 215 R CB -0.136 29.813 30.300 -0.584 0.000 0.850 215 R HN 0.249 nan 8.270 nan 0.000 0.433 216 H N -0.494 118.558 119.070 -0.031 0.000 2.353 216 H HA -0.190 4.368 4.556 0.003 0.000 0.298 216 H C 1.884 177.246 175.328 0.057 0.000 1.103 216 H CA 1.524 57.630 56.048 0.097 0.000 1.293 216 H CB -0.575 29.262 29.762 0.125 0.000 1.372 216 H HN 0.208 nan 8.280 nan 0.000 0.501 217 F N 1.167 121.090 119.950 -0.044 0.000 2.134 217 F HA -0.118 4.410 4.527 0.002 0.000 0.299 217 F C 2.443 178.149 175.800 -0.156 0.000 1.097 217 F CA 0.653 58.600 58.000 -0.088 0.000 1.264 217 F CB -0.774 38.166 39.000 -0.100 0.000 1.001 217 F HN 0.018 nan 8.300 nan 0.000 0.479 218 I N -0.738 119.702 120.570 -0.217 0.000 2.252 218 I HA -0.342 3.829 4.170 0.003 0.000 0.245 218 I C 2.320 178.280 176.117 -0.262 0.000 1.102 218 I CA 0.928 62.019 61.300 -0.349 0.000 1.385 218 I CB -0.439 37.241 38.000 -0.532 0.000 1.064 218 I HN 0.031 nan 8.210 nan 0.000 0.414 219 M N -0.073 119.346 119.600 -0.300 0.000 2.213 219 M HA -0.179 4.302 4.480 0.003 0.000 0.263 219 M C 2.230 178.450 176.300 -0.134 0.000 1.062 219 M CA 1.446 56.575 55.300 -0.286 0.000 1.105 219 M CB -1.244 30.968 32.600 -0.648 0.000 1.385 219 M HN 0.270 nan 8.290 nan 0.000 0.417 220 Q N 0.571 120.340 119.800 -0.050 0.000 1.975 220 Q HA -0.135 4.207 4.340 0.003 0.000 0.205 220 Q C 2.249 178.237 176.000 -0.020 0.000 0.990 220 Q CA 1.804 57.630 55.803 0.039 0.000 0.845 220 Q CB -0.950 27.918 28.738 0.217 0.000 0.913 220 Q HN 0.357 nan 8.270 nan 0.000 0.420 221 V N 0.100 119.956 119.914 -0.097 0.000 2.515 221 V HA -0.157 3.965 4.120 0.003 0.000 0.250 221 V C 2.329 178.364 176.094 -0.098 0.000 1.058 221 V CA 1.401 63.624 62.300 -0.128 0.000 1.064 221 V CB -0.154 31.516 31.823 -0.254 0.000 0.675 221 V HN 0.229 nan 8.190 nan 0.000 0.461 222 V N -0.869 118.986 119.914 -0.098 0.000 2.270 222 V HA -0.257 3.865 4.120 0.003 0.000 0.245 222 V C 2.590 178.648 176.094 -0.061 0.000 1.043 222 V CA 2.285 64.543 62.300 -0.070 0.000 1.014 222 V CB -0.856 30.934 31.823 -0.055 0.000 0.645 222 V HN 0.684 nan 8.190 nan 0.000 0.447 223 C N -0.067 119.195 119.300 -0.062 0.000 2.413 223 C HA -0.187 4.275 4.460 0.003 0.000 0.276 223 C C 2.777 177.740 174.990 -0.045 0.000 1.248 223 C CA 1.491 60.475 59.018 -0.057 0.000 1.742 223 C CB -0.947 26.767 27.740 -0.042 0.000 2.017 223 C HN 0.719 nan 8.230 nan 0.000 0.481 224 E N 1.078 121.256 120.200 -0.036 0.000 2.077 224 E HA -0.175 4.177 4.350 0.003 0.000 0.193 224 E C 2.205 178.784 176.600 -0.034 0.000 0.989 224 E CA 1.300 57.684 56.400 -0.027 0.000 0.800 224 E CB -0.208 29.481 29.700 -0.019 0.000 0.746 224 E HN 0.577 nan 8.360 nan 0.000 0.452 225 A N 0.708 123.503 122.820 -0.042 0.000 2.019 225 A HA -0.172 4.150 4.320 0.003 0.000 0.219 225 A C 2.360 179.922 177.584 -0.037 0.000 1.164 225 A CA 2.051 54.064 52.037 -0.040 0.000 0.644 225 A CB -1.095 17.878 19.000 -0.045 0.000 0.805 225 A HN 0.525 nan 8.150 nan 0.000 0.449 226 T N -3.443 111.086 114.554 -0.043 0.000 3.113 226 T HA -0.043 4.309 4.350 0.003 0.000 0.263 226 T C 1.307 175.983 174.700 -0.041 0.000 1.143 226 T CA 1.235 63.308 62.100 -0.046 0.000 1.090 226 T CB -0.112 68.717 68.868 -0.065 0.000 0.922 226 T HN 0.387 nan 8.240 nan 0.000 0.521 227 Q N -0.050 119.729 119.800 -0.035 0.000 2.282 227 Q HA 0.279 4.620 4.340 0.003 0.000 0.206 227 Q C 0.914 176.900 176.000 -0.024 0.000 0.878 227 Q CA -0.211 55.574 55.803 -0.029 0.000 0.944 227 Q CB -0.286 28.436 28.738 -0.026 0.000 1.100 227 Q HN 0.647 nan 8.270 nan 0.000 0.509 228 C N 2.756 122.042 119.300 -0.025 0.000 2.642 228 C HA 0.086 4.548 4.460 0.003 0.000 0.420 228 C C -0.832 174.146 174.990 -0.019 0.000 1.349 228 C CA -1.109 57.896 59.018 -0.022 0.000 1.821 228 C CB 0.431 28.157 27.740 -0.023 0.000 2.637 228 C HN 0.243 nan 8.230 nan 0.000 0.605 229 P HA -0.107 nan 4.420 nan 0.000 0.217 229 P C -0.052 177.240 177.300 -0.014 0.000 1.148 229 P CA 1.288 64.379 63.100 -0.015 0.000 0.828 229 P CB -0.078 31.614 31.700 -0.013 0.000 0.783 230 D N -1.632 118.759 120.400 -0.014 0.000 2.358 230 D HA 0.006 4.648 4.640 0.003 0.000 0.258 230 D C 1.091 177.385 176.300 -0.011 0.000 1.223 230 D CA 0.339 54.332 54.000 -0.012 0.000 0.886 230 D CB 0.378 41.170 40.800 -0.013 0.000 1.120 230 D HN -0.083 nan 8.370 nan 0.000 0.482 231 T N 3.532 118.081 114.554 -0.008 0.000 2.699 231 T HA -0.202 4.150 4.350 0.003 0.000 0.268 231 T C 1.858 176.556 174.700 -0.003 0.000 1.036 231 T CA 1.118 63.214 62.100 -0.007 0.000 1.147 231 T CB -0.040 68.825 68.868 -0.004 0.000 0.862 231 T HN 0.440 nan 8.240 nan 0.000 0.446 232 R N 0.231 120.730 120.500 -0.001 0.000 2.096 232 R HA -0.033 4.309 4.340 0.003 0.000 0.235 232 R C 2.505 178.804 176.300 -0.001 0.000 1.127 232 R CA 1.005 57.107 56.100 0.003 0.000 0.968 232 R CB -0.664 29.639 30.300 0.005 0.000 0.861 232 R HN 0.268 nan 8.270 nan 0.000 0.440 233 V N 1.043 120.952 119.914 -0.007 0.000 2.358 233 V HA -0.229 3.893 4.120 0.003 0.000 0.246 233 V C 2.313 178.399 176.094 -0.014 0.000 1.047 233 V CA 1.633 63.926 62.300 -0.013 0.000 1.035 233 V CB -0.465 31.347 31.823 -0.019 0.000 0.658 233 V HN 0.306 nan 8.190 nan 0.000 0.452 234 R N -0.347 120.145 120.500 -0.014 0.000 2.080 234 R HA -0.147 4.195 4.340 0.003 0.000 0.236 234 R C 2.271 178.564 176.300 -0.012 0.000 1.137 234 R CA 1.662 57.751 56.100 -0.018 0.000 0.943 234 R CB -0.777 29.512 30.300 -0.019 0.000 0.846 234 R HN 0.385 nan 8.270 nan 0.000 0.431 235 V N 1.220 121.132 119.914 -0.003 0.000 2.287 235 V HA -0.289 3.833 4.120 0.003 0.000 0.248 235 V C 2.492 178.593 176.094 0.012 0.000 1.053 235 V CA 2.089 64.394 62.300 0.008 0.000 1.027 235 V CB -0.807 31.025 31.823 0.016 0.000 0.646 235 V HN 0.465 nan 8.190 nan 0.000 0.447 236 A N -0.273 122.552 122.820 0.009 0.000 1.933 236 A HA -0.105 4.217 4.320 0.003 0.000 0.218 236 A C 2.396 179.984 177.584 0.007 0.000 1.175 236 A CA 2.099 54.143 52.037 0.011 0.000 0.628 236 A CB -0.707 18.297 19.000 0.007 0.000 0.814 236 A HN 0.589 nan 8.150 nan 0.000 0.444 237 A N -0.314 122.504 122.820 -0.005 0.000 1.898 237 A HA 0.016 4.338 4.320 0.003 0.000 0.216 237 A C 2.145 179.723 177.584 -0.009 0.000 1.181 237 A CA 1.381 53.410 52.037 -0.013 0.000 0.620 237 A CB -0.555 18.428 19.000 -0.027 0.000 0.819 237 A HN 0.459 nan 8.150 nan 0.000 0.442 238 L N -0.764 120.452 121.223 -0.010 0.000 2.083 238 L HA -0.244 4.097 4.340 0.003 0.000 0.209 238 L C 2.847 179.740 176.870 0.038 0.000 1.083 238 L CA 1.425 56.261 54.840 -0.007 0.000 0.752 238 L CB -0.544 41.509 42.059 -0.009 0.000 0.899 238 L HN 0.487 nan 8.230 nan 0.000 0.433 239 Q N -0.400 119.422 119.800 0.037 0.000 2.170 239 Q HA -0.183 4.158 4.340 0.003 0.000 0.203 239 Q C 1.997 178.025 176.000 0.047 0.000 0.976 239 Q CA 1.150 56.981 55.803 0.046 0.000 0.858 239 Q CB -0.149 28.612 28.738 0.037 0.000 0.907 239 Q HN 0.525 nan 8.270 nan 0.000 0.433 240 N N 0.566 119.291 118.700 0.041 0.000 2.120 240 N HA -0.122 4.619 4.740 0.003 0.000 0.188 240 N C 1.884 177.437 175.510 0.072 0.000 1.024 240 N CA 0.998 54.078 53.050 0.050 0.000 0.852 240 N CB -0.087 38.425 38.487 0.041 0.000 1.003 240 N HN 0.246 nan 8.380 nan 0.000 0.424 241 L N 0.758 122.029 121.223 0.080 0.000 2.046 241 L HA -0.140 4.202 4.340 0.003 0.000 0.208 241 L C 2.392 179.394 176.870 0.221 0.000 1.077 241 L CA 0.778 55.708 54.840 0.149 0.000 0.747 241 L CB -0.537 41.570 42.059 0.079 0.000 0.896 241 L HN -0.034 nan 8.230 nan 0.000 0.432 242 V N 0.085 120.105 119.914 0.178 0.000 2.261 242 V HA -0.300 3.821 4.120 0.003 0.000 0.246 242 V C 2.582 178.658 176.094 -0.030 0.000 1.047 242 V CA 2.030 64.362 62.300 0.054 0.000 1.015 242 V CB -0.499 31.353 31.823 0.047 0.000 0.642 242 V HN 0.362 nan 8.190 nan 0.000 0.446 243 K N 0.380 120.776 120.400 -0.005 0.000 2.097 243 K HA -0.084 4.237 4.320 0.003 0.000 0.206 243 K C 1.805 178.360 176.600 -0.074 0.000 1.049 243 K CA 1.588 57.849 56.287 -0.043 0.000 0.933 243 K CB -0.533 31.955 32.500 -0.019 0.000 0.717 243 K HN 0.471 nan 8.250 nan 0.000 0.442 244 I N 0.028 120.593 120.570 -0.009 0.000 2.252 244 I HA -0.245 3.927 4.170 0.003 0.000 0.245 244 I C 2.251 178.364 176.117 -0.007 0.000 1.102 244 I CA 1.139 62.447 61.300 0.012 0.000 1.385 244 I CB -0.221 37.855 38.000 0.127 0.000 1.064 244 I HN 0.253 nan 8.210 nan 0.000 0.414 245 M N 0.390 119.976 119.600 -0.022 0.000 2.213 245 M HA -0.159 4.322 4.480 0.003 0.000 0.263 245 M C 2.226 178.500 176.300 -0.043 0.000 1.062 245 M CA 1.819 57.075 55.300 -0.072 0.000 1.105 245 M CB -0.350 32.066 32.600 -0.308 0.000 1.385 245 M HN -0.013 nan 8.290 nan 0.000 0.417 246 S N -0.211 115.424 115.700 -0.108 0.000 2.395 246 S HA 0.092 4.564 4.470 0.003 0.000 0.225 246 S C 1.768 176.258 174.600 -0.184 0.000 1.027 246 S CA 1.065 59.191 58.200 -0.123 0.000 0.965 246 S CB -0.240 62.881 63.200 -0.132 0.000 0.812 246 S HN 0.526 nan 8.310 nan 0.000 0.482 247 L N -0.839 120.186 121.223 -0.329 0.000 2.249 247 L HA 0.112 4.453 4.340 0.003 0.000 0.207 247 L C 0.318 176.720 176.870 -0.781 0.000 1.090 247 L CA 0.905 55.354 54.840 -0.651 0.000 0.802 247 L CB -0.040 41.395 42.059 -1.041 0.000 0.947 247 L HN 0.327 nan 8.230 nan 0.000 0.453 248 Y N -2.610 117.646 120.300 -0.073 0.000 2.634 248 Y HA 0.122 4.674 4.550 0.003 0.000 0.292 248 Y C 1.140 177.113 175.900 0.121 0.000 0.996 248 Y CA -1.370 56.752 58.100 0.037 0.000 1.165 248 Y CB -0.745 37.664 38.460 -0.084 0.000 1.194 248 Y HN -0.022 nan 8.280 nan 0.000 0.585 249 Y N 1.999 122.330 120.300 0.051 0.000 2.096 249 Y HA -0.400 4.151 4.550 0.003 0.000 0.278 249 Y C 2.163 178.129 175.900 0.111 0.000 1.192 249 Y CA 2.567 60.701 58.100 0.057 0.000 1.143 249 Y CB 0.180 38.631 38.460 -0.015 0.000 0.963 249 Y HN 0.416 nan 8.280 nan 0.000 0.505 250 Q N -2.082 117.832 119.800 0.189 0.000 2.364 250 Q HA -0.190 4.152 4.340 0.003 0.000 0.207 250 Q C 1.161 177.116 176.000 -0.075 0.000 0.970 250 Q CA 1.409 57.229 55.803 0.027 0.000 0.888 250 Q CB -0.547 28.165 28.738 -0.044 0.000 0.951 250 Q HN 0.616 nan 8.270 nan 0.000 0.469 251 Y N -0.101 120.321 120.300 0.203 0.000 2.490 251 Y HA 0.141 4.693 4.550 0.003 0.000 0.281 251 Y C 1.793 177.873 175.900 0.300 0.000 1.174 251 Y CA 0.200 58.450 58.100 0.250 0.000 1.295 251 Y CB 0.252 38.917 38.460 0.342 0.000 1.062 251 Y HN 0.086 nan 8.280 nan 0.000 0.522 252 M N -0.539 119.240 119.600 0.298 0.000 2.476 252 M HA -0.086 4.395 4.480 0.003 0.000 0.262 252 M C 1.636 178.021 176.300 0.142 0.000 1.079 252 M CA 0.800 56.247 55.300 0.244 0.000 1.104 252 M CB -0.761 31.803 32.600 -0.060 0.000 1.409 252 M HN 0.256 nan 8.290 nan 0.000 0.467 253 E N 0.578 120.864 120.200 0.142 0.000 2.048 253 E HA -0.204 4.148 4.350 0.003 0.000 0.202 253 E C 1.942 178.544 176.600 0.003 0.000 1.021 253 E CA 2.722 59.206 56.400 0.139 0.000 0.825 253 E CB -0.242 29.522 29.700 0.107 0.000 0.756 253 E HN 0.613 nan 8.360 nan 0.000 0.454 254 T N -1.847 112.605 114.554 -0.170 0.000 2.977 254 T HA -0.172 4.180 4.350 0.003 0.000 0.271 254 T C 1.274 175.686 174.700 -0.481 0.000 1.105 254 T CA 1.233 63.102 62.100 -0.384 0.000 1.116 254 T CB -0.257 68.269 68.868 -0.569 0.000 0.878 254 T HN 0.202 nan 8.240 nan 0.000 0.509 255 Y N -0.388 119.961 120.300 0.081 0.000 2.498 255 Y HA 0.542 5.093 4.550 0.002 0.000 0.259 255 Y C 1.008 176.925 175.900 0.027 0.000 1.086 255 Y CA -1.131 57.001 58.100 0.053 0.000 1.287 255 Y CB -0.068 38.434 38.460 0.070 0.000 1.146 255 Y HN 0.209 nan 8.280 nan 0.000 0.523 256 M N 0.664 120.333 119.600 0.115 0.000 2.184 256 M HA 0.466 4.948 4.480 0.003 0.000 0.351 256 M C 1.044 177.407 176.300 0.106 0.000 1.395 256 M CA 0.911 56.251 55.300 0.066 0.000 1.117 256 M CB 0.225 32.740 32.600 -0.140 0.000 1.708 256 M HN 0.474 nan 8.290 nan 0.000 0.468 257 G N 4.736 113.620 108.800 0.140 0.000 3.642 257 G HA2 -0.188 3.774 3.960 0.003 0.000 0.205 257 G HA3 -0.188 3.774 3.960 0.003 0.000 0.205 257 G C -1.327 173.616 174.900 0.072 0.000 1.526 257 G CA -0.025 45.113 45.100 0.063 0.000 1.097 257 G HN 0.623 nan 8.290 nan 0.000 0.596 258 P HA 0.446 nan 4.420 nan 0.000 0.245 258 P C 0.792 178.136 177.300 0.073 0.000 1.212 258 P CA 2.270 65.400 63.100 0.050 0.000 0.774 258 P CB 0.607 32.320 31.700 0.021 0.000 0.999 259 A N -1.019 121.861 122.820 0.099 0.000 1.461 259 A HA 0.105 4.426 4.320 0.003 0.000 0.209 259 A C 1.716 179.325 177.584 0.042 0.000 1.769 259 A CA -0.021 52.062 52.037 0.076 0.000 1.456 259 A CB -0.865 18.188 19.000 0.087 0.000 1.363 259 A HN -0.005 nan 8.150 nan 0.000 0.395 260 L N -0.411 120.836 121.223 0.039 0.000 2.012 260 L HA -0.155 4.187 4.340 0.003 0.000 0.210 260 L C 2.446 179.266 176.870 -0.084 0.000 1.073 260 L CA 2.274 57.052 54.840 -0.103 0.000 0.748 260 L CB -0.693 41.307 42.059 -0.099 0.000 0.891 260 L HN 0.553 nan 8.230 nan 0.000 0.431 261 F N 1.201 121.149 119.950 -0.005 0.000 2.043 261 F HA -0.314 4.215 4.527 0.003 0.000 0.297 261 F C 2.504 178.326 175.800 0.037 0.000 1.121 261 F CA 1.732 59.798 58.000 0.110 0.000 1.199 261 F CB -0.376 38.671 39.000 0.078 0.000 0.968 261 F HN -0.001 nan 8.300 nan 0.000 0.478 262 A N 0.323 123.136 122.820 -0.011 0.000 1.930 262 A HA -0.114 4.207 4.320 0.003 0.000 0.217 262 A C 2.326 179.813 177.584 -0.161 0.000 1.175 262 A CA 1.795 53.757 52.037 -0.124 0.000 0.627 262 A CB -1.178 17.842 19.000 0.034 0.000 0.815 262 A HN 0.544 nan 8.150 nan 0.000 0.443 263 I N 0.197 120.684 120.570 -0.138 0.000 2.163 263 I HA -0.240 3.931 4.170 0.003 0.000 0.240 263 I C 2.927 178.926 176.117 -0.196 0.000 1.081 263 I CA 1.911 63.119 61.300 -0.154 0.000 1.353 263 I CB -0.517 37.386 38.000 -0.161 0.000 1.054 263 I HN 0.550 nan 8.210 nan 0.000 0.407 264 T N -0.566 113.821 114.554 -0.278 0.000 2.821 264 T HA -0.100 4.251 4.350 0.003 0.000 0.267 264 T C 1.922 176.574 174.700 -0.081 0.000 1.046 264 T CA 0.736 62.699 62.100 -0.228 0.000 1.139 264 T CB -0.363 68.265 68.868 -0.399 0.000 0.871 264 T HN 0.066 nan 8.240 nan 0.000 0.454 265 I N 2.066 122.520 120.570 -0.195 0.000 2.226 265 I HA -0.092 4.080 4.170 0.003 0.000 0.245 265 I C 2.667 178.697 176.117 -0.145 0.000 1.100 265 I CA 1.522 62.675 61.300 -0.244 0.000 1.374 265 I CB -1.175 36.510 38.000 -0.525 0.000 1.057 265 I HN 0.505 nan 8.210 nan 0.000 0.413 266 E N 1.075 121.193 120.200 -0.136 0.000 2.051 266 E HA -0.210 4.142 4.350 0.003 0.000 0.192 266 E C 2.308 178.868 176.600 -0.067 0.000 0.991 266 E CA 1.456 57.804 56.400 -0.086 0.000 0.799 266 E CB 0.061 29.715 29.700 -0.076 0.000 0.748 266 E HN 0.408 nan 8.360 nan 0.000 0.449 267 A N 0.969 123.747 122.820 -0.070 0.000 1.908 267 A HA -0.218 4.104 4.320 0.003 0.000 0.218 267 A C 2.221 179.784 177.584 -0.034 0.000 1.181 267 A CA 1.875 53.883 52.037 -0.050 0.000 0.627 267 A CB -0.602 18.366 19.000 -0.054 0.000 0.818 267 A HN 0.334 nan 8.150 nan 0.000 0.445 268 M N -0.708 118.878 119.600 -0.023 0.000 2.149 268 M HA -0.192 4.290 4.480 0.003 0.000 0.261 268 M C 1.766 178.040 176.300 -0.042 0.000 1.064 268 M CA 1.800 57.090 55.300 -0.017 0.000 1.102 268 M CB -0.297 32.303 32.600 -0.001 0.000 1.369 268 M HN 0.308 nan 8.290 nan 0.000 0.408 269 K N -0.459 119.912 120.400 -0.048 0.000 2.459 269 K HA 0.082 4.403 4.320 0.003 0.000 0.193 269 K C 0.820 177.395 176.600 -0.043 0.000 1.030 269 K CA -0.109 56.150 56.287 -0.047 0.000 1.026 269 K CB 0.017 32.492 32.500 -0.042 0.000 0.809 269 K HN 0.148 nan 8.250 nan 0.000 0.504 270 S N 1.356 117.031 115.700 -0.041 0.000 2.563 270 S HA -0.065 4.406 4.470 0.003 0.000 0.284 270 S C 0.565 175.142 174.600 -0.039 0.000 1.331 270 S CA -0.277 57.902 58.200 -0.036 0.000 1.047 270 S CB 0.491 63.671 63.200 -0.034 0.000 0.859 270 S HN 0.135 nan 8.310 nan 0.000 0.514 271 D N 2.275 122.655 120.400 -0.033 0.000 2.349 271 D HA 0.140 4.782 4.640 0.003 0.000 0.215 271 D C 0.083 176.364 176.300 -0.032 0.000 1.016 271 D CA 0.416 54.395 54.000 -0.034 0.000 0.870 271 D CB 0.088 40.871 40.800 -0.027 0.000 0.917 271 D HN 0.526 nan 8.370 nan 0.000 0.524 272 I N 1.998 122.551 120.570 -0.029 0.000 2.308 272 I HA -0.011 4.160 4.170 0.003 0.000 0.293 272 I C 1.102 177.201 176.117 -0.030 0.000 1.078 272 I CA -0.510 60.776 61.300 -0.024 0.000 1.292 272 I CB 1.066 39.055 38.000 -0.018 0.000 1.423 272 I HN -0.342 nan 8.210 nan 0.000 0.493 273 D N 4.408 124.787 120.400 -0.035 0.000 2.154 273 D HA -0.245 4.397 4.640 0.003 0.000 0.190 273 D C 1.976 178.254 176.300 -0.038 0.000 1.003 273 D CA 1.699 55.670 54.000 -0.049 0.000 0.849 273 D CB 0.081 40.852 40.800 -0.049 0.000 0.942 273 D HN 0.591 nan 8.370 nan 0.000 0.446 274 E N 0.656 120.847 120.200 -0.014 0.000 2.209 274 E HA -0.122 4.229 4.350 0.003 0.000 0.196 274 E C 2.315 178.918 176.600 0.005 0.000 0.993 274 E CA 0.580 56.984 56.400 0.007 0.000 0.819 274 E CB -0.594 29.117 29.700 0.019 0.000 0.745 274 E HN 0.238 nan 8.360 nan 0.000 0.477 275 V N 1.853 121.762 119.914 -0.008 0.000 2.346 275 V HA -0.106 4.016 4.120 0.003 0.000 0.244 275 V C 2.622 178.708 176.094 -0.013 0.000 1.037 275 V CA 1.581 63.875 62.300 -0.010 0.000 1.029 275 V CB -0.755 31.057 31.823 -0.018 0.000 0.663 275 V HN 0.376 nan 8.190 nan 0.000 0.454 276 A N -0.173 122.630 122.820 -0.028 0.000 1.933 276 A HA -0.160 4.161 4.320 0.003 0.000 0.218 276 A C 2.228 179.794 177.584 -0.029 0.000 1.175 276 A CA 1.674 53.689 52.037 -0.036 0.000 0.628 276 A CB -0.568 18.394 19.000 -0.062 0.000 0.814 276 A HN 0.482 nan 8.150 nan 0.000 0.444 277 L N -0.862 120.338 121.223 -0.040 0.000 2.013 277 L HA -0.260 4.082 4.340 0.003 0.000 0.212 277 L C 2.919 179.822 176.870 0.055 0.000 1.073 277 L CA 1.469 56.293 54.840 -0.027 0.000 0.753 277 L CB -0.467 41.588 42.059 -0.006 0.000 0.890 277 L HN 0.406 nan 8.230 nan 0.000 0.432 278 Q N -0.489 119.347 119.800 0.059 0.000 2.123 278 Q HA -0.077 4.264 4.340 0.003 0.000 0.199 278 Q C 2.256 178.316 176.000 0.100 0.000 0.966 278 Q CA 1.459 57.312 55.803 0.084 0.000 0.845 278 Q CB -0.544 28.229 28.738 0.059 0.000 0.907 278 Q HN 0.553 nan 8.270 nan 0.000 0.439 279 G N 0.923 109.764 108.800 0.068 0.000 2.418 279 G HA2 -0.204 3.758 3.960 0.003 0.000 0.217 279 G HA3 -0.204 3.758 3.960 0.003 0.000 0.217 279 G C 1.571 176.594 174.900 0.206 0.000 1.158 279 G CA 0.525 45.680 45.100 0.092 0.000 0.771 279 G HN 0.300 nan 8.290 nan 0.000 0.545 280 I N 0.328 120.987 120.570 0.149 0.000 2.252 280 I HA -0.094 4.077 4.170 0.003 0.000 0.245 280 I C 2.659 178.901 176.117 0.210 0.000 1.102 280 I CA 1.340 62.745 61.300 0.174 0.000 1.385 280 I CB -0.144 37.891 38.000 0.059 0.000 1.064 280 I HN 0.169 nan 8.210 nan 0.000 0.414 281 E N 1.344 121.647 120.200 0.171 0.000 2.153 281 E HA -0.275 4.077 4.350 0.003 0.000 0.194 281 E C 1.977 178.637 176.600 0.100 0.000 0.988 281 E CA 1.391 57.883 56.400 0.152 0.000 0.811 281 E CB -0.496 29.293 29.700 0.148 0.000 0.746 281 E HN 0.403 nan 8.360 nan 0.000 0.466 282 F N -0.808 119.114 119.950 -0.046 0.000 2.091 282 F HA -0.179 4.349 4.527 0.003 0.000 0.299 282 F C 1.617 177.220 175.800 -0.328 0.000 1.103 282 F CA 2.073 59.937 58.000 -0.226 0.000 1.228 282 F CB -0.469 38.321 39.000 -0.349 0.000 0.984 282 F HN 0.105 nan 8.300 nan 0.000 0.477 283 W N -0.300 121.091 121.300 0.152 0.000 2.476 283 W HA -0.038 4.624 4.660 0.003 0.000 0.281 283 W C 2.743 179.275 176.519 0.022 0.000 1.230 283 W CA 1.110 58.501 57.345 0.078 0.000 1.287 283 W CB -0.743 28.809 29.460 0.154 0.000 1.108 283 W HN -0.174 nan 8.180 nan 0.000 0.567 284 S N -0.097 115.726 115.700 0.204 0.000 2.383 284 S HA -0.220 4.252 4.470 0.003 0.000 0.227 284 S C 1.657 176.284 174.600 0.046 0.000 1.026 284 S CA 1.370 59.654 58.200 0.140 0.000 0.981 284 S CB -0.593 62.693 63.200 0.143 0.000 0.818 284 S HN 0.393 nan 8.310 nan 0.000 0.472 285 N N 1.048 119.720 118.700 -0.046 0.000 2.188 285 N HA -0.092 4.650 4.740 0.003 0.000 0.184 285 N C 1.646 177.061 175.510 -0.160 0.000 1.018 285 N CA 1.090 54.066 53.050 -0.123 0.000 0.858 285 N CB -0.031 38.336 38.487 -0.200 0.000 0.989 285 N HN 0.193 nan 8.380 nan 0.000 0.426 286 V N 0.954 120.728 119.914 -0.233 0.000 2.407 286 V HA -0.265 3.857 4.120 0.003 0.000 0.248 286 V C 2.546 178.660 176.094 0.033 0.000 1.055 286 V CA 1.258 63.480 62.300 -0.131 0.000 1.049 286 V CB -0.557 31.166 31.823 -0.167 0.000 0.662 286 V HN 0.517 nan 8.190 nan 0.000 0.455 287 C N -0.065 119.281 119.300 0.076 0.000 2.429 287 C HA -0.141 4.321 4.460 0.003 0.000 0.277 287 C C 2.500 177.494 174.990 0.007 0.000 1.262 287 C CA 0.828 59.894 59.018 0.079 0.000 1.733 287 C CB -1.026 26.780 27.740 0.109 0.000 2.010 287 C HN 0.601 nan 8.230 nan 0.000 0.483 288 D N 0.592 120.982 120.400 -0.016 0.000 2.117 288 D HA -0.097 4.545 4.640 0.003 0.000 0.197 288 D C 2.205 178.447 176.300 -0.096 0.000 0.987 288 D CA 1.109 55.081 54.000 -0.046 0.000 0.829 288 D CB -0.448 40.325 40.800 -0.046 0.000 0.961 288 D HN 0.518 nan 8.370 nan 0.000 0.460 289 E N 0.833 120.959 120.200 -0.124 0.000 2.072 289 E HA -0.099 4.253 4.350 0.003 0.000 0.190 289 E C 1.978 178.380 176.600 -0.331 0.000 0.982 289 E CA 0.567 56.837 56.400 -0.217 0.000 0.803 289 E CB -0.174 29.406 29.700 -0.199 0.000 0.755 289 E HN 0.508 nan 8.360 nan 0.000 0.453 290 E N 0.092 120.135 120.200 -0.262 0.000 2.208 290 E HA -0.036 4.316 4.350 0.003 0.000 0.193 290 E C 2.048 178.499 176.600 -0.248 0.000 0.988 290 E CA 0.497 56.697 56.400 -0.333 0.000 0.828 290 E CB -0.044 29.533 29.700 -0.205 0.000 0.763 290 E HN 0.210 nan 8.360 nan 0.000 0.478 291 M N 0.381 119.896 119.600 -0.142 0.000 2.200 291 M HA -0.119 4.363 4.480 0.003 0.000 0.265 291 M C 1.472 177.703 176.300 -0.115 0.000 1.066 291 M CA 1.197 56.444 55.300 -0.088 0.000 1.127 291 M CB 0.074 32.650 32.600 -0.040 0.000 1.379 291 M HN -0.059 nan 8.290 nan 0.000 0.420 292 D N 0.465 120.776 120.400 -0.149 0.000 2.178 292 D HA -0.098 4.544 4.640 0.003 0.000 0.201 292 D C 1.884 178.069 176.300 -0.191 0.000 0.980 292 D CA 1.034 54.947 54.000 -0.145 0.000 0.842 292 D CB 0.057 40.765 40.800 -0.154 0.000 0.948 292 D HN 0.217 nan 8.370 nan 0.000 0.472 293 L N 0.093 121.120 121.223 -0.327 0.000 1.988 293 L HA -0.122 4.220 4.340 0.003 0.000 0.207 293 L C 2.486 179.131 176.870 -0.376 0.000 1.071 293 L CA 1.132 55.656 54.840 -0.527 0.000 0.744 293 L CB -0.502 41.032 42.059 -0.875 0.000 0.893 293 L HN 0.008 nan 8.230 nan 0.000 0.433 294 A N 0.566 123.241 122.820 -0.242 0.000 1.985 294 A HA -0.292 4.030 4.320 0.003 0.000 0.223 294 A C 2.184 179.826 177.584 0.097 0.000 1.189 294 A CA 2.525 54.578 52.037 0.027 0.000 0.658 294 A CB -1.053 17.963 19.000 0.028 0.000 0.820 294 A HN 0.656 nan 8.150 nan 0.000 0.464 295 I N -3.504 117.085 120.570 0.031 0.000 2.852 295 I HA 0.013 4.184 4.170 0.003 0.000 0.264 295 I C 1.984 178.140 176.117 0.064 0.000 1.179 295 I CA 1.664 62.988 61.300 0.040 0.000 1.480 295 I CB -0.377 37.627 38.000 0.006 0.000 1.111 295 I HN 0.378 nan 8.210 nan 0.000 0.441 296 E N 1.739 121.986 120.200 0.077 0.000 2.209 296 E HA -0.229 4.123 4.350 0.003 0.000 0.196 296 E C 2.138 178.826 176.600 0.147 0.000 0.993 296 E CA 1.339 57.796 56.400 0.095 0.000 0.819 296 E CB -0.018 29.730 29.700 0.080 0.000 0.745 296 E HN 0.717 nan 8.360 nan 0.000 0.477 297 A N 0.605 123.595 122.820 0.284 0.000 1.819 297 A HA -0.173 4.148 4.320 0.003 0.000 0.215 297 A C 2.329 179.915 177.584 0.002 0.000 1.226 297 A CA 1.718 53.769 52.037 0.025 0.000 0.608 297 A CB -0.980 18.034 19.000 0.022 0.000 0.877 297 A HN 0.291 nan 8.150 nan 0.000 0.452 298 S N 0.524 116.245 115.700 0.036 0.000 2.422 298 S HA -0.215 4.256 4.470 0.003 0.000 0.241 298 S C 1.030 175.634 174.600 0.007 0.000 1.076 298 S CA 1.678 59.889 58.200 0.018 0.000 1.066 298 S CB -0.605 62.612 63.200 0.028 0.000 0.890 298 S HN 0.705 nan 8.310 nan 0.000 0.465 299 E N -0.350 119.856 120.200 0.011 0.000 2.816 299 E HA 0.406 4.758 4.350 0.003 0.000 0.260 299 E C 1.131 177.728 176.600 -0.004 0.000 1.414 299 E CA 0.244 56.646 56.400 0.004 0.000 1.074 299 E CB 0.007 29.712 29.700 0.007 0.000 1.123 299 E HN 0.249 nan 8.360 nan 0.000 0.664 300 A N -0.494 122.324 122.820 -0.004 0.000 3.396 300 A HA -0.253 4.069 4.320 0.003 0.000 0.267 300 A C 1.428 179.007 177.584 -0.008 0.000 1.139 300 A CA 1.689 53.722 52.037 -0.007 0.000 1.115 300 A CB -2.282 16.712 19.000 -0.011 0.000 1.133 300 A HN 1.559 nan 8.150 nan 0.000 0.920 301 A N -2.736 120.080 122.820 -0.007 0.000 1.470 301 A HA -0.135 4.187 4.320 0.003 0.000 0.224 301 A C 1.032 178.610 177.584 -0.010 0.000 0.453 301 A CA 2.729 54.762 52.037 -0.006 0.000 1.102 301 A CB -1.412 17.585 19.000 -0.005 0.000 1.462 301 A HN 2.433 nan 8.150 nan 0.000 0.719 302 E N -1.671 118.522 120.200 -0.012 0.000 3.086 302 E HA 0.149 4.501 4.350 0.003 0.000 0.194 302 E C 0.029 176.619 176.600 -0.016 0.000 1.026 302 E CA 0.800 57.191 56.400 -0.016 0.000 1.394 302 E CB -1.028 28.664 29.700 -0.013 0.000 1.066 302 E HN 0.585 nan 8.360 nan 0.000 0.377 303 Q N 0.221 120.011 119.800 -0.016 0.000 2.476 303 Q HA 0.117 4.459 4.340 0.003 0.000 0.215 303 Q C 1.273 177.262 176.000 -0.018 0.000 0.966 303 Q CA 0.851 56.646 55.803 -0.013 0.000 0.976 303 Q CB -0.400 28.332 28.738 -0.010 0.000 0.988 303 Q HN 0.642 nan 8.270 nan 0.000 0.526 304 G N 1.518 110.303 108.800 -0.025 0.000 3.284 304 G HA2 -0.393 3.568 3.960 0.003 0.000 0.351 304 G HA3 -0.393 3.568 3.960 0.003 0.000 0.351 304 G C 0.093 174.968 174.900 -0.043 0.000 1.232 304 G CA 0.213 45.294 45.100 -0.031 0.000 1.001 304 G HN 0.428 nan 8.290 nan 0.000 0.639 305 R N 2.642 123.124 120.500 -0.030 0.000 2.561 305 R HA 0.157 4.499 4.340 0.003 0.000 0.347 305 R C -2.139 174.142 176.300 -0.032 0.000 0.916 305 R CA -0.215 55.867 56.100 -0.029 0.000 1.063 305 R CB 0.173 30.467 30.300 -0.011 0.000 0.916 305 R HN 0.360 nan 8.270 nan 0.000 0.410 306 P HA 0.154 nan 4.420 nan 0.000 0.225 306 P C -2.054 175.250 177.300 0.007 0.000 1.830 306 P CA -1.443 61.636 63.100 -0.036 0.000 1.051 306 P CB 0.617 32.258 31.700 -0.098 0.000 1.929 307 P HA -0.307 nan 4.420 nan 0.000 0.272 307 P C 0.992 178.313 177.300 0.034 0.000 0.825 307 P CA 1.643 64.753 63.100 0.017 0.000 1.038 307 P CB -0.909 30.800 31.700 0.014 0.000 0.879 308 E N -0.029 120.190 120.200 0.033 0.000 2.526 308 E HA -0.173 4.178 4.350 0.003 0.000 0.206 308 E C 0.901 177.543 176.600 0.071 0.000 1.139 308 E CA 0.966 57.387 56.400 0.034 0.000 0.913 308 E CB -1.217 28.486 29.700 0.005 0.000 0.868 308 E HN 0.528 nan 8.360 nan 0.000 0.564 309 H N 0.740 119.785 119.070 -0.041 0.000 2.581 309 H HA 0.357 4.915 4.556 0.003 0.000 0.308 309 H C -0.899 174.416 175.328 -0.022 0.000 1.040 309 H CA -0.760 55.252 56.048 -0.059 0.000 1.231 309 H CB 0.834 30.554 29.762 -0.069 0.000 1.396 309 H HN -0.187 nan 8.280 nan 0.000 0.467 310 T N 3.587 118.457 114.554 0.525 0.000 4.667 310 T HA 0.039 4.391 4.350 0.003 0.000 0.229 310 T C -0.278 174.548 174.700 0.211 0.000 0.931 310 T CA -0.202 62.092 62.100 0.324 0.000 1.277 310 T CB -0.673 68.288 68.868 0.155 0.000 0.815 310 T HN 0.716 nan 8.240 nan 0.000 0.534 311 S N 1.999 117.720 115.700 0.036 0.000 2.563 311 S HA 0.372 4.844 4.470 0.003 0.000 0.284 311 S C 0.521 174.955 174.600 -0.276 0.000 1.331 311 S CA -0.253 57.815 58.200 -0.219 0.000 1.047 311 S CB 0.905 63.669 63.200 -0.727 0.000 0.859 311 S HN 0.212 nan 8.310 nan 0.000 0.514 312 K N 0.873 121.095 120.400 -0.297 0.000 2.399 312 K HA 0.419 4.741 4.320 0.003 0.000 0.247 312 K C -0.688 175.564 176.600 -0.580 0.000 1.036 312 K CA -0.461 55.614 56.287 -0.354 0.000 0.977 312 K CB -0.048 31.985 32.500 -0.779 0.000 1.272 312 K HN 0.717 nan 8.250 nan 0.000 0.501 313 F N 1.075 120.894 119.950 -0.218 0.000 2.530 313 F HA 0.221 4.750 4.527 0.003 0.000 0.318 313 F C 0.697 176.541 175.800 0.074 0.000 1.356 313 F CA -0.736 57.245 58.000 -0.032 0.000 1.135 313 F CB -0.233 38.780 39.000 0.021 0.000 1.315 313 F HN 0.378 nan 8.300 nan 0.000 0.549 314 Y N 0.720 121.191 120.300 0.285 0.000 2.114 314 Y HA -0.284 4.267 4.550 0.003 0.000 0.282 314 Y C 2.444 178.628 175.900 0.472 0.000 1.165 314 Y CA 1.419 59.752 58.100 0.389 0.000 1.148 314 Y CB -1.037 37.658 38.460 0.393 0.000 0.972 314 Y HN 0.393 nan 8.280 nan 0.000 0.504 315 A N 0.203 123.376 122.820 0.589 0.000 1.865 315 A HA -0.285 4.037 4.320 0.003 0.000 0.217 315 A C 2.335 180.078 177.584 0.264 0.000 1.191 315 A CA 2.220 54.523 52.037 0.443 0.000 0.623 315 A CB -0.841 18.366 19.000 0.345 0.000 0.826 315 A HN 0.448 nan 8.150 nan 0.000 0.444 316 K N -0.800 119.766 120.400 0.277 0.000 2.009 316 K HA -0.143 4.179 4.320 0.003 0.000 0.210 316 K C 2.038 178.748 176.600 0.184 0.000 1.049 316 K CA 1.635 58.057 56.287 0.226 0.000 0.929 316 K CB -0.629 32.032 32.500 0.270 0.000 0.714 316 K HN 0.396 nan 8.250 nan 0.000 0.440 317 G N -0.065 108.866 108.800 0.218 0.000 2.448 317 G HA2 -0.210 3.752 3.960 0.003 0.000 0.219 317 G HA3 -0.210 3.752 3.960 0.003 0.000 0.219 317 G C 1.419 176.407 174.900 0.148 0.000 1.127 317 G CA 0.878 46.082 45.100 0.173 0.000 0.766 317 G HN 0.461 nan 8.290 nan 0.000 0.552 318 A N -0.156 122.736 122.820 0.120 0.000 2.147 318 A HA 0.361 4.683 4.320 0.003 0.000 0.211 318 A C 2.135 179.717 177.584 -0.002 0.000 1.160 318 A CA 0.721 52.776 52.037 0.030 0.000 0.781 318 A CB -0.180 18.571 19.000 -0.415 0.000 0.842 318 A HN 0.294 nan 8.150 nan 0.000 0.475 319 L N 1.032 122.230 121.223 -0.041 0.000 2.030 319 L HA -0.367 3.974 4.340 0.003 0.000 0.222 319 L C 2.754 179.419 176.870 -0.342 0.000 1.082 319 L CA 2.951 57.703 54.840 -0.146 0.000 0.785 319 L CB -0.848 41.166 42.059 -0.075 0.000 0.895 319 L HN 0.710 nan 8.230 nan 0.000 0.439 320 Q N -2.957 116.581 119.800 -0.435 0.000 2.234 320 Q HA -0.244 4.098 4.340 0.003 0.000 0.206 320 Q C 1.760 177.505 176.000 -0.424 0.000 0.980 320 Q CA 2.245 57.697 55.803 -0.586 0.000 0.869 320 Q CB -0.634 27.838 28.738 -0.444 0.000 0.912 320 Q HN 0.615 nan 8.270 nan 0.000 0.436 321 Y N 0.270 120.488 120.300 -0.138 0.000 2.479 321 Y HA 0.176 4.728 4.550 0.003 0.000 0.283 321 Y C 1.930 177.742 175.900 -0.148 0.000 1.109 321 Y CA 0.085 58.150 58.100 -0.058 0.000 1.239 321 Y CB 0.172 38.717 38.460 0.142 0.000 1.108 321 Y HN -0.033 nan 8.280 nan 0.000 0.548 322 L N -1.052 120.121 121.223 -0.082 0.000 2.027 322 L HA -0.171 4.170 4.340 0.003 0.000 0.206 322 L C 2.216 179.005 176.870 -0.134 0.000 1.074 322 L CA 0.833 55.559 54.840 -0.189 0.000 0.745 322 L CB -0.865 41.022 42.059 -0.286 0.000 0.898 322 L HN 0.063 nan 8.230 nan 0.000 0.433 323 V N 0.653 120.486 119.914 -0.134 0.000 2.219 323 V HA -0.207 3.915 4.120 0.003 0.000 0.248 323 V C -0.081 175.936 176.094 -0.129 0.000 1.053 323 V CA 2.430 64.663 62.300 -0.113 0.000 1.009 323 V CB -2.032 29.742 31.823 -0.081 0.000 0.636 323 V HN 0.372 nan 8.190 nan 0.000 0.445 324 P HA -0.180 nan 4.420 nan 0.000 0.218 324 P C 1.758 178.989 177.300 -0.114 0.000 1.146 324 P CA 1.789 64.835 63.100 -0.089 0.000 0.813 324 P CB -0.063 31.616 31.700 -0.035 0.000 0.778 325 I N -1.092 119.417 120.570 -0.103 0.000 2.333 325 I HA -0.163 4.008 4.170 0.003 0.000 0.246 325 I C 2.682 178.717 176.117 -0.137 0.000 1.106 325 I CA 0.948 62.187 61.300 -0.101 0.000 1.411 325 I CB -0.538 37.411 38.000 -0.085 0.000 1.082 325 I HN -0.140 nan 8.210 nan 0.000 0.420 326 L N 0.369 121.505 121.223 -0.144 0.000 2.027 326 L HA -0.207 4.135 4.340 0.003 0.000 0.206 326 L C 2.888 179.617 176.870 -0.236 0.000 1.074 326 L CA 2.085 56.834 54.840 -0.151 0.000 0.745 326 L CB -0.987 41.007 42.059 -0.108 0.000 0.898 326 L HN 0.395 nan 8.230 nan 0.000 0.433 327 T N -2.128 112.218 114.554 -0.347 0.000 2.833 327 T HA -0.278 4.073 4.350 0.003 0.000 0.269 327 T C 1.820 176.131 174.700 -0.647 0.000 1.054 327 T CA 1.654 63.370 62.100 -0.640 0.000 1.135 327 T CB -0.122 68.043 68.868 -1.172 0.000 0.869 327 T HN 0.208 nan 8.240 nan 0.000 0.466 328 Q N 1.048 120.595 119.800 -0.422 0.000 2.119 328 Q HA -0.020 4.322 4.340 0.003 0.000 0.201 328 Q C 2.269 178.119 176.000 -0.249 0.000 0.972 328 Q CA 2.227 57.874 55.803 -0.261 0.000 0.847 328 Q CB -1.103 27.563 28.738 -0.120 0.000 0.903 328 Q HN 0.585 nan 8.270 nan 0.000 0.433 329 T N 0.956 115.379 114.554 -0.219 0.000 2.881 329 T HA -0.047 4.305 4.350 0.003 0.000 0.270 329 T C 1.411 175.984 174.700 -0.212 0.000 1.068 329 T CA 0.998 62.984 62.100 -0.191 0.000 1.131 329 T CB -0.160 68.612 68.868 -0.161 0.000 0.871 329 T HN 0.264 nan 8.240 nan 0.000 0.479 330 L N 0.841 121.923 121.223 -0.234 0.000 2.549 330 L HA -0.038 4.303 4.340 0.003 0.000 0.229 330 L C 2.447 179.176 176.870 -0.235 0.000 1.158 330 L CA 0.777 55.495 54.840 -0.203 0.000 0.842 330 L CB -0.651 41.303 42.059 -0.175 0.000 0.952 330 L HN 0.250 nan 8.230 nan 0.000 0.452 331 T N -1.344 113.019 114.554 -0.319 0.000 3.054 331 T HA -0.001 4.351 4.350 0.003 0.000 0.259 331 T C 0.830 175.317 174.700 -0.355 0.000 1.092 331 T CA 0.347 62.173 62.100 -0.456 0.000 1.121 331 T CB 0.057 68.500 68.868 -0.708 0.000 0.912 331 T HN 0.187 nan 8.240 nan 0.000 0.489 332 K N 3.619 123.870 120.400 -0.248 0.000 2.110 332 K HA 0.168 4.490 4.320 0.003 0.000 0.260 332 K C 0.150 176.664 176.600 -0.143 0.000 1.126 332 K CA -0.095 56.084 56.287 -0.180 0.000 1.005 332 K CB -0.095 32.319 32.500 -0.144 0.000 1.336 332 K HN 0.522 nan 8.250 nan 0.000 0.369 333 Q N 0.879 120.593 119.800 -0.144 0.000 2.522 333 Q HA 0.430 4.772 4.340 0.003 0.000 0.285 333 Q C -1.873 174.161 176.000 0.055 0.000 0.982 333 Q CA -1.233 54.549 55.803 -0.036 0.000 0.805 333 Q CB 1.897 30.638 28.738 0.005 0.000 1.457 333 Q HN 0.304 nan 8.270 nan 0.000 0.394 334 D N -1.251 119.275 120.400 0.209 0.000 2.655 334 D HA 0.157 4.799 4.640 0.003 0.000 0.229 334 D C -0.097 176.360 176.300 0.262 0.000 1.229 334 D CA -0.763 53.432 54.000 0.325 0.000 0.807 334 D CB 1.177 42.076 40.800 0.165 0.000 1.514 334 D HN 0.607 nan 8.370 nan 0.000 0.444 335 E N 0.295 120.615 120.200 0.200 0.000 2.208 335 E HA -0.332 4.020 4.350 0.003 0.000 0.202 335 E C 1.048 177.662 176.600 0.024 0.000 1.014 335 E CA 1.384 57.791 56.400 0.011 0.000 0.819 335 E CB -0.224 29.437 29.700 -0.066 0.000 0.735 335 E HN 0.517 nan 8.360 nan 0.000 0.469 336 N N 1.108 119.838 118.700 0.050 0.000 2.519 336 N HA -0.094 4.648 4.740 0.003 0.000 0.186 336 N C -0.324 175.205 175.510 0.032 0.000 1.062 336 N CA 0.598 53.668 53.050 0.033 0.000 0.910 336 N CB 0.177 38.686 38.487 0.037 0.000 0.958 336 N HN 0.007 nan 8.380 nan 0.000 0.445 337 D N -0.202 120.225 120.400 0.046 0.000 2.313 337 D HA 0.091 4.733 4.640 0.003 0.000 0.247 337 D C -0.776 175.539 176.300 0.025 0.000 1.094 337 D CA -0.049 53.973 54.000 0.037 0.000 0.925 337 D CB 0.778 41.608 40.800 0.049 0.000 1.188 337 D HN 0.156 nan 8.370 nan 0.000 0.430 338 D N -0.164 120.248 120.400 0.020 0.000 2.163 338 D HA 0.039 4.680 4.640 0.003 0.000 0.248 338 D C 0.479 176.786 176.300 0.013 0.000 1.035 338 D CA -0.444 53.566 54.000 0.016 0.000 0.872 338 D CB 1.485 42.298 40.800 0.022 0.000 1.183 338 D HN 0.366 nan 8.370 nan 0.000 0.445 339 D N 1.137 121.540 120.400 0.005 0.000 2.182 339 D HA -0.233 4.409 4.640 0.003 0.000 0.201 339 D C 0.559 176.857 176.300 -0.004 0.000 0.986 339 D CA 1.222 55.215 54.000 -0.011 0.000 0.847 339 D CB 0.037 40.827 40.800 -0.017 0.000 0.942 339 D HN 0.374 nan 8.370 nan 0.000 0.467 340 D N -1.050 119.364 120.400 0.025 0.000 2.463 340 D HA 0.104 4.746 4.640 0.003 0.000 0.224 340 D C -0.649 175.711 176.300 0.099 0.000 1.174 340 D CA -0.591 53.443 54.000 0.056 0.000 0.829 340 D CB -0.386 40.443 40.800 0.048 0.000 0.993 340 D HN -0.012 nan 8.370 nan 0.000 0.497 341 D N 0.584 121.034 120.400 0.083 0.000 2.308 341 D HA 0.022 4.664 4.640 0.003 0.000 0.251 341 D C -0.566 175.835 176.300 0.169 0.000 1.127 341 D CA -0.308 53.758 54.000 0.110 0.000 0.876 341 D CB 0.700 41.535 40.800 0.059 0.000 1.176 341 D HN 0.243 nan 8.370 nan 0.000 0.446 342 W N 4.968 126.260 121.300 -0.013 0.000 2.497 342 W HA 0.066 4.727 4.660 0.003 0.000 0.354 342 W C -0.587 175.926 176.519 -0.011 0.000 1.111 342 W CA -0.527 56.811 57.345 -0.013 0.000 1.510 342 W CB -0.177 29.279 29.460 -0.007 0.000 1.466 342 W HN 0.399 nan 8.180 nan 0.000 0.409 343 N N 4.079 122.538 118.700 -0.402 0.000 2.629 343 N HA 0.499 5.240 4.740 0.003 0.000 0.279 343 N C -2.503 172.710 175.510 -0.496 0.000 1.344 343 N CA -1.966 50.868 53.050 -0.359 0.000 0.789 343 N CB 0.997 39.380 38.487 -0.174 0.000 1.508 343 N HN -0.098 nan 8.380 nan 0.000 0.516 344 P HA -0.225 nan 4.420 nan 0.000 0.216 344 P C 1.190 178.314 177.300 -0.293 0.000 1.157 344 P CA 1.432 64.353 63.100 -0.299 0.000 0.880 344 P CB -0.002 31.585 31.700 -0.187 0.000 0.791 345 C N -0.123 119.031 119.300 -0.243 0.000 2.398 345 C HA -0.175 4.286 4.460 0.003 0.000 0.276 345 C C 2.634 177.482 174.990 -0.236 0.000 1.222 345 C CA 1.620 60.512 59.018 -0.209 0.000 1.746 345 C CB -1.616 26.027 27.740 -0.163 0.000 2.039 345 C HN 0.085 nan 8.230 nan 0.000 0.470 346 K N 0.767 120.988 120.400 -0.299 0.000 2.097 346 K HA 0.084 4.406 4.320 0.003 0.000 0.205 346 K C 2.108 178.473 176.600 -0.391 0.000 1.050 346 K CA 1.678 57.792 56.287 -0.289 0.000 0.938 346 K CB -0.457 31.907 32.500 -0.226 0.000 0.718 346 K HN 0.523 nan 8.250 nan 0.000 0.442 347 A N 0.558 122.957 122.820 -0.702 0.000 1.930 347 A HA -0.027 4.295 4.320 0.003 0.000 0.217 347 A C 2.332 179.810 177.584 -0.177 0.000 1.175 347 A CA 1.741 53.439 52.037 -0.565 0.000 0.627 347 A CB -0.938 17.688 19.000 -0.622 0.000 0.815 347 A HN 0.411 nan 8.150 nan 0.000 0.443 348 A N -0.352 122.359 122.820 -0.182 0.000 1.902 348 A HA 0.102 4.424 4.320 0.003 0.000 0.217 348 A C 2.400 179.949 177.584 -0.058 0.000 1.181 348 A CA 1.945 53.920 52.037 -0.102 0.000 0.623 348 A CB -1.372 17.547 19.000 -0.135 0.000 0.818 348 A HN 0.710 nan 8.150 nan 0.000 0.443 349 G N -0.607 108.149 108.800 -0.073 0.000 2.418 349 G HA2 -0.122 3.839 3.960 0.003 0.000 0.217 349 G HA3 -0.122 3.839 3.960 0.003 0.000 0.217 349 G C 1.503 176.434 174.900 0.052 0.000 1.158 349 G CA 1.230 46.315 45.100 -0.025 0.000 0.771 349 G HN 0.322 nan 8.290 nan 0.000 0.545 350 V N 0.039 120.001 119.914 0.080 0.000 2.407 350 V HA -0.198 3.924 4.120 0.003 0.000 0.248 350 V C 2.921 179.094 176.094 0.132 0.000 1.055 350 V CA 1.688 64.080 62.300 0.153 0.000 1.049 350 V CB -0.465 31.520 31.823 0.271 0.000 0.662 350 V HN 0.586 nan 8.190 nan 0.000 0.455 351 C N -0.661 118.703 119.300 0.106 0.000 2.446 351 C HA -0.070 4.392 4.460 0.003 0.000 0.277 351 C C 2.616 177.661 174.990 0.093 0.000 1.275 351 C CA 0.860 59.944 59.018 0.111 0.000 1.727 351 C CB -1.004 26.799 27.740 0.106 0.000 2.010 351 C HN 0.561 nan 8.230 nan 0.000 0.486 352 L N 0.161 121.422 121.223 0.064 0.000 1.989 352 L HA -0.229 4.113 4.340 0.003 0.000 0.211 352 L C 2.745 179.663 176.870 0.081 0.000 1.071 352 L CA 2.094 56.969 54.840 0.057 0.000 0.749 352 L CB -0.442 41.641 42.059 0.039 0.000 0.890 352 L HN 0.411 nan 8.230 nan 0.000 0.431 353 M N -1.046 118.614 119.600 0.100 0.000 2.213 353 M HA -0.256 4.225 4.480 0.003 0.000 0.263 353 M C 2.202 178.555 176.300 0.089 0.000 1.062 353 M CA 1.616 56.979 55.300 0.105 0.000 1.105 353 M CB -0.255 32.429 32.600 0.140 0.000 1.385 353 M HN 0.277 nan 8.290 nan 0.000 0.417 354 L N -0.284 120.996 121.223 0.095 0.000 2.109 354 L HA -0.174 4.167 4.340 0.003 0.000 0.207 354 L C 2.258 179.183 176.870 0.091 0.000 1.086 354 L CA 0.886 55.779 54.840 0.089 0.000 0.760 354 L CB -0.415 41.703 42.059 0.098 0.000 0.910 354 L HN 0.327 nan 8.230 nan 0.000 0.437 355 L N -0.617 120.666 121.223 0.099 0.000 2.141 355 L HA -0.169 4.173 4.340 0.003 0.000 0.209 355 L C 2.844 179.769 176.870 0.091 0.000 1.094 355 L CA 0.885 55.787 54.840 0.104 0.000 0.763 355 L CB -0.631 41.485 42.059 0.095 0.000 0.908 355 L HN 0.236 nan 8.230 nan 0.000 0.437 356 A N 0.312 123.179 122.820 0.077 0.000 1.883 356 A HA -0.252 4.070 4.320 0.003 0.000 0.217 356 A C 2.411 180.027 177.584 0.055 0.000 1.186 356 A CA 2.538 54.612 52.037 0.062 0.000 0.624 356 A CB -0.962 18.068 19.000 0.049 0.000 0.822 356 A HN 0.512 nan 8.150 nan 0.000 0.444 357 T N -4.419 110.168 114.554 0.054 0.000 3.043 357 T HA -0.086 4.265 4.350 0.003 0.000 0.263 357 T C 1.848 176.582 174.700 0.057 0.000 1.094 357 T CA 1.126 63.254 62.100 0.046 0.000 1.127 357 T CB -0.842 68.049 68.868 0.038 0.000 0.905 357 T HN 0.437 nan 8.240 nan 0.000 0.490 358 C N 0.823 120.166 119.300 0.072 0.000 2.475 358 C HA 0.280 4.742 4.460 0.003 0.000 0.279 358 C C 1.501 176.557 174.990 0.111 0.000 1.322 358 C CA 0.009 59.078 59.018 0.085 0.000 1.734 358 C CB -1.107 26.692 27.740 0.097 0.000 2.005 358 C HN 0.715 nan 8.230 nan 0.000 0.495 359 C N 1.674 121.041 119.300 0.111 0.000 2.975 359 C HA 0.301 4.762 4.460 0.003 0.000 0.234 359 C C 1.254 176.299 174.990 0.092 0.000 1.666 359 C CA -0.716 58.374 59.018 0.120 0.000 1.534 359 C CB -1.586 26.239 27.740 0.142 0.000 2.642 359 C HN 0.627 nan 8.230 nan 0.000 0.516 360 E N 2.201 122.445 120.200 0.073 0.000 2.444 360 E HA -0.323 4.028 4.350 0.003 0.000 0.222 360 E C 1.336 177.962 176.600 0.043 0.000 1.110 360 E CA 2.310 58.741 56.400 0.051 0.000 0.873 360 E CB 0.072 29.796 29.700 0.041 0.000 0.749 360 E HN 0.822 nan 8.360 nan 0.000 0.478 361 D N -0.886 119.543 120.400 0.049 0.000 2.932 361 D HA -0.046 4.596 4.640 0.003 0.000 0.294 361 D C 1.027 177.349 176.300 0.037 0.000 1.119 361 D CA 0.357 54.378 54.000 0.034 0.000 0.980 361 D CB -0.690 40.123 40.800 0.022 0.000 1.361 361 D HN 0.004 nan 8.370 nan 0.000 0.466 362 D N 1.491 121.926 120.400 0.057 0.000 2.315 362 D HA -0.117 4.524 4.640 0.003 0.000 0.211 362 D C 1.948 178.326 176.300 0.129 0.000 0.977 362 D CA 0.917 54.958 54.000 0.068 0.000 0.894 362 D CB -0.356 40.529 40.800 0.142 0.000 0.910 362 D HN 0.355 nan 8.370 nan 0.000 0.490 363 I N -0.326 120.327 120.570 0.137 0.000 2.193 363 I HA -0.193 3.978 4.170 0.003 0.000 0.240 363 I C 2.330 178.513 176.117 0.110 0.000 1.084 363 I CA 0.525 61.924 61.300 0.165 0.000 1.365 363 I CB -1.134 36.933 38.000 0.112 0.000 1.064 363 I HN -0.097 nan 8.210 nan 0.000 0.410 364 V N 1.483 121.432 119.914 0.060 0.000 2.250 364 V HA -0.256 3.865 4.120 0.003 0.000 0.253 364 V C 0.138 176.251 176.094 0.033 0.000 1.065 364 V CA 2.640 64.971 62.300 0.052 0.000 1.039 364 V CB -2.343 29.500 31.823 0.034 0.000 0.647 364 V HN 0.341 nan 8.190 nan 0.000 0.446 365 P HA -0.121 nan 4.420 nan 0.000 0.217 365 P C 1.360 178.595 177.300 -0.109 0.000 1.150 365 P CA 1.609 64.635 63.100 -0.123 0.000 0.832 365 P CB -0.137 31.410 31.700 -0.255 0.000 0.787 366 H N -2.064 117.034 119.070 0.045 0.000 2.470 366 H HA 0.015 4.573 4.556 0.003 0.000 0.289 366 H C 1.569 176.938 175.328 0.067 0.000 1.033 366 H CA 0.515 56.587 56.048 0.040 0.000 1.331 366 H CB -0.063 29.711 29.762 0.020 0.000 1.414 366 H HN -0.058 nan 8.280 nan 0.000 0.545 367 V N -0.096 119.934 119.914 0.193 0.000 2.685 367 V HA -0.106 4.015 4.120 0.003 0.000 0.244 367 V C 2.056 178.290 176.094 0.235 0.000 1.054 367 V CA 0.438 62.853 62.300 0.192 0.000 1.076 367 V CB -0.227 31.694 31.823 0.163 0.000 0.725 367 V HN 0.218 nan 8.190 nan 0.000 0.467 368 L N 0.908 122.243 121.223 0.187 0.000 2.051 368 L HA -0.119 4.223 4.340 0.003 0.000 0.214 368 L C -0.097 176.871 176.870 0.163 0.000 1.076 368 L CA 2.583 57.529 54.840 0.177 0.000 0.758 368 L CB -1.704 40.428 42.059 0.123 0.000 0.890 368 L HN 0.273 nan 8.230 nan 0.000 0.433 369 P HA -0.237 nan 4.420 nan 0.000 0.215 369 P C 1.778 179.176 177.300 0.163 0.000 1.157 369 P CA 1.501 64.677 63.100 0.127 0.000 0.874 369 P CB -0.202 31.575 31.700 0.127 0.000 0.790 370 F N -0.057 119.969 119.950 0.126 0.000 2.134 370 F HA -0.144 4.385 4.527 0.003 0.000 0.299 370 F C 2.006 177.940 175.800 0.223 0.000 1.097 370 F CA 1.339 59.466 58.000 0.211 0.000 1.264 370 F CB -0.640 38.476 39.000 0.193 0.000 1.001 370 F HN -0.238 nan 8.300 nan 0.000 0.479 371 I N 0.358 121.123 120.570 0.325 0.000 2.163 371 I HA -0.331 3.841 4.170 0.003 0.000 0.243 371 I C 2.284 178.419 176.117 0.030 0.000 1.085 371 I CA 1.628 63.054 61.300 0.210 0.000 1.347 371 I CB -0.580 37.570 38.000 0.250 0.000 1.044 371 I HN 0.091 nan 8.210 nan 0.000 0.408 372 K N 0.348 120.755 120.400 0.011 0.000 2.148 372 K HA -0.197 4.124 4.320 0.003 0.000 0.204 372 K C 2.055 178.574 176.600 -0.135 0.000 1.050 372 K CA 1.142 57.398 56.287 -0.052 0.000 0.942 372 K CB -0.105 32.377 32.500 -0.029 0.000 0.724 372 K HN 0.336 nan 8.250 nan 0.000 0.446 373 E N 0.048 120.116 120.200 -0.219 0.000 2.216 373 E HA -0.140 4.212 4.350 0.003 0.000 0.192 373 E C 0.716 176.910 176.600 -0.677 0.000 0.988 373 E CA 1.008 57.143 56.400 -0.443 0.000 0.834 373 E CB 0.226 29.601 29.700 -0.541 0.000 0.772 373 E HN 0.457 nan 8.360 nan 0.000 0.479 374 H N -1.260 117.629 119.070 -0.302 0.000 2.893 374 H HA 0.136 4.693 4.556 0.003 0.000 0.270 374 H C 1.090 176.345 175.328 -0.122 0.000 1.095 374 H CA -0.199 55.697 56.048 -0.254 0.000 1.186 374 H CB 0.623 30.139 29.762 -0.410 0.000 1.562 374 H HN 0.084 nan 8.280 nan 0.000 0.536 375 I N 1.939 122.494 120.570 -0.025 0.000 2.953 375 I HA -0.204 3.968 4.170 0.003 0.000 0.271 375 I C 1.335 177.457 176.117 0.009 0.000 1.286 375 I CA 1.497 62.800 61.300 0.005 0.000 1.449 375 I CB -0.085 37.895 38.000 -0.034 0.000 1.086 375 I HN 0.276 nan 8.210 nan 0.000 0.483 376 K N -1.159 119.237 120.400 -0.007 0.000 2.520 376 K HA 0.167 4.488 4.320 0.003 0.000 0.206 376 K C 0.514 177.120 176.600 0.010 0.000 1.122 376 K CA -0.446 55.841 56.287 0.001 0.000 1.045 376 K CB -0.417 32.068 32.500 -0.025 0.000 0.932 376 K HN 0.063 nan 8.250 nan 0.000 0.571 377 N N 2.906 121.622 118.700 0.026 0.000 2.356 377 N HA 0.008 4.750 4.740 0.003 0.000 0.252 377 N C -1.688 173.860 175.510 0.063 0.000 1.241 377 N CA -0.893 52.179 53.050 0.037 0.000 0.861 377 N CB 1.151 39.709 38.487 0.118 0.000 1.075 377 N HN -0.076 nan 8.380 nan 0.000 0.461 378 P HA -0.076 nan 4.420 nan 0.000 0.218 378 P C -0.261 177.102 177.300 0.104 0.000 1.148 378 P CA 0.999 64.135 63.100 0.061 0.000 0.822 378 P CB 0.105 31.824 31.700 0.030 0.000 0.784 379 D N -0.320 120.132 120.400 0.087 0.000 2.339 379 D HA -0.045 4.596 4.640 0.003 0.000 0.256 379 D C 1.186 177.549 176.300 0.105 0.000 1.214 379 D CA -0.535 53.513 54.000 0.080 0.000 0.877 379 D CB 0.212 41.051 40.800 0.066 0.000 1.111 379 D HN 0.180 nan 8.370 nan 0.000 0.478 380 W N 5.220 126.575 121.300 0.092 0.000 2.374 380 W HA -0.158 4.503 4.660 0.003 0.000 0.288 380 W C 1.163 177.724 176.519 0.071 0.000 1.218 380 W CA 0.053 57.442 57.345 0.074 0.000 1.245 380 W CB -0.684 28.804 29.460 0.047 0.000 1.126 380 W HN 0.364 nan 8.180 nan 0.000 0.545 381 R N 0.070 120.057 120.500 -0.855 0.000 2.083 381 R HA -0.204 4.138 4.340 0.003 0.000 0.237 381 R C 2.232 178.315 176.300 -0.362 0.000 1.137 381 R CA 2.323 57.917 56.100 -0.844 0.000 0.951 381 R CB -1.127 28.595 30.300 -0.963 0.000 0.851 381 R HN 0.174 nan 8.270 nan 0.000 0.434 382 Y N 0.239 120.412 120.300 -0.211 0.000 2.263 382 Y HA -0.105 4.446 4.550 0.003 0.000 0.292 382 Y C 2.642 178.537 175.900 -0.009 0.000 1.130 382 Y CA 1.197 59.222 58.100 -0.125 0.000 1.179 382 Y CB -0.143 38.206 38.460 -0.185 0.000 0.998 382 Y HN -0.021 nan 8.280 nan 0.000 0.532 383 R N 0.418 121.022 120.500 0.174 0.000 2.073 383 R HA -0.187 4.154 4.340 0.003 0.000 0.234 383 R C 2.194 178.597 176.300 0.172 0.000 1.134 383 R CA 1.883 58.085 56.100 0.170 0.000 0.952 383 R CB -0.460 29.950 30.300 0.184 0.000 0.850 383 R HN 0.341 nan 8.270 nan 0.000 0.433 384 D N -0.218 120.293 120.400 0.184 0.000 2.117 384 D HA -0.163 4.478 4.640 0.003 0.000 0.197 384 D C 1.609 177.999 176.300 0.149 0.000 0.987 384 D CA 1.459 55.571 54.000 0.188 0.000 0.829 384 D CB 0.054 41.004 40.800 0.250 0.000 0.961 384 D HN 0.362 nan 8.370 nan 0.000 0.460 385 A N 1.140 124.023 122.820 0.106 0.000 1.940 385 A HA -0.072 4.250 4.320 0.003 0.000 0.219 385 A C 2.455 180.235 177.584 0.325 0.000 1.176 385 A CA 2.364 54.487 52.037 0.143 0.000 0.631 385 A CB -0.816 18.246 19.000 0.102 0.000 0.814 385 A HN 0.366 nan 8.150 nan 0.000 0.446 386 A N -0.506 122.518 122.820 0.341 0.000 1.877 386 A HA -0.026 4.295 4.320 0.003 0.000 0.216 386 A C 2.244 180.010 177.584 0.302 0.000 1.186 386 A CA 1.942 54.184 52.037 0.341 0.000 0.620 386 A CB -1.011 18.093 19.000 0.172 0.000 0.822 386 A HN 0.450 nan 8.150 nan 0.000 0.443 387 V N -0.577 119.486 119.914 0.248 0.000 2.295 387 V HA -0.288 3.834 4.120 0.003 0.000 0.246 387 V C 2.565 178.873 176.094 0.357 0.000 1.049 387 V CA 2.336 64.802 62.300 0.276 0.000 1.024 387 V CB -0.786 31.174 31.823 0.228 0.000 0.648 387 V HN 0.654 nan 8.190 nan 0.000 0.447 388 M N 1.279 121.050 119.600 0.285 0.000 2.080 388 M HA -0.113 4.369 4.480 0.003 0.000 0.260 388 M C 2.085 178.566 176.300 0.303 0.000 1.068 388 M CA 2.268 57.728 55.300 0.266 0.000 1.109 388 M CB -0.855 31.794 32.600 0.081 0.000 1.342 388 M HN 0.254 nan 8.290 nan 0.000 0.405 389 A N -0.548 122.428 122.820 0.259 0.000 1.908 389 A HA -0.198 4.124 4.320 0.003 0.000 0.218 389 A C 2.149 179.901 177.584 0.280 0.000 1.181 389 A CA 1.911 54.086 52.037 0.230 0.000 0.627 389 A CB -1.467 17.674 19.000 0.235 0.000 0.818 389 A HN 0.649 nan 8.150 nan 0.000 0.445 390 F N 1.239 121.305 119.950 0.193 0.000 2.126 390 F HA -0.091 4.438 4.527 0.003 0.000 0.299 390 F C 2.246 178.133 175.800 0.144 0.000 1.096 390 F CA 1.516 59.609 58.000 0.156 0.000 1.255 390 F CB -0.681 38.403 39.000 0.140 0.000 0.997 390 F HN 0.188 nan 8.300 nan 0.000 0.479 391 G N -1.489 107.413 108.800 0.171 0.000 2.572 391 G HA2 -0.186 3.776 3.960 0.003 0.000 0.216 391 G HA3 -0.186 3.776 3.960 0.003 0.000 0.216 391 G C 1.462 176.394 174.900 0.053 0.000 1.133 391 G CA 0.819 45.935 45.100 0.027 0.000 0.791 391 G HN 0.481 nan 8.290 nan 0.000 0.538 392 C N 0.876 120.292 119.300 0.192 0.000 2.522 392 C HA 0.203 4.665 4.460 0.003 0.000 0.271 392 C C 2.133 177.155 174.990 0.053 0.000 1.425 392 C CA 0.098 59.222 59.018 0.176 0.000 1.751 392 C CB -1.082 26.767 27.740 0.180 0.000 1.775 392 C HN 0.657 nan 8.230 nan 0.000 0.557 393 I N -3.136 117.412 120.570 -0.035 0.000 4.025 393 I HA 0.241 4.413 4.170 0.003 0.000 0.336 393 I C 1.078 177.117 176.117 -0.131 0.000 1.390 393 I CA 0.388 61.653 61.300 -0.059 0.000 1.099 393 I CB -0.353 37.624 38.000 -0.038 0.000 1.049 393 I HN 0.083 nan 8.210 nan 0.000 0.394 394 L N 0.866 121.977 121.223 -0.187 0.000 2.591 394 L HA 0.282 4.624 4.340 0.003 0.000 0.228 394 L C 0.636 177.435 176.870 -0.118 0.000 1.133 394 L CA 0.561 55.280 54.840 -0.201 0.000 0.880 394 L CB -0.138 41.756 42.059 -0.276 0.000 1.033 394 L HN 0.284 nan 8.230 nan 0.000 0.450 395 E N 0.234 120.388 120.200 -0.076 0.000 2.173 395 E HA 0.402 4.753 4.350 0.003 0.000 0.249 395 E C 0.402 176.994 176.600 -0.014 0.000 0.923 395 E CA 0.233 56.608 56.400 -0.042 0.000 0.754 395 E CB 1.062 30.746 29.700 -0.025 0.000 1.177 395 E HN 0.258 nan 8.360 nan 0.000 0.430 396 G N 4.301 113.093 108.800 -0.014 0.000 3.638 396 G HA2 -0.150 3.812 3.960 0.003 0.000 0.196 396 G HA3 -0.150 3.812 3.960 0.003 0.000 0.196 396 G C -2.263 172.640 174.900 0.005 0.000 1.315 396 G CA -0.739 44.363 45.100 0.004 0.000 0.944 396 G HN 0.389 nan 8.290 nan 0.000 0.434 397 P HA 0.307 nan 4.420 nan 0.000 0.271 397 P C -0.006 177.293 177.300 -0.002 0.000 1.238 397 P CA 0.017 63.118 63.100 0.002 0.000 0.794 397 P CB 0.356 32.053 31.700 -0.005 0.000 0.959 398 E N 2.335 122.536 120.200 0.002 0.000 2.452 398 E HA -0.037 4.315 4.350 0.003 0.000 0.261 398 E C -1.315 175.283 176.600 -0.004 0.000 0.987 398 E CA -1.095 55.306 56.400 0.001 0.000 0.926 398 E CB -0.214 29.488 29.700 0.004 0.000 0.934 398 E HN 0.349 nan 8.360 nan 0.000 0.452 399 P HA -0.108 nan 4.420 nan 0.000 0.234 399 P C 0.576 177.874 177.300 -0.003 0.000 1.162 399 P CA 0.900 63.994 63.100 -0.009 0.000 0.759 399 P CB 0.321 32.015 31.700 -0.009 0.000 0.813 400 S N -2.955 112.746 115.700 0.002 0.000 2.701 400 S HA 0.191 4.663 4.470 0.003 0.000 0.242 400 S C 1.457 176.065 174.600 0.014 0.000 1.025 400 S CA -0.420 57.784 58.200 0.008 0.000 1.016 400 S CB -0.047 63.157 63.200 0.007 0.000 0.977 400 S HN -0.123 nan 8.310 nan 0.000 0.546 401 Q N 0.605 120.413 119.800 0.014 0.000 2.352 401 Q HA 0.410 4.751 4.340 0.003 0.000 0.212 401 Q C 1.492 177.513 176.000 0.035 0.000 0.888 401 Q CA 0.274 56.091 55.803 0.023 0.000 0.934 401 Q CB 0.192 28.941 28.738 0.019 0.000 1.093 401 Q HN 0.567 nan 8.270 nan 0.000 0.523 402 L N -0.178 121.058 121.223 0.022 0.000 2.202 402 L HA -0.032 4.310 4.340 0.003 0.000 0.205 402 L C 2.200 179.100 176.870 0.049 0.000 1.083 402 L CA 0.690 55.543 54.840 0.021 0.000 0.790 402 L CB -0.167 41.874 42.059 -0.029 0.000 0.942 402 L HN 0.010 nan 8.230 nan 0.000 0.452 403 K N 0.645 121.064 120.400 0.033 0.000 1.987 403 K HA -0.167 4.155 4.320 0.003 0.000 0.216 403 K C -0.526 176.106 176.600 0.054 0.000 1.051 403 K CA 1.800 58.109 56.287 0.038 0.000 0.942 403 K CB -1.410 31.103 32.500 0.023 0.000 0.722 403 K HN 0.257 nan 8.250 nan 0.000 0.444 404 P HA -0.143 nan 4.420 nan 0.000 0.225 404 P C 1.253 178.593 177.300 0.067 0.000 1.148 404 P CA 1.350 64.478 63.100 0.047 0.000 0.779 404 P CB 0.078 31.799 31.700 0.035 0.000 0.780 405 L N -0.401 120.884 121.223 0.103 0.000 2.200 405 L HA -0.017 4.324 4.340 0.003 0.000 0.200 405 L C 2.715 179.724 176.870 0.231 0.000 1.072 405 L CA 0.756 55.692 54.840 0.160 0.000 0.787 405 L CB -0.649 41.540 42.059 0.218 0.000 0.957 405 L HN -0.162 nan 8.230 nan 0.000 0.459 406 V N -2.405 117.681 119.914 0.287 0.000 2.809 406 V HA -0.163 3.959 4.120 0.003 0.000 0.256 406 V C 1.951 178.142 176.094 0.160 0.000 1.080 406 V CA 1.315 63.828 62.300 0.357 0.000 1.102 406 V CB -0.439 31.536 31.823 0.254 0.000 0.705 406 V HN 0.398 nan 8.190 nan 0.000 0.475 407 I N -0.435 120.196 120.570 0.102 0.000 3.251 407 I HA -0.043 4.128 4.170 0.003 0.000 0.277 407 I C 2.365 178.503 176.117 0.034 0.000 1.268 407 I CA 0.778 62.112 61.300 0.056 0.000 1.449 407 I CB 0.058 38.083 38.000 0.043 0.000 1.083 407 I HN 0.374 nan 8.210 nan 0.000 0.464 408 Q N 0.714 120.533 119.800 0.033 0.000 2.304 408 Q HA 0.045 4.386 4.340 0.003 0.000 0.204 408 Q C 2.011 177.987 176.000 -0.040 0.000 0.936 408 Q CA 1.301 57.105 55.803 0.000 0.000 0.878 408 Q CB 0.323 29.064 28.738 0.006 0.000 0.983 408 Q HN 0.522 nan 8.270 nan 0.000 0.516 409 A N 0.667 123.438 122.820 -0.080 0.000 2.123 409 A HA -0.012 4.310 4.320 0.003 0.000 0.214 409 A C 1.956 179.480 177.584 -0.100 0.000 1.152 409 A CA 0.326 52.252 52.037 -0.185 0.000 0.728 409 A CB -0.307 18.377 19.000 -0.526 0.000 0.814 409 A HN 0.282 nan 8.150 nan 0.000 0.464 410 M N 0.102 119.688 119.600 -0.023 0.000 2.204 410 M HA -0.180 4.302 4.480 0.003 0.000 0.255 410 M C -0.497 175.801 176.300 -0.003 0.000 1.073 410 M CA 2.180 57.486 55.300 0.010 0.000 1.084 410 M CB -2.148 30.467 32.600 0.026 0.000 1.289 410 M HN 0.132 nan 8.290 nan 0.000 0.419 411 P HA -0.110 nan 4.420 nan 0.000 0.216 411 P C 1.341 178.633 177.300 -0.014 0.000 1.153 411 P CA 1.942 65.037 63.100 -0.009 0.000 0.858 411 P CB -0.307 31.385 31.700 -0.013 0.000 0.789 412 T N -0.706 113.828 114.554 -0.033 0.000 2.812 412 T HA -0.025 4.327 4.350 0.003 0.000 0.264 412 T C 1.809 176.497 174.700 -0.021 0.000 1.042 412 T CA 0.832 62.911 62.100 -0.036 0.000 1.140 412 T CB -0.985 67.842 68.868 -0.068 0.000 0.870 412 T HN 0.047 nan 8.240 nan 0.000 0.445 413 L N 0.316 121.523 121.223 -0.026 0.000 2.127 413 L HA -0.034 4.308 4.340 0.003 0.000 0.211 413 L C 2.403 179.296 176.870 0.038 0.000 1.089 413 L CA 1.132 55.982 54.840 0.017 0.000 0.757 413 L CB -0.583 41.503 42.059 0.045 0.000 0.899 413 L HN 0.291 nan 8.230 nan 0.000 0.434 414 I N -0.685 119.901 120.570 0.026 0.000 2.333 414 I HA -0.216 3.955 4.170 0.003 0.000 0.246 414 I C 2.362 178.495 176.117 0.026 0.000 1.106 414 I CA 1.035 62.352 61.300 0.029 0.000 1.411 414 I CB -0.208 37.804 38.000 0.021 0.000 1.082 414 I HN 0.242 nan 8.210 nan 0.000 0.420 415 E N 1.056 121.267 120.200 0.019 0.000 2.051 415 E HA -0.200 4.152 4.350 0.003 0.000 0.192 415 E C 2.260 178.877 176.600 0.028 0.000 0.991 415 E CA 1.135 57.546 56.400 0.018 0.000 0.799 415 E CB -0.161 29.545 29.700 0.011 0.000 0.748 415 E HN 0.430 nan 8.360 nan 0.000 0.449 416 L N 0.495 121.738 121.223 0.034 0.000 2.349 416 L HA -0.176 4.166 4.340 0.003 0.000 0.220 416 L C 2.267 179.171 176.870 0.057 0.000 1.130 416 L CA 0.679 55.549 54.840 0.050 0.000 0.791 416 L CB -0.265 41.831 42.059 0.062 0.000 0.918 416 L HN 0.249 nan 8.230 nan 0.000 0.444 417 M N -0.936 118.695 119.600 0.051 0.000 2.619 417 M HA -0.098 4.384 4.480 0.003 0.000 0.251 417 M C 1.052 177.374 176.300 0.037 0.000 1.106 417 M CA 1.273 56.603 55.300 0.051 0.000 1.086 417 M CB 0.068 32.698 32.600 0.050 0.000 1.465 417 M HN 0.080 nan 8.290 nan 0.000 0.506 418 K N -0.361 120.058 120.400 0.031 0.000 2.478 418 K HA 0.148 4.470 4.320 0.003 0.000 0.205 418 K C -0.469 176.144 176.600 0.021 0.000 1.033 418 K CA -0.219 56.082 56.287 0.022 0.000 1.091 418 K CB 0.283 32.794 32.500 0.018 0.000 0.844 418 K HN 0.083 nan 8.250 nan 0.000 0.507 419 D N 1.274 121.691 120.400 0.029 0.000 2.423 419 D HA 0.006 4.647 4.640 0.003 0.000 0.238 419 D C -1.579 174.730 176.300 0.014 0.000 1.142 419 D CA -1.611 52.408 54.000 0.033 0.000 0.884 419 D CB 1.107 41.939 40.800 0.054 0.000 1.199 419 D HN -0.154 nan 8.370 nan 0.000 0.438 420 P HA -0.081 nan 4.420 nan 0.000 0.218 420 P C -0.195 177.074 177.300 -0.051 0.000 1.148 420 P CA 0.708 63.801 63.100 -0.011 0.000 0.822 420 P CB 0.184 31.887 31.700 0.004 0.000 0.784 421 S N -0.462 115.207 115.700 -0.052 0.000 2.474 421 S HA 0.133 4.605 4.470 0.003 0.000 0.276 421 S C 1.355 175.885 174.600 -0.117 0.000 1.227 421 S CA -0.604 57.504 58.200 -0.153 0.000 1.050 421 S CB 0.234 63.358 63.200 -0.126 0.000 0.939 421 S HN -0.056 nan 8.310 nan 0.000 0.490 422 V N 4.964 124.781 119.914 -0.162 0.000 2.490 422 V HA -0.076 4.046 4.120 0.003 0.000 0.250 422 V C 2.004 178.050 176.094 -0.079 0.000 1.061 422 V CA 1.745 63.985 62.300 -0.101 0.000 1.064 422 V CB -1.380 30.379 31.823 -0.107 0.000 0.670 422 V HN 0.699 nan 8.190 nan 0.000 0.461 423 V N 0.477 120.303 119.914 -0.147 0.000 2.255 423 V HA -0.235 3.887 4.120 0.003 0.000 0.247 423 V C 2.702 178.833 176.094 0.061 0.000 1.051 423 V CA 2.286 64.558 62.300 -0.047 0.000 1.018 423 V CB -0.764 31.025 31.823 -0.057 0.000 0.641 423 V HN 0.459 nan 8.190 nan 0.000 0.445 424 V N -0.149 119.820 119.914 0.092 0.000 2.332 424 V HA -0.312 3.810 4.120 0.003 0.000 0.248 424 V C 2.608 178.763 176.094 0.102 0.000 1.055 424 V CA 2.273 64.654 62.300 0.134 0.000 1.038 424 V CB -0.861 31.047 31.823 0.143 0.000 0.651 424 V HN 0.466 nan 8.190 nan 0.000 0.450 425 R N -0.066 120.472 120.500 0.063 0.000 2.080 425 R HA -0.191 4.151 4.340 0.003 0.000 0.236 425 R C 2.148 178.498 176.300 0.083 0.000 1.137 425 R CA 2.052 58.189 56.100 0.062 0.000 0.943 425 R CB -0.580 29.739 30.300 0.032 0.000 0.846 425 R HN 0.507 nan 8.270 nan 0.000 0.431 426 D N -0.442 120.000 120.400 0.070 0.000 2.123 426 D HA -0.122 4.520 4.640 0.003 0.000 0.196 426 D C 1.879 178.267 176.300 0.146 0.000 0.992 426 D CA 1.835 55.889 54.000 0.089 0.000 0.833 426 D CB -0.399 40.431 40.800 0.050 0.000 0.954 426 D HN 0.300 nan 8.370 nan 0.000 0.455 427 T N -0.000 114.637 114.554 0.139 0.000 2.821 427 T HA -0.024 4.327 4.350 0.003 0.000 0.267 427 T C 2.066 176.946 174.700 0.301 0.000 1.046 427 T CA 1.210 63.430 62.100 0.199 0.000 1.139 427 T CB -0.334 68.621 68.868 0.145 0.000 0.871 427 T HN 0.175 nan 8.240 nan 0.000 0.454 428 A N 2.026 124.976 122.820 0.216 0.000 1.858 428 A HA 0.160 4.481 4.320 0.003 0.000 0.216 428 A C 2.763 180.466 177.584 0.197 0.000 1.190 428 A CA 1.918 54.074 52.037 0.198 0.000 0.617 428 A CB -1.392 17.689 19.000 0.135 0.000 0.827 428 A HN 0.538 nan 8.150 nan 0.000 0.443 429 A N -1.475 121.450 122.820 0.175 0.000 1.892 429 A HA -0.230 4.091 4.320 0.003 0.000 0.218 429 A C 2.004 179.701 177.584 0.188 0.000 1.188 429 A CA 1.834 53.961 52.037 0.150 0.000 0.631 429 A CB -1.100 17.978 19.000 0.131 0.000 0.822 429 A HN 0.903 nan 8.150 nan 0.000 0.447 430 W N 1.493 122.829 121.300 0.059 0.000 2.318 430 W HA -0.234 4.428 4.660 0.003 0.000 0.313 430 W C 2.349 178.906 176.519 0.064 0.000 1.221 430 W CA 3.113 60.493 57.345 0.058 0.000 1.266 430 W CB -0.730 28.767 29.460 0.061 0.000 1.150 430 W HN 0.354 nan 8.180 nan 0.000 0.496 431 T N 0.232 114.909 114.554 0.206 0.000 2.674 431 T HA -0.244 4.107 4.350 0.003 0.000 0.265 431 T C 1.853 176.519 174.700 -0.056 0.000 1.039 431 T CA 2.083 64.189 62.100 0.010 0.000 1.150 431 T CB -1.207 67.830 68.868 0.282 0.000 0.864 431 T HN 0.053 nan 8.240 nan 0.000 0.427 432 V N 1.884 121.824 119.914 0.044 0.000 2.324 432 V HA -0.156 3.965 4.120 0.003 0.000 0.250 432 V C 2.958 179.030 176.094 -0.036 0.000 1.060 432 V CA 2.044 64.361 62.300 0.029 0.000 1.042 432 V CB -1.526 30.330 31.823 0.056 0.000 0.650 432 V HN 0.663 nan 8.190 nan 0.000 0.450 433 G N -0.485 108.277 108.800 -0.064 0.000 2.440 433 G HA2 -0.265 3.697 3.960 0.003 0.000 0.218 433 G HA3 -0.265 3.697 3.960 0.003 0.000 0.218 433 G C 1.749 176.553 174.900 -0.161 0.000 1.154 433 G CA 0.803 45.848 45.100 -0.092 0.000 0.767 433 G HN 0.445 nan 8.290 nan 0.000 0.552 434 R N -0.244 120.082 120.500 -0.290 0.000 2.115 434 R HA 0.115 4.457 4.340 0.003 0.000 0.230 434 R C 2.542 178.725 176.300 -0.195 0.000 1.111 434 R CA 0.756 56.663 56.100 -0.320 0.000 0.976 434 R CB -0.305 29.663 30.300 -0.552 0.000 0.870 434 R HN 0.387 nan 8.270 nan 0.000 0.445 435 I N -0.074 120.411 120.570 -0.142 0.000 2.361 435 I HA -0.353 3.819 4.170 0.003 0.000 0.251 435 I C 2.149 178.232 176.117 -0.057 0.000 1.133 435 I CA 0.920 62.173 61.300 -0.077 0.000 1.413 435 I CB -0.267 37.726 38.000 -0.012 0.000 1.073 435 I HN 0.297 nan 8.210 nan 0.000 0.424 436 C N 0.279 119.545 119.300 -0.056 0.000 2.541 436 C HA -0.149 4.312 4.460 0.003 0.000 0.282 436 C C 2.761 177.723 174.990 -0.047 0.000 1.263 436 C CA 0.761 59.755 59.018 -0.040 0.000 1.709 436 C CB -0.925 26.797 27.740 -0.031 0.000 2.097 436 C HN 0.516 nan 8.230 nan 0.000 0.480 437 E N -0.199 119.963 120.200 -0.063 0.000 2.273 437 E HA -0.213 4.139 4.350 0.003 0.000 0.198 437 E C 1.696 178.262 176.600 -0.057 0.000 1.002 437 E CA 0.976 57.341 56.400 -0.058 0.000 0.828 437 E CB 0.014 29.672 29.700 -0.071 0.000 0.747 437 E HN 0.450 nan 8.360 nan 0.000 0.491 438 L N -0.114 121.068 121.223 -0.067 0.000 3.076 438 L HA 0.279 4.621 4.340 0.003 0.000 0.173 438 L C 0.885 177.728 176.870 -0.044 0.000 1.343 438 L CA 0.544 55.349 54.840 -0.059 0.000 0.894 438 L CB -0.914 41.097 42.059 -0.080 0.000 1.372 438 L HN 0.081 nan 8.230 nan 0.000 0.565 439 L N 0.000 121.195 121.223 -0.047 0.000 2.949 439 L HA 0.000 4.342 4.340 0.003 0.000 0.249 439 L CA 0.000 54.822 54.840 -0.029 0.000 0.813 439 L CB 0.000 42.043 42.059 -0.027 0.000 0.961 439 L HN 0.000 nan 8.230 nan 0.000 0.502