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 1sm4_1_B DATA FIRST_RESID 1067 DATA SEQUENCE ISKKQDEGVV VNKFRPKEPY IGRCLLNTKI TGDDAPGETW HMVFSTEGEI DATA SEQUENCE PYREGQSIGV IADGVDANGK PHKLRLYSIA SSALGDFGDS KTVSLCVKRL DATA SEQUENCE VYTNDKGEEV KGVCSNFLCD LKPGADVKIT GPVGKEMLMP KDPNATVIML DATA SEQUENCE GTGTGIAPFR SFLWKMFFEK HDDYKFNGLA WLFLGVPTSS SLLYKEEFEK DATA SEQUENCE MKEKAPENFR LDFAVSREQT NEKGEKMYIQ TRMAQYAEEL WTLLKKDNTF DATA SEQUENCE VYMCGLKGME QGIDDIMSSL AAKEGIDWAD YKKQLKKAEQ WNVEVY 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 1067 I HA 0.000 nan 4.170 nan 0.000 0.288 1067 I C 0.000 176.309 176.117 0.319 0.000 1.063 1067 I CA 0.000 61.457 61.300 0.262 0.000 1.566 1067 I CB 0.000 38.063 38.000 0.105 0.000 1.214 1068 S N 2.069 118.090 115.700 0.536 0.000 3.120 1068 S HA 0.065 4.535 4.470 -0.000 0.000 0.259 1068 S C 1.387 176.011 174.600 0.040 0.000 1.191 1068 S CA 0.045 58.371 58.200 0.210 0.000 1.257 1068 S CB -0.433 62.842 63.200 0.125 0.000 0.964 1068 S HN 0.346 nan 8.310 nan 0.000 0.473 1069 K N 0.243 120.694 120.400 0.085 0.000 2.853 1069 K HA -0.256 4.064 4.320 -0.000 0.000 0.265 1069 K C 0.171 176.768 176.600 -0.005 0.000 1.010 1069 K CA 1.103 57.415 56.287 0.041 0.000 0.791 1069 K CB -0.889 31.629 32.500 0.030 0.000 1.220 1069 K HN 0.507 nan 8.250 nan 0.000 0.451 1070 K N -1.219 119.142 120.400 -0.066 0.000 0.828 1070 K HA -0.230 4.090 4.320 -0.000 0.000 0.748 1070 K C -0.091 176.454 176.600 -0.091 0.000 2.472 1070 K CA 1.323 57.556 56.287 -0.090 0.000 1.651 1070 K CB -0.520 31.971 32.500 -0.014 0.000 2.739 1070 K HN 0.322 nan 8.250 nan 0.000 0.233 1071 Q N 1.581 121.304 119.800 -0.129 0.000 2.835 1071 Q HA 0.097 4.437 4.340 -0.000 0.000 0.235 1071 Q C -0.210 175.733 176.000 -0.096 0.000 1.313 1071 Q CA 0.028 55.752 55.803 -0.132 0.000 1.053 1071 Q CB 0.261 28.871 28.738 -0.213 0.000 1.443 1071 Q HN 0.491 nan 8.270 nan 0.000 0.576 1072 D N -0.250 120.115 120.400 -0.059 0.000 2.369 1072 D HA -0.045 4.595 4.640 -0.000 0.000 0.211 1072 D C -0.283 175.995 176.300 -0.037 0.000 1.077 1072 D CA -0.152 53.825 54.000 -0.039 0.000 0.842 1072 D CB 0.308 41.098 40.800 -0.017 0.000 0.947 1072 D HN 0.268 nan 8.370 nan 0.000 0.509 1073 E N 0.740 120.913 120.200 -0.045 0.000 2.238 1073 E HA 0.373 4.723 4.350 -0.000 0.000 0.264 1073 E C 0.874 177.448 176.600 -0.044 0.000 1.136 1073 E CA 0.398 56.775 56.400 -0.038 0.000 0.929 1073 E CB 0.105 29.782 29.700 -0.037 0.000 1.010 1073 E HN 0.392 nan 8.360 nan 0.000 0.440 1074 G N 2.540 111.318 108.800 -0.036 0.000 2.132 1074 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.234 1074 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.234 1074 G C 0.275 175.151 174.900 -0.039 0.000 0.989 1074 G CA -0.003 45.074 45.100 -0.038 0.000 0.676 1074 G HN 0.536 nan 8.290 nan 0.000 0.522 1075 V N 1.736 121.629 119.914 -0.034 0.000 2.485 1075 V HA 0.458 4.578 4.120 -0.000 0.000 0.287 1075 V C 1.140 177.221 176.094 -0.021 0.000 1.022 1075 V CA 0.192 62.476 62.300 -0.027 0.000 1.067 1075 V CB 1.074 32.886 31.823 -0.019 0.000 0.967 1075 V HN 1.323 nan 8.190 nan 0.000 0.479 1076 V N 6.387 126.289 119.914 -0.019 0.000 2.481 1076 V HA 0.797 4.917 4.120 -0.000 0.000 0.286 1076 V C -0.284 175.807 176.094 -0.005 0.000 1.042 1076 V CA -0.292 61.996 62.300 -0.021 0.000 0.928 1076 V CB 1.517 33.320 31.823 -0.034 0.000 0.986 1076 V HN 0.877 nan 8.190 nan 0.000 0.462 1077 V N 4.649 124.557 119.914 -0.010 0.000 2.656 1077 V HA 0.593 4.713 4.120 -0.000 0.000 0.307 1077 V C 0.249 176.338 176.094 -0.009 0.000 1.051 1077 V CA -0.425 61.876 62.300 0.002 0.000 0.893 1077 V CB 1.000 32.825 31.823 0.004 0.000 0.999 1077 V HN 1.205 nan 8.190 nan 0.000 0.426 1078 N N 3.537 122.243 118.700 0.009 0.000 2.688 1078 N HA -0.212 4.528 4.740 -0.000 0.000 0.258 1078 N C 1.068 176.550 175.510 -0.046 0.000 1.016 1078 N CA 1.171 54.226 53.050 0.010 0.000 0.747 1078 N CB -0.567 37.927 38.487 0.011 0.000 0.895 1078 N HN 0.846 nan 8.380 nan 0.000 0.543 1079 K N -0.389 119.951 120.400 -0.100 0.000 2.148 1079 K HA -0.029 4.291 4.320 -0.000 0.000 0.204 1079 K C -0.340 175.944 176.600 -0.526 0.000 1.050 1079 K CA 0.998 57.085 56.287 -0.333 0.000 0.942 1079 K CB 0.182 32.412 32.500 -0.450 0.000 0.724 1079 K HN 0.270 nan 8.250 nan 0.000 0.446 1080 F N 0.371 120.343 119.950 0.037 0.000 2.520 1080 F HA 0.426 4.953 4.527 -0.000 0.000 0.322 1080 F C -0.040 175.783 175.800 0.038 0.000 1.103 1080 F CA -1.034 56.997 58.000 0.052 0.000 0.926 1080 F CB 1.832 40.886 39.000 0.090 0.000 1.154 1080 F HN -0.280 nan 8.300 nan 0.000 0.453 1081 R N 2.372 122.994 120.500 0.202 0.000 2.856 1081 R HA 0.505 4.845 4.340 -0.000 0.000 0.258 1081 R C -1.944 174.418 176.300 0.104 0.000 1.066 1081 R CA -1.899 54.270 56.100 0.116 0.000 1.045 1081 R CB 0.435 30.774 30.300 0.065 0.000 1.178 1081 R HN 0.197 nan 8.270 nan 0.000 0.499 1082 P HA -0.193 nan 4.420 nan 0.000 0.217 1082 P C 0.301 177.619 177.300 0.030 0.000 1.148 1082 P CA 1.511 64.633 63.100 0.038 0.000 0.828 1082 P CB 0.293 32.006 31.700 0.022 0.000 0.783 1083 K N -0.501 119.921 120.400 0.035 0.000 2.025 1083 K HA -0.090 4.230 4.320 -0.000 0.000 0.207 1083 K C 0.475 177.098 176.600 0.038 0.000 1.049 1083 K CA 1.156 57.459 56.287 0.027 0.000 0.933 1083 K CB -0.065 32.450 32.500 0.026 0.000 0.714 1083 K HN 0.210 nan 8.250 nan 0.000 0.438 1084 E N 0.762 121.005 120.200 0.072 0.000 3.037 1084 E HA 0.168 4.518 4.350 -0.000 0.000 0.220 1084 E C -2.543 174.161 176.600 0.173 0.000 1.142 1084 E CA -1.715 54.745 56.400 0.099 0.000 0.888 1084 E CB 1.512 31.278 29.700 0.110 0.000 1.329 1084 E HN 0.147 nan 8.360 nan 0.000 0.409 1085 P HA 0.013 nan 4.420 nan 0.000 0.277 1085 P C -0.905 176.336 177.300 -0.098 0.000 1.271 1085 P CA -0.500 62.642 63.100 0.069 0.000 0.795 1085 P CB 0.840 32.539 31.700 -0.000 0.000 1.101 1086 Y N 0.697 120.692 120.300 -0.509 0.000 2.301 1086 Y HA 0.424 4.974 4.550 -0.000 0.000 0.325 1086 Y C -0.281 175.401 175.900 -0.363 0.000 1.203 1086 Y CA -0.497 57.146 58.100 -0.762 0.000 1.255 1086 Y CB 0.345 38.023 38.460 -1.304 0.000 1.232 1086 Y HN 0.055 nan 8.280 nan 0.000 0.501 1087 I N 6.107 125.955 120.570 -1.203 0.000 2.337 1087 I HA 0.453 4.623 4.170 -0.000 0.000 0.285 1087 I C 0.631 176.183 176.117 -0.942 0.000 1.041 1087 I CA -0.098 60.733 61.300 -0.781 0.000 1.199 1087 I CB 0.836 38.551 38.000 -0.475 0.000 1.370 1087 I HN 0.752 nan 8.210 nan 0.000 0.470 1088 G N 4.825 113.329 108.800 -0.494 0.000 2.537 1088 G HA2 0.744 4.704 3.960 -0.000 0.000 0.297 1088 G HA3 0.744 4.704 3.960 -0.000 0.000 0.297 1088 G C -0.799 174.006 174.900 -0.158 0.000 1.310 1088 G CA -0.745 44.267 45.100 -0.146 0.000 1.027 1088 G HN 0.518 nan 8.290 nan 0.000 0.505 1089 R N -1.586 118.894 120.500 -0.032 0.000 2.574 1089 R HA 0.385 4.725 4.340 -0.000 0.000 0.288 1089 R C -0.984 175.365 176.300 0.081 0.000 1.004 1089 R CA -0.641 55.443 56.100 -0.027 0.000 0.895 1089 R CB 1.637 31.941 30.300 0.006 0.000 1.191 1089 R HN 0.638 nan 8.270 nan 0.000 0.444 1090 C N 6.341 125.680 119.300 0.065 0.000 2.627 1090 C HA 0.236 4.696 4.460 -0.000 0.000 0.404 1090 C C 1.371 176.457 174.990 0.161 0.000 1.340 1090 C CA -0.291 58.860 59.018 0.222 0.000 1.758 1090 C CB -1.067 26.751 27.740 0.130 0.000 2.501 1090 C HN 0.914 nan 8.230 nan 0.000 0.588 1091 L N 4.912 126.248 121.223 0.189 0.000 2.316 1091 L HA 0.320 4.660 4.340 -0.000 0.000 0.207 1091 L C 0.469 177.436 176.870 0.161 0.000 1.070 1091 L CA 0.569 55.515 54.840 0.176 0.000 0.820 1091 L CB -0.345 41.865 42.059 0.252 0.000 0.992 1091 L HN 0.537 nan 8.230 nan 0.000 0.466 1092 L N -0.448 120.861 121.223 0.144 0.000 2.434 1092 L HA 0.461 4.801 4.340 -0.000 0.000 0.260 1092 L C -1.359 175.576 176.870 0.108 0.000 0.983 1092 L CA -0.597 54.325 54.840 0.137 0.000 0.820 1092 L CB 2.401 44.565 42.059 0.175 0.000 1.361 1092 L HN -0.055 nan 8.230 nan 0.000 0.410 1093 N N 0.499 119.290 118.700 0.153 0.000 2.572 1093 N HA 0.445 5.185 4.740 -0.000 0.000 0.287 1093 N C -1.733 173.999 175.510 0.370 0.000 1.136 1093 N CA -0.181 53.001 53.050 0.220 0.000 0.900 1093 N CB 2.145 40.716 38.487 0.140 0.000 1.484 1093 N HN 0.543 nan 8.380 nan 0.000 0.526 1094 T N 1.472 116.241 114.554 0.359 0.000 2.886 1094 T HA 0.335 4.685 4.350 -0.000 0.000 0.292 1094 T C -0.319 174.264 174.700 -0.195 0.000 1.012 1094 T CA -0.641 61.538 62.100 0.132 0.000 0.982 1094 T CB 1.950 70.858 68.868 0.067 0.000 1.018 1094 T HN 0.299 nan 8.240 nan 0.000 0.451 1095 K N 2.750 122.628 120.400 -0.870 0.000 2.339 1095 K HA 0.326 4.646 4.320 -0.000 0.000 0.286 1095 K C 0.945 177.217 176.600 -0.547 0.000 1.050 1095 K CA -0.359 55.178 56.287 -1.250 0.000 0.956 1095 K CB 0.150 31.767 32.500 -1.473 0.000 0.990 1095 K HN 0.696 nan 8.250 nan 0.000 0.475 1096 I N 0.462 120.790 120.570 -0.402 0.000 3.976 1096 I HA 0.132 4.302 4.170 -0.000 0.000 0.337 1096 I C -0.093 175.872 176.117 -0.254 0.000 1.359 1096 I CA -0.657 60.475 61.300 -0.279 0.000 1.098 1096 I CB 0.446 38.281 38.000 -0.275 0.000 1.027 1096 I HN 0.334 nan 8.210 nan 0.000 0.394 1097 T N -0.895 113.504 114.554 -0.258 0.000 2.945 1097 T HA 0.711 5.061 4.350 -0.000 0.000 0.286 1097 T C 0.486 175.089 174.700 -0.162 0.000 1.025 1097 T CA -0.454 61.538 62.100 -0.181 0.000 1.039 1097 T CB 1.740 70.526 68.868 -0.137 0.000 1.068 1097 T HN 0.198 nan 8.240 nan 0.000 0.497 1098 G N 0.280 109.012 108.800 -0.114 0.000 2.503 1098 G HA2 0.304 4.264 3.960 -0.000 0.000 0.257 1098 G HA3 0.304 4.264 3.960 -0.000 0.000 0.257 1098 G C 0.410 175.266 174.900 -0.073 0.000 1.214 1098 G CA -0.709 44.337 45.100 -0.090 0.000 0.839 1098 G HN 0.778 nan 8.290 nan 0.000 0.559 1099 D N 0.451 120.814 120.400 -0.061 0.000 2.351 1099 D HA -0.115 4.525 4.640 -0.000 0.000 0.216 1099 D C 1.558 177.846 176.300 -0.020 0.000 0.968 1099 D CA 1.078 55.055 54.000 -0.038 0.000 0.899 1099 D CB 0.196 40.979 40.800 -0.029 0.000 0.907 1099 D HN 0.653 nan 8.370 nan 0.000 0.514 1100 D N 0.529 120.915 120.400 -0.024 0.000 2.349 1100 D HA 0.057 4.697 4.640 -0.000 0.000 0.215 1100 D C 0.859 177.153 176.300 -0.010 0.000 1.016 1100 D CA -0.086 53.906 54.000 -0.014 0.000 0.870 1100 D CB -0.044 40.746 40.800 -0.016 0.000 0.917 1100 D HN -0.014 nan 8.370 nan 0.000 0.524 1101 A N 2.569 125.379 122.820 -0.017 0.000 2.425 1101 A HA 0.296 4.616 4.320 -0.000 0.000 0.242 1101 A C -1.537 176.054 177.584 0.010 0.000 1.077 1101 A CA -0.973 51.058 52.037 -0.010 0.000 0.781 1101 A CB 0.103 19.089 19.000 -0.025 0.000 1.020 1101 A HN -0.000 nan 8.150 nan 0.000 0.494 1102 P HA 0.237 nan 4.420 nan 0.000 0.269 1102 P C 0.249 177.579 177.300 0.050 0.000 1.601 1102 P CA 1.019 64.141 63.100 0.036 0.000 0.831 1102 P CB -0.595 31.128 31.700 0.040 0.000 1.688 1103 G N 0.526 109.356 108.800 0.050 0.000 2.318 1103 G HA2 0.132 4.092 3.960 -0.000 0.000 0.302 1103 G HA3 0.132 4.092 3.960 -0.000 0.000 0.302 1103 G C -1.581 173.360 174.900 0.069 0.000 1.633 1103 G CA -0.924 44.219 45.100 0.073 0.000 0.965 1103 G HN 0.267 nan 8.290 nan 0.000 0.698 1104 E N -0.069 120.198 120.200 0.112 0.000 2.191 1104 E HA 0.744 5.094 4.350 -0.000 0.000 0.278 1104 E C -0.637 176.079 176.600 0.194 0.000 0.972 1104 E CA -0.810 55.657 56.400 0.111 0.000 0.804 1104 E CB 2.064 31.865 29.700 0.169 0.000 1.110 1104 E HN 0.272 nan 8.360 nan 0.000 0.394 1105 T N 2.704 117.307 114.554 0.083 0.000 2.841 1105 T HA 0.377 4.727 4.350 -0.000 0.000 0.283 1105 T C -1.308 173.437 174.700 0.076 0.000 1.000 1105 T CA -0.653 61.537 62.100 0.150 0.000 0.977 1105 T CB 0.433 69.332 68.868 0.051 0.000 0.979 1105 T HN 0.416 nan 8.240 nan 0.000 0.446 1106 W N 1.217 122.514 121.300 -0.005 0.000 2.689 1106 W HA 0.521 5.181 4.660 0.000 0.000 0.340 1106 W C -0.067 176.465 176.519 0.021 0.000 1.060 1106 W CA -0.844 56.501 57.345 -0.001 0.000 1.218 1106 W CB 0.767 30.212 29.460 -0.026 0.000 1.410 1106 W HN 0.672 nan 8.180 nan 0.000 0.528 1107 H N 3.751 122.920 119.070 0.165 0.000 2.511 1107 H HA 0.622 5.178 4.556 0.000 0.000 0.328 1107 H C -0.330 175.022 175.328 0.041 0.000 1.044 1107 H CA -0.611 55.493 56.048 0.093 0.000 1.212 1107 H CB 0.665 30.496 29.762 0.115 0.000 1.428 1107 H HN 0.411 nan 8.280 nan 0.000 0.483 1108 M N 3.451 122.763 119.600 -0.480 0.000 2.530 1108 M HA 0.626 5.106 4.480 -0.000 0.000 0.307 1108 M C -1.714 174.139 176.300 -0.745 0.000 1.161 1108 M CA -1.333 53.692 55.300 -0.459 0.000 0.903 1108 M CB 2.424 34.788 32.600 -0.393 0.000 1.711 1108 M HN 0.230 nan 8.290 nan 0.000 0.451 1109 V N 2.887 122.501 119.914 -0.500 0.000 2.444 1109 V HA 0.575 4.695 4.120 -0.000 0.000 0.294 1109 V C -1.190 174.777 176.094 -0.211 0.000 1.022 1109 V CA -0.393 61.636 62.300 -0.451 0.000 0.850 1109 V CB 1.335 32.996 31.823 -0.270 0.000 0.992 1109 V HN 0.689 nan 8.190 nan 0.000 0.426 1110 F N 1.819 121.699 119.950 -0.117 0.000 2.480 1110 F HA 0.620 5.147 4.527 -0.000 0.000 0.329 1110 F C 0.830 176.626 175.800 -0.006 0.000 1.091 1110 F CA -1.396 56.577 58.000 -0.046 0.000 0.972 1110 F CB 1.933 40.911 39.000 -0.037 0.000 1.150 1110 F HN 0.516 nan 8.300 nan 0.000 0.467 1111 S N -0.731 115.122 115.700 0.255 0.000 2.545 1111 S HA 0.435 4.904 4.470 -0.000 0.000 0.275 1111 S C 0.567 175.319 174.600 0.253 0.000 1.299 1111 S CA 0.080 58.401 58.200 0.201 0.000 1.048 1111 S CB 1.146 64.453 63.200 0.178 0.000 0.938 1111 S HN 0.809 nan 8.310 nan 0.000 0.496 1112 T N -2.253 112.398 114.554 0.162 0.000 2.969 1112 T HA 0.320 4.670 4.350 -0.000 0.000 0.258 1112 T C 0.239 174.916 174.700 -0.037 0.000 0.962 1112 T CA 0.031 62.131 62.100 -0.001 0.000 0.903 1112 T CB -0.670 68.150 68.868 -0.080 0.000 1.177 1112 T HN 0.759 nan 8.240 nan 0.000 0.511 1113 E N 0.893 121.139 120.200 0.077 0.000 2.722 1113 E HA -0.234 4.116 4.350 -0.000 0.000 0.265 1113 E C 1.117 177.732 176.600 0.025 0.000 1.081 1113 E CA 0.448 56.894 56.400 0.077 0.000 0.781 1113 E CB -1.968 27.813 29.700 0.134 0.000 1.372 1113 E HN 0.967 nan 8.360 nan 0.000 0.423 1114 G N -0.168 108.627 108.800 -0.007 0.000 2.184 1114 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.264 1114 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.264 1114 G C 0.754 175.632 174.900 -0.037 0.000 0.975 1114 G CA 0.658 45.745 45.100 -0.022 0.000 0.642 1114 G HN 0.320 nan 8.290 nan 0.000 0.536 1115 E N -0.335 119.818 120.200 -0.080 0.000 2.204 1115 E HA -0.035 4.315 4.350 -0.000 0.000 0.195 1115 E C 1.029 177.657 176.600 0.047 0.000 0.990 1115 E CA 0.853 57.228 56.400 -0.043 0.000 0.821 1115 E CB -0.029 29.571 29.700 -0.167 0.000 0.750 1115 E HN 0.633 nan 8.360 nan 0.000 0.477 1116 I N 1.954 122.505 120.570 -0.031 0.000 2.307 1116 I HA 0.140 4.310 4.170 -0.000 0.000 0.287 1116 I C -2.261 173.911 176.117 0.093 0.000 1.054 1116 I CA -2.088 59.279 61.300 0.113 0.000 1.218 1116 I CB 1.286 39.343 38.000 0.095 0.000 1.398 1116 I HN -0.278 nan 8.210 nan 0.000 0.475 1117 P HA 0.113 nan 4.420 nan 0.000 0.230 1117 P C -0.934 176.356 177.300 -0.018 0.000 1.791 1117 P CA -0.256 62.819 63.100 -0.041 0.000 1.020 1117 P CB -0.706 30.968 31.700 -0.044 0.000 1.977 1118 Y N -0.280 120.003 120.300 -0.028 0.000 2.298 1118 Y HA 0.594 5.144 4.550 0.000 0.000 0.329 1118 Y C 0.435 176.306 175.900 -0.048 0.000 1.293 1118 Y CA -1.269 56.812 58.100 -0.031 0.000 1.388 1118 Y CB 0.965 39.410 38.460 -0.025 0.000 1.309 1118 Y HN -0.033 nan 8.280 nan 0.000 0.544 1119 R N 0.840 121.431 120.500 0.151 0.000 2.854 1119 R HA 0.333 4.673 4.340 -0.000 0.000 0.271 1119 R C -1.175 175.204 176.300 0.132 0.000 0.994 1119 R CA -0.944 55.171 56.100 0.025 0.000 0.945 1119 R CB 1.401 31.683 30.300 -0.031 0.000 1.194 1119 R HN 0.831 nan 8.270 nan 0.000 0.476 1120 E N 0.332 120.556 120.200 0.040 0.000 2.452 1120 E HA 0.181 4.531 4.350 -0.000 0.000 0.261 1120 E C 0.746 177.442 176.600 0.160 0.000 0.987 1120 E CA 1.800 58.261 56.400 0.101 0.000 0.926 1120 E CB 0.633 30.319 29.700 -0.023 0.000 0.934 1120 E HN 0.827 nan 8.360 nan 0.000 0.452 1121 G N 2.138 111.092 108.800 0.257 0.000 2.176 1121 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.232 1121 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.232 1121 G C 0.184 175.148 174.900 0.106 0.000 0.986 1121 G CA -0.074 45.175 45.100 0.249 0.000 0.643 1121 G HN 0.439 nan 8.290 nan 0.000 0.522 1122 Q N -0.009 119.835 119.800 0.073 0.000 2.169 1122 Q HA 0.752 5.092 4.340 -0.000 0.000 0.234 1122 Q C -0.211 175.776 176.000 -0.021 0.000 0.980 1122 Q CA -0.250 55.576 55.803 0.038 0.000 0.941 1122 Q CB 1.534 30.311 28.738 0.065 0.000 1.199 1122 Q HN 0.260 nan 8.270 nan 0.000 0.496 1123 S N 0.523 116.208 115.700 -0.025 0.000 2.634 1123 S HA 0.672 5.142 4.470 -0.000 0.000 0.296 1123 S C -0.723 173.861 174.600 -0.028 0.000 1.104 1123 S CA -0.745 57.425 58.200 -0.051 0.000 0.920 1123 S CB 1.288 64.448 63.200 -0.066 0.000 1.111 1123 S HN 0.531 nan 8.310 nan 0.000 0.493 1124 I N -1.357 119.207 120.570 -0.010 0.000 3.042 1124 I HA 0.884 5.054 4.170 -0.000 0.000 0.310 1124 I C -0.096 176.061 176.117 0.066 0.000 1.117 1124 I CA -0.929 60.393 61.300 0.037 0.000 1.003 1124 I CB 1.074 39.103 38.000 0.048 0.000 1.228 1124 I HN 0.709 nan 8.210 nan 0.000 0.443 1125 G N 2.145 110.993 108.800 0.080 0.000 2.416 1125 G HA2 0.600 4.560 3.960 -0.000 0.000 0.329 1125 G HA3 0.600 4.560 3.960 -0.000 0.000 0.329 1125 G C -1.246 173.730 174.900 0.126 0.000 1.173 1125 G CA -0.521 44.627 45.100 0.080 0.000 0.929 1125 G HN 0.499 nan 8.290 nan 0.000 0.475 1126 V N 2.854 122.877 119.914 0.182 0.000 2.495 1126 V HA 0.407 4.527 4.120 -0.000 0.000 0.298 1126 V C -0.203 175.931 176.094 0.066 0.000 1.031 1126 V CA -0.590 61.798 62.300 0.145 0.000 0.871 1126 V CB 1.650 33.606 31.823 0.222 0.000 0.988 1126 V HN 0.633 nan 8.190 nan 0.000 0.432 1127 I N 4.391 124.947 120.570 -0.023 0.000 2.307 1127 I HA 0.558 4.728 4.170 -0.000 0.000 0.289 1127 I C 0.738 176.695 176.117 -0.268 0.000 1.021 1127 I CA -0.299 60.949 61.300 -0.087 0.000 1.224 1127 I CB 1.446 39.405 38.000 -0.068 0.000 1.376 1127 I HN 0.689 nan 8.210 nan 0.000 0.470 1128 A N 5.317 127.909 122.820 -0.379 0.000 2.407 1128 A HA 0.211 4.531 4.320 -0.000 0.000 0.248 1128 A C -0.092 177.099 177.584 -0.656 0.000 1.082 1128 A CA -0.437 51.026 52.037 -0.957 0.000 0.785 1128 A CB 0.141 18.714 19.000 -0.712 0.000 1.020 1128 A HN 0.635 nan 8.150 nan 0.000 0.489 1129 D N 0.382 120.221 120.400 -0.936 0.000 2.399 1129 D HA 0.480 5.120 4.640 -0.000 0.000 0.241 1129 D C 0.877 177.135 176.300 -0.071 0.000 1.133 1129 D CA 1.924 55.745 54.000 -0.298 0.000 0.890 1129 D CB 0.985 41.740 40.800 -0.076 0.000 1.201 1129 D HN 1.175 nan 8.370 nan 0.000 0.432 1130 G N -0.861 107.908 108.800 -0.051 0.000 2.483 1130 G HA2 0.165 4.125 3.960 -0.000 0.000 0.521 1130 G HA3 0.165 4.125 3.960 -0.000 0.000 0.521 1130 G C -0.765 173.970 174.900 -0.276 0.000 1.278 1130 G CA -0.372 44.696 45.100 -0.054 0.000 0.965 1130 G HN 0.922 nan 8.290 nan 0.000 0.504 1131 V N -2.090 117.604 119.914 -0.367 0.000 3.040 1131 V HA 0.867 4.987 4.120 -0.000 0.000 0.312 1131 V C 0.257 176.020 176.094 -0.552 0.000 1.115 1131 V CA 0.101 62.094 62.300 -0.512 0.000 0.998 1131 V CB 1.778 33.463 31.823 -0.231 0.000 1.042 1131 V HN 1.503 nan 8.190 nan 0.000 0.433 1132 D N 2.649 122.772 120.400 -0.462 0.000 2.376 1132 D HA 0.413 5.053 4.640 -0.000 0.000 0.268 1132 D C 1.283 177.556 176.300 -0.044 0.000 1.252 1132 D CA 0.156 54.090 54.000 -0.110 0.000 1.041 1132 D CB 0.708 41.504 40.800 -0.007 0.000 1.109 1132 D HN 0.855 nan 8.370 nan 0.000 0.552 1133 A N -0.868 121.957 122.820 0.009 0.000 2.121 1133 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 1133 A C 1.796 179.372 177.584 -0.013 0.000 1.154 1133 A CA 0.854 52.893 52.037 0.003 0.000 0.679 1133 A CB -0.790 18.220 19.000 0.018 0.000 0.795 1133 A HN 0.585 nan 8.150 nan 0.000 0.458 1134 N N -0.736 117.950 118.700 -0.023 0.000 2.336 1134 N HA 0.067 4.807 4.740 -0.000 0.000 0.189 1134 N C 1.037 176.522 175.510 -0.041 0.000 1.113 1134 N CA 0.895 53.929 53.050 -0.026 0.000 0.858 1134 N CB 0.241 38.715 38.487 -0.021 0.000 0.970 1134 N HN 0.556 nan 8.380 nan 0.000 0.471 1135 G N 1.267 110.031 108.800 -0.060 0.000 2.143 1135 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.248 1135 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.248 1135 G C -0.137 174.710 174.900 -0.087 0.000 0.991 1135 G CA 0.269 45.327 45.100 -0.070 0.000 0.689 1135 G HN 0.318 nan 8.290 nan 0.000 0.522 1136 K N 0.297 120.634 120.400 -0.105 0.000 2.156 1136 K HA 0.577 4.897 4.320 -0.000 0.000 0.250 1136 K C -2.556 173.938 176.600 -0.177 0.000 0.955 1136 K CA -2.339 53.884 56.287 -0.107 0.000 0.855 1136 K CB 1.768 34.226 32.500 -0.071 0.000 1.101 1136 K HN -0.050 nan 8.250 nan 0.000 0.434 1137 P HA -0.049 nan 4.420 nan 0.000 0.270 1137 P C -0.937 176.255 177.300 -0.180 0.000 1.223 1137 P CA 0.073 63.060 63.100 -0.188 0.000 0.785 1137 P CB 0.385 32.022 31.700 -0.105 0.000 0.923 1138 H N 1.623 120.644 119.070 -0.082 0.000 2.803 1138 H HA 0.134 4.690 4.556 -0.000 0.000 0.330 1138 H C 0.595 175.882 175.328 -0.068 0.000 1.057 1138 H CA 0.338 56.339 56.048 -0.078 0.000 1.458 1138 H CB 0.335 30.029 29.762 -0.114 0.000 1.470 1138 H HN 0.275 nan 8.280 nan 0.000 0.560 1139 K N 2.733 123.185 120.400 0.086 0.000 2.258 1139 K HA 0.102 4.422 4.320 -0.000 0.000 0.264 1139 K C 0.309 176.923 176.600 0.023 0.000 1.007 1139 K CA -0.627 55.681 56.287 0.034 0.000 0.941 1139 K CB 0.634 33.148 32.500 0.023 0.000 0.966 1139 K HN 0.338 nan 8.250 nan 0.000 0.480 1140 L N -0.283 120.945 121.223 0.008 0.000 2.483 1140 L HA 0.308 4.648 4.340 -0.000 0.000 0.275 1140 L C -0.169 176.690 176.870 -0.019 0.000 1.220 1140 L CA -0.054 54.790 54.840 0.006 0.000 0.833 1140 L CB 0.225 42.290 42.059 0.010 0.000 1.102 1140 L HN 0.328 nan 8.230 nan 0.000 0.490 1141 R N 1.902 122.392 120.500 -0.017 0.000 2.670 1141 R HA 0.711 5.051 4.340 -0.000 0.000 0.289 1141 R C -1.043 175.056 176.300 -0.335 0.000 0.965 1141 R CA -0.584 55.421 56.100 -0.159 0.000 0.899 1141 R CB 1.622 31.872 30.300 -0.083 0.000 1.173 1141 R HN 0.705 nan 8.270 nan 0.000 0.456 1142 L N 3.379 124.296 121.223 -0.510 0.000 2.350 1142 L HA 0.456 4.796 4.340 -0.000 0.000 0.275 1142 L C -0.819 175.515 176.870 -0.894 0.000 1.099 1142 L CA -0.430 54.122 54.840 -0.480 0.000 0.808 1142 L CB 0.582 42.455 42.059 -0.309 0.000 1.149 1142 L HN 0.528 nan 8.230 nan 0.000 0.442 1143 Y N 0.361 120.587 120.300 -0.124 0.000 2.331 1143 Y HA 0.224 4.774 4.550 -0.000 0.000 0.326 1143 Y C 0.242 176.053 175.900 -0.148 0.000 1.020 1143 Y CA -0.746 57.267 58.100 -0.146 0.000 1.136 1143 Y CB 1.983 40.394 38.460 -0.082 0.000 1.157 1143 Y HN 0.458 nan 8.280 nan 0.000 0.444 1144 S N 4.068 119.729 115.700 -0.066 0.000 2.546 1144 S HA 0.216 4.686 4.470 -0.000 0.000 0.290 1144 S C 0.234 174.780 174.600 -0.089 0.000 1.290 1144 S CA -0.275 57.874 58.200 -0.085 0.000 1.069 1144 S CB -0.021 63.122 63.200 -0.094 0.000 0.846 1144 S HN 0.444 nan 8.310 nan 0.000 0.495 1145 I N 2.575 123.058 120.570 -0.145 0.000 2.533 1145 I HA 0.096 4.266 4.170 -0.000 0.000 0.284 1145 I C 1.076 177.075 176.117 -0.197 0.000 1.109 1145 I CA -0.115 61.039 61.300 -0.243 0.000 1.412 1145 I CB 0.756 38.504 38.000 -0.419 0.000 1.396 1145 I HN 0.785 nan 8.210 nan 0.000 0.543 1146 A N 4.879 127.570 122.820 -0.216 0.000 2.345 1146 A HA 0.204 4.524 4.320 -0.000 0.000 0.225 1146 A C 0.674 178.093 177.584 -0.276 0.000 1.243 1146 A CA -0.037 51.884 52.037 -0.192 0.000 0.875 1146 A CB -0.234 18.695 19.000 -0.118 0.000 0.929 1146 A HN 0.695 nan 8.150 nan 0.000 0.502 1147 S N -0.129 115.406 115.700 -0.275 0.000 2.568 1147 S HA 0.635 5.105 4.470 -0.000 0.000 0.302 1147 S C 0.146 174.704 174.600 -0.070 0.000 1.082 1147 S CA 0.023 58.038 58.200 -0.309 0.000 1.009 1147 S CB 1.462 64.488 63.200 -0.289 0.000 1.069 1147 S HN 0.644 nan 8.310 nan 0.000 0.500 1148 S N 1.232 116.889 115.700 -0.071 0.000 2.608 1148 S HA 0.545 5.015 4.470 -0.000 0.000 0.261 1148 S C 1.527 176.209 174.600 0.137 0.000 1.314 1148 S CA -0.389 57.872 58.200 0.102 0.000 0.992 1148 S CB 0.169 63.479 63.200 0.183 0.000 0.935 1148 S HN 1.378 nan 8.310 nan 0.000 0.564 1149 A N 0.403 123.221 122.820 -0.002 0.000 1.948 1149 A HA -0.068 4.252 4.320 -0.000 0.000 0.220 1149 A C 1.977 179.398 177.584 -0.271 0.000 1.177 1149 A CA 1.459 53.289 52.037 -0.346 0.000 0.636 1149 A CB -1.041 17.778 19.000 -0.302 0.000 0.815 1149 A HN 0.698 nan 8.150 nan 0.000 0.449 1150 L N -1.207 119.994 121.223 -0.037 0.000 2.465 1150 L HA 0.200 4.540 4.340 -0.000 0.000 0.224 1150 L C 1.434 178.319 176.870 0.026 0.000 1.145 1150 L CA 1.113 55.967 54.840 0.023 0.000 0.834 1150 L CB -1.449 40.689 42.059 0.131 0.000 0.944 1150 L HN 0.728 nan 8.230 nan 0.000 0.451 1151 G N -0.892 107.914 108.800 0.010 0.000 2.829 1151 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.628 1151 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.628 1151 G C 0.280 175.091 174.900 -0.148 0.000 1.412 1151 G CA -0.126 44.940 45.100 -0.058 0.000 0.864 1151 G HN 0.107 nan 8.290 nan 0.000 0.544 1152 D N -0.423 119.771 120.400 -0.344 0.000 2.219 1152 D HA 0.007 4.647 4.640 -0.000 0.000 0.205 1152 D C 2.037 178.410 176.300 0.122 0.000 0.970 1152 D CA 1.282 55.080 54.000 -0.337 0.000 0.851 1152 D CB -0.133 40.426 40.800 -0.402 0.000 0.943 1152 D HN 0.299 nan 8.370 nan 0.000 0.488 1153 F N -0.321 119.670 119.950 0.068 0.000 2.727 1153 F HA 0.311 4.838 4.527 0.000 0.000 0.302 1153 F C 1.914 177.776 175.800 0.103 0.000 1.097 1153 F CA -0.289 57.767 58.000 0.093 0.000 1.330 1153 F CB -0.523 38.516 39.000 0.065 0.000 1.084 1153 F HN -0.077 nan 8.300 nan 0.000 0.578 1154 G N 1.557 110.513 108.800 0.259 0.000 2.258 1154 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.274 1154 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.274 1154 G C 0.579 175.566 174.900 0.144 0.000 1.021 1154 G CA 0.878 46.096 45.100 0.197 0.000 0.798 1154 G HN 0.470 nan 8.290 nan 0.000 0.507 1155 D N -1.693 118.795 120.400 0.147 0.000 2.469 1155 D HA 0.295 4.935 4.640 -0.000 0.000 0.215 1155 D C 1.116 177.457 176.300 0.069 0.000 1.154 1155 D CA 0.527 54.594 54.000 0.112 0.000 0.832 1155 D CB -0.400 40.487 40.800 0.144 0.000 1.008 1155 D HN 0.564 nan 8.370 nan 0.000 0.506 1156 S N -0.368 115.356 115.700 0.040 0.000 3.476 1156 S HA -0.197 4.273 4.470 -0.000 0.000 0.309 1156 S C 0.642 175.239 174.600 -0.004 0.000 1.222 1156 S CA 0.876 59.064 58.200 -0.019 0.000 0.922 1156 S CB -1.604 61.575 63.200 -0.035 0.000 1.023 1156 S HN 0.564 nan 8.310 nan 0.000 0.591 1157 K N 0.782 121.206 120.400 0.041 0.000 2.564 1157 K HA 0.187 4.507 4.320 -0.000 0.000 0.205 1157 K C 0.426 177.064 176.600 0.064 0.000 1.053 1157 K CA 0.505 56.827 56.287 0.059 0.000 1.072 1157 K CB 1.051 33.605 32.500 0.091 0.000 0.822 1157 K HN 0.624 nan 8.250 nan 0.000 0.497 1158 T N -3.264 111.307 114.554 0.028 0.000 2.812 1158 T HA 0.586 4.936 4.350 -0.000 0.000 0.294 1158 T C -1.115 173.601 174.700 0.026 0.000 1.159 1158 T CA -0.841 61.242 62.100 -0.029 0.000 1.008 1158 T CB 2.141 70.840 68.868 -0.281 0.000 1.289 1158 T HN -0.128 nan 8.240 nan 0.000 0.514 1159 V N 0.404 120.269 119.914 -0.083 0.000 2.777 1159 V HA 0.709 4.829 4.120 -0.000 0.000 0.306 1159 V C -1.274 174.583 176.094 -0.395 0.000 1.112 1159 V CA -0.312 61.868 62.300 -0.199 0.000 0.917 1159 V CB 2.199 33.916 31.823 -0.177 0.000 1.018 1159 V HN 1.217 nan 8.190 nan 0.000 0.426 1160 S N 6.702 122.124 115.700 -0.464 0.000 2.532 1160 S HA 0.838 5.308 4.470 -0.000 0.000 0.301 1160 S C -0.920 173.359 174.600 -0.535 0.000 1.083 1160 S CA -0.613 57.229 58.200 -0.597 0.000 1.025 1160 S CB 1.618 64.478 63.200 -0.566 0.000 1.056 1160 S HN 0.681 nan 8.310 nan 0.000 0.494 1161 L N 1.147 122.005 121.223 -0.609 0.000 2.388 1161 L HA 0.590 4.930 4.340 -0.000 0.000 0.264 1161 L C -0.882 175.841 176.870 -0.245 0.000 0.998 1161 L CA -0.755 53.864 54.840 -0.369 0.000 0.817 1161 L CB 1.933 43.776 42.059 -0.360 0.000 1.338 1161 L HN 0.682 nan 8.230 nan 0.000 0.414 1162 C N 3.608 122.889 119.300 -0.032 0.000 2.258 1162 C HA 0.697 5.157 4.460 -0.000 0.000 0.321 1162 C C -0.213 174.838 174.990 0.101 0.000 1.168 1162 C CA -0.317 58.781 59.018 0.133 0.000 1.531 1162 C CB -0.011 27.898 27.740 0.282 0.000 2.095 1162 C HN 0.525 nan 8.230 nan 0.000 0.449 1163 V N 7.355 127.317 119.914 0.079 0.000 2.409 1163 V HA 0.431 4.551 4.120 -0.000 0.000 0.291 1163 V C -0.010 176.176 176.094 0.154 0.000 1.020 1163 V CA -0.540 61.799 62.300 0.064 0.000 0.848 1163 V CB 1.531 33.289 31.823 -0.108 0.000 0.990 1163 V HN 0.692 nan 8.190 nan 0.000 0.430 1164 K N 5.023 125.526 120.400 0.172 0.000 2.248 1164 K HA 0.315 4.635 4.320 -0.000 0.000 0.281 1164 K C 0.087 176.786 176.600 0.166 0.000 1.054 1164 K CA -0.501 55.895 56.287 0.182 0.000 0.903 1164 K CB 0.700 33.304 32.500 0.173 0.000 1.077 1164 K HN 0.635 nan 8.250 nan 0.000 0.474 1165 R N 4.415 125.022 120.500 0.179 0.000 2.404 1165 R HA 0.010 4.350 4.340 -0.000 0.000 0.315 1165 R C -0.394 175.988 176.300 0.136 0.000 1.032 1165 R CA -0.381 55.797 56.100 0.129 0.000 0.992 1165 R CB 0.181 30.562 30.300 0.135 0.000 0.959 1165 R HN 0.348 nan 8.270 nan 0.000 0.428 1166 L N 6.492 127.796 121.223 0.135 0.000 2.261 1166 L HA 0.313 4.653 4.340 -0.000 0.000 0.289 1166 L C -1.115 175.870 176.870 0.192 0.000 1.059 1166 L CA 0.017 54.960 54.840 0.171 0.000 0.816 1166 L CB 1.387 43.553 42.059 0.179 0.000 1.191 1166 L HN 0.379 nan 8.230 nan 0.000 0.431 1167 V N 7.596 127.634 119.914 0.207 0.000 2.668 1167 V HA 0.701 4.821 4.120 -0.000 0.000 0.304 1167 V C -1.561 174.669 176.094 0.227 0.000 1.071 1167 V CA -0.281 62.110 62.300 0.152 0.000 0.894 1167 V CB 1.569 33.442 31.823 0.083 0.000 1.008 1167 V HN 0.804 nan 8.190 nan 0.000 0.425 1168 Y N 2.663 122.984 120.300 0.036 0.000 2.638 1168 Y HA 0.798 5.348 4.550 -0.000 0.000 0.335 1168 Y C 0.040 175.957 175.900 0.028 0.000 1.155 1168 Y CA -0.194 57.926 58.100 0.033 0.000 1.046 1168 Y CB 1.838 40.319 38.460 0.035 0.000 1.303 1168 Y HN 0.491 nan 8.280 nan 0.000 0.460 1169 T N -2.202 112.414 114.554 0.104 0.000 3.186 1169 T HA 0.226 4.576 4.350 -0.000 0.000 0.292 1169 T C 0.517 175.320 174.700 0.172 0.000 0.915 1169 T CA 0.493 62.614 62.100 0.035 0.000 0.902 1169 T CB -0.346 68.531 68.868 0.015 0.000 1.192 1169 T HN 1.026 nan 8.240 nan 0.000 0.563 1170 N N 2.130 121.005 118.700 0.293 0.000 1.712 1170 N HA -0.296 4.444 4.740 -0.000 0.000 0.212 1170 N C 0.277 175.858 175.510 0.117 0.000 0.853 1170 N CA 3.216 56.386 53.050 0.200 0.000 4.255 1170 N CB -1.279 37.304 38.487 0.159 0.000 0.684 1170 N HN 0.608 nan 8.380 nan 0.000 0.241 1171 D N -2.711 117.745 120.400 0.093 0.000 2.410 1171 D HA 0.328 4.968 4.640 -0.000 0.000 0.218 1171 D C -0.203 176.128 176.300 0.051 0.000 1.359 1171 D CA 0.297 54.335 54.000 0.064 0.000 1.348 1171 D CB 0.143 40.973 40.800 0.051 0.000 1.797 1171 D HN 0.359 nan 8.370 nan 0.000 0.409 1172 K N -0.391 120.037 120.400 0.046 0.000 2.556 1172 K HA 0.651 4.971 4.320 -0.000 0.000 0.274 1172 K C -0.171 176.445 176.600 0.026 0.000 0.966 1172 K CA 0.185 56.490 56.287 0.031 0.000 0.865 1172 K CB 2.106 34.621 32.500 0.025 0.000 1.444 1172 K HN 0.473 nan 8.250 nan 0.000 0.433 1173 G N 1.136 109.944 108.800 0.013 0.000 2.250 1173 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.196 1173 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.196 1173 G C -1.456 173.439 174.900 -0.010 0.000 1.308 1173 G CA -0.121 44.983 45.100 0.006 0.000 1.207 1173 G HN 0.801 nan 8.290 nan 0.000 0.505 1174 E N 0.509 120.697 120.200 -0.021 0.000 2.383 1174 E HA 0.484 4.834 4.350 -0.000 0.000 0.264 1174 E C -0.167 176.382 176.600 -0.085 0.000 1.050 1174 E CA -0.160 56.214 56.400 -0.044 0.000 0.896 1174 E CB 1.645 31.319 29.700 -0.043 0.000 0.982 1174 E HN 0.586 nan 8.360 nan 0.000 0.424 1175 E N 2.540 122.684 120.200 -0.094 0.000 2.109 1175 E HA 0.252 4.602 4.350 -0.000 0.000 0.278 1175 E C -1.471 175.013 176.600 -0.195 0.000 0.954 1175 E CA -0.760 55.558 56.400 -0.137 0.000 0.779 1175 E CB 1.624 31.278 29.700 -0.077 0.000 1.093 1175 E HN 0.396 nan 8.360 nan 0.000 0.401 1176 V N 4.758 124.446 119.914 -0.376 0.000 2.513 1176 V HA 0.481 4.601 4.120 -0.000 0.000 0.299 1176 V C -1.081 174.803 176.094 -0.349 0.000 1.035 1176 V CA -0.584 61.486 62.300 -0.383 0.000 0.889 1176 V CB 1.530 33.066 31.823 -0.480 0.000 0.988 1176 V HN 0.649 nan 8.190 nan 0.000 0.440 1177 K N 4.709 125.025 120.400 -0.141 0.000 2.164 1177 K HA 0.622 4.942 4.320 -0.000 0.000 0.258 1177 K C 0.163 176.781 176.600 0.030 0.000 0.951 1177 K CA -0.364 55.903 56.287 -0.034 0.000 0.844 1177 K CB 1.854 34.344 32.500 -0.018 0.000 1.099 1177 K HN 0.919 nan 8.250 nan 0.000 0.435 1178 G N 1.364 110.225 108.800 0.100 0.000 2.360 1178 G HA2 0.090 4.050 3.960 -0.000 0.000 0.279 1178 G HA3 0.090 4.050 3.960 -0.000 0.000 0.279 1178 G C 1.013 175.939 174.900 0.042 0.000 1.189 1178 G CA -0.461 44.704 45.100 0.109 0.000 0.941 1178 G HN 0.499 nan 8.290 nan 0.000 0.445 1179 V N 3.967 123.869 119.914 -0.019 0.000 2.215 1179 V HA -0.306 3.814 4.120 -0.000 0.000 0.249 1179 V C 2.655 178.720 176.094 -0.048 0.000 1.054 1179 V CA 2.803 65.041 62.300 -0.103 0.000 1.012 1179 V CB -0.955 30.655 31.823 -0.355 0.000 0.639 1179 V HN 0.751 nan 8.190 nan 0.000 0.448 1180 C N 1.050 120.323 119.300 -0.046 0.000 2.432 1180 C HA -0.120 4.340 4.460 -0.000 0.000 0.277 1180 C C 3.386 178.458 174.990 0.137 0.000 1.249 1180 C CA 2.159 61.219 59.018 0.069 0.000 1.725 1180 C CB -1.370 26.445 27.740 0.125 0.000 2.028 1180 C HN 0.943 nan 8.230 nan 0.000 0.477 1181 S N 0.778 116.549 115.700 0.118 0.000 2.368 1181 S HA -0.179 4.291 4.470 -0.000 0.000 0.225 1181 S C 1.621 176.213 174.600 -0.013 0.000 1.030 1181 S CA 1.809 60.045 58.200 0.059 0.000 0.999 1181 S CB -0.743 62.526 63.200 0.115 0.000 0.844 1181 S HN 0.734 nan 8.310 nan 0.000 0.459 1182 N N 0.457 119.164 118.700 0.012 0.000 2.331 1182 N HA 0.048 4.788 4.740 -0.000 0.000 0.180 1182 N C 1.364 176.837 175.510 -0.061 0.000 1.019 1182 N CA 0.977 54.003 53.050 -0.041 0.000 0.881 1182 N CB -0.326 38.157 38.487 -0.007 0.000 0.972 1182 N HN 0.541 nan 8.380 nan 0.000 0.435 1183 F N 2.047 121.921 119.950 -0.127 0.000 2.113 1183 F HA -0.018 4.509 4.527 0.000 0.000 0.297 1183 F C 2.086 177.791 175.800 -0.159 0.000 1.103 1183 F CA 0.933 58.857 58.000 -0.128 0.000 1.248 1183 F CB -0.371 38.565 39.000 -0.106 0.000 0.999 1183 F HN -0.128 nan 8.300 nan 0.000 0.475 1184 L N -0.490 120.620 121.223 -0.189 0.000 1.994 1184 L HA -0.275 4.065 4.340 -0.000 0.000 0.208 1184 L C 2.621 179.256 176.870 -0.392 0.000 1.071 1184 L CA 1.528 56.199 54.840 -0.282 0.000 0.745 1184 L CB -1.157 40.793 42.059 -0.181 0.000 0.892 1184 L HN 0.226 nan 8.230 nan 0.000 0.431 1185 C N -0.061 118.968 119.300 -0.452 0.000 2.409 1185 C HA -0.150 4.310 4.460 -0.000 0.000 0.284 1185 C C 1.900 176.326 174.990 -0.940 0.000 1.354 1185 C CA 0.501 59.002 59.018 -0.861 0.000 1.787 1185 C CB -0.999 26.188 27.740 -0.922 0.000 1.900 1185 C HN 0.522 nan 8.230 nan 0.000 0.520 1186 D N 0.299 120.347 120.400 -0.586 0.000 2.339 1186 D HA 0.169 4.809 4.640 -0.000 0.000 0.217 1186 D C 0.609 176.668 176.300 -0.401 0.000 1.050 1186 D CA 0.126 53.849 54.000 -0.462 0.000 0.856 1186 D CB -0.115 40.502 40.800 -0.304 0.000 0.922 1186 D HN 0.459 nan 8.370 nan 0.000 0.518 1187 L N 1.285 122.242 121.223 -0.443 0.000 2.490 1187 L HA 0.000 4.340 4.340 -0.000 0.000 0.274 1187 L C 0.822 177.575 176.870 -0.196 0.000 1.201 1187 L CA 0.525 55.156 54.840 -0.348 0.000 0.869 1187 L CB 0.489 42.365 42.059 -0.306 0.000 1.123 1187 L HN -0.345 nan 8.230 nan 0.000 0.484 1188 K N 3.758 124.074 120.400 -0.140 0.000 2.207 1188 K HA 0.447 4.767 4.320 -0.000 0.000 0.255 1188 K C -2.360 174.223 176.600 -0.027 0.000 0.941 1188 K CA -2.182 54.067 56.287 -0.063 0.000 0.825 1188 K CB 1.645 34.111 32.500 -0.056 0.000 1.119 1188 K HN 0.150 nan 8.250 nan 0.000 0.430 1189 P HA -0.001 nan 4.420 nan 0.000 0.262 1189 P C 0.608 177.917 177.300 0.015 0.000 1.182 1189 P CA 1.030 64.152 63.100 0.036 0.000 0.761 1189 P CB 0.403 32.135 31.700 0.054 0.000 0.795 1190 G N 1.769 110.578 108.800 0.016 0.000 2.238 1190 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.217 1190 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.217 1190 G C 0.400 175.285 174.900 -0.025 0.000 0.996 1190 G CA -0.053 45.047 45.100 0.000 0.000 0.632 1190 G HN 0.831 nan 8.290 nan 0.000 0.503 1191 A N 0.674 123.466 122.820 -0.046 0.000 2.351 1191 A HA 0.566 4.886 4.320 -0.000 0.000 0.257 1191 A C 0.248 177.771 177.584 -0.101 0.000 1.087 1191 A CA 0.248 52.239 52.037 -0.078 0.000 0.798 1191 A CB 0.300 19.229 19.000 -0.119 0.000 1.033 1191 A HN 0.350 nan 8.150 nan 0.000 0.488 1192 D N -0.275 120.066 120.400 -0.098 0.000 2.348 1192 D HA 0.433 5.073 4.640 -0.000 0.000 0.249 1192 D C -0.832 175.380 176.300 -0.147 0.000 1.110 1192 D CA 0.040 53.964 54.000 -0.128 0.000 0.967 1192 D CB 1.848 42.585 40.800 -0.105 0.000 1.139 1192 D HN 0.323 nan 8.370 nan 0.000 0.466 1193 V N 0.638 120.420 119.914 -0.220 0.000 2.817 1193 V HA 0.163 4.283 4.120 -0.000 0.000 0.303 1193 V C -1.442 174.521 176.094 -0.218 0.000 1.151 1193 V CA -0.842 61.328 62.300 -0.216 0.000 0.929 1193 V CB 2.012 33.515 31.823 -0.533 0.000 1.030 1193 V HN 0.402 nan 8.190 nan 0.000 0.427 1194 K N 6.943 127.263 120.400 -0.133 0.000 2.312 1194 K HA 0.601 4.921 4.320 -0.000 0.000 0.287 1194 K C -0.815 175.737 176.600 -0.080 0.000 1.062 1194 K CA -0.005 56.207 56.287 -0.126 0.000 0.934 1194 K CB 1.067 33.507 32.500 -0.100 0.000 1.027 1194 K HN 0.577 nan 8.250 nan 0.000 0.478 1195 I N 2.081 122.615 120.570 -0.061 0.000 2.530 1195 I HA 0.266 4.436 4.170 -0.000 0.000 0.297 1195 I C 0.320 176.471 176.117 0.056 0.000 1.011 1195 I CA -0.693 60.620 61.300 0.022 0.000 1.107 1195 I CB 2.177 40.226 38.000 0.082 0.000 1.285 1195 I HN 0.645 nan 8.210 nan 0.000 0.436 1196 T N 1.207 115.822 114.554 0.102 0.000 2.916 1196 T HA 0.947 5.297 4.350 -0.000 0.000 0.292 1196 T C -0.036 174.767 174.700 0.171 0.000 1.064 1196 T CA -0.213 61.984 62.100 0.162 0.000 1.011 1196 T CB 2.072 71.008 68.868 0.114 0.000 1.152 1196 T HN 1.258 nan 8.240 nan 0.000 0.510 1197 G N 1.113 110.034 108.800 0.201 0.000 2.396 1197 G HA2 0.165 4.125 3.960 -0.000 0.000 0.254 1197 G HA3 0.165 4.125 3.960 -0.000 0.000 0.254 1197 G C -3.214 171.794 174.900 0.180 0.000 1.248 1197 G CA -0.697 44.490 45.100 0.145 0.000 1.033 1197 G HN 0.849 nan 8.290 nan 0.000 0.502 1198 P HA 0.484 nan 4.420 nan 0.000 0.270 1198 P C -0.270 177.064 177.300 0.058 0.000 1.223 1198 P CA -0.300 62.855 63.100 0.092 0.000 0.785 1198 P CB 1.075 32.841 31.700 0.111 0.000 0.923 1199 V N 0.831 120.768 119.914 0.038 0.000 2.823 1199 V HA 0.846 4.966 4.120 -0.000 0.000 0.312 1199 V C 0.253 176.360 176.094 0.021 0.000 1.072 1199 V CA 0.048 62.362 62.300 0.023 0.000 0.937 1199 V CB 1.215 33.043 31.823 0.008 0.000 1.013 1199 V HN 0.973 nan 8.190 nan 0.000 0.430 1200 G N 3.242 112.055 108.800 0.023 0.000 2.788 1200 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.686 1200 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.686 1200 G C -0.452 174.473 174.900 0.042 0.000 1.147 1200 G CA -0.025 45.094 45.100 0.032 0.000 0.755 1200 G HN 0.754 nan 8.290 nan 0.000 0.634 1201 K N 0.327 120.758 120.400 0.051 0.000 2.589 1201 K HA 0.111 4.431 4.320 -0.000 0.000 0.218 1201 K C 1.603 178.254 176.600 0.084 0.000 1.468 1201 K CA 0.437 56.757 56.287 0.055 0.000 1.002 1201 K CB 0.937 33.460 32.500 0.038 0.000 1.200 1201 K HN 0.452 nan 8.250 nan 0.000 0.614 1202 E N 1.454 121.711 120.200 0.096 0.000 2.047 1202 E HA -0.057 4.293 4.350 -0.000 0.000 0.191 1202 E C 1.300 178.030 176.600 0.216 0.000 0.987 1202 E CA 1.413 57.888 56.400 0.125 0.000 0.799 1202 E CB 0.168 29.930 29.700 0.103 0.000 0.752 1202 E HN 0.013 nan 8.360 nan 0.000 0.449 1203 M N 1.088 120.832 119.600 0.240 0.000 2.571 1203 M HA 0.205 4.685 4.480 -0.000 0.000 0.235 1203 M C -0.236 176.307 176.300 0.405 0.000 1.216 1203 M CA 0.052 55.587 55.300 0.391 0.000 0.979 1203 M CB -0.637 32.110 32.600 0.246 0.000 1.616 1203 M HN 0.070 nan 8.290 nan 0.000 0.469 1204 L N 0.662 122.042 121.223 0.262 0.000 2.439 1204 L HA 0.256 4.596 4.340 -0.000 0.000 0.269 1204 L C 0.707 177.555 176.870 -0.037 0.000 1.179 1204 L CA -0.221 54.665 54.840 0.077 0.000 0.828 1204 L CB 0.492 42.559 42.059 0.014 0.000 1.106 1204 L HN 0.223 nan 8.230 nan 0.000 0.467 1205 M N 3.688 123.020 119.600 -0.447 0.000 2.245 1205 M HA 0.171 4.651 4.480 -0.000 0.000 0.330 1205 M C -2.085 174.009 176.300 -0.345 0.000 1.098 1205 M CA -1.392 53.496 55.300 -0.687 0.000 1.172 1205 M CB 0.128 32.146 32.600 -0.971 0.000 1.467 1205 M HN 0.298 nan 8.290 nan 0.000 0.454 1206 P HA 0.091 nan 4.420 nan 0.000 0.275 1206 P C -0.605 176.565 177.300 -0.216 0.000 1.228 1206 P CA -0.059 62.781 63.100 -0.434 0.000 0.786 1206 P CB 0.853 32.064 31.700 -0.814 0.000 0.927 1207 K N 0.322 120.633 120.400 -0.148 0.000 2.057 1207 K HA -0.100 4.220 4.320 -0.000 0.000 0.206 1207 K C 0.722 177.358 176.600 0.060 0.000 1.050 1207 K CA 0.993 57.256 56.287 -0.041 0.000 0.935 1207 K CB -0.333 32.155 32.500 -0.020 0.000 0.715 1207 K HN 0.531 nan 8.250 nan 0.000 0.439 1208 D N 1.476 121.913 120.400 0.061 0.000 2.412 1208 D HA -0.030 4.610 4.640 -0.000 0.000 0.257 1208 D C -1.650 174.737 176.300 0.145 0.000 1.217 1208 D CA -1.647 52.416 54.000 0.105 0.000 0.897 1208 D CB 1.103 41.986 40.800 0.138 0.000 1.132 1208 D HN 0.048 nan 8.370 nan 0.000 0.493 1209 P HA -0.025 nan 4.420 nan 0.000 0.242 1209 P C -0.059 177.126 177.300 -0.191 0.000 1.197 1209 P CA 0.390 63.473 63.100 -0.027 0.000 0.765 1209 P CB 0.446 32.031 31.700 -0.191 0.000 0.936 1210 N N -0.390 118.249 118.700 -0.102 0.000 2.235 1210 N HA 0.196 4.936 4.740 -0.000 0.000 0.231 1210 N C 0.469 175.963 175.510 -0.026 0.000 1.177 1210 N CA -0.138 52.810 53.050 -0.170 0.000 0.874 1210 N CB 1.063 39.489 38.487 -0.101 0.000 1.097 1210 N HN 0.101 nan 8.380 nan 0.000 0.518 1211 A N 0.519 123.416 122.820 0.130 0.000 2.296 1211 A HA 0.480 4.800 4.320 -0.000 0.000 0.264 1211 A C 0.348 178.142 177.584 0.349 0.000 1.097 1211 A CA 0.166 52.384 52.037 0.301 0.000 0.811 1211 A CB 0.340 19.608 19.000 0.447 0.000 1.072 1211 A HN 0.059 nan 8.150 nan 0.000 0.495 1212 T N 0.927 115.707 114.554 0.377 0.000 2.743 1212 T HA 0.434 4.784 4.350 -0.000 0.000 0.292 1212 T C -0.658 174.320 174.700 0.463 0.000 0.972 1212 T CA -0.133 62.189 62.100 0.371 0.000 0.967 1212 T CB 0.779 69.804 68.868 0.262 0.000 0.926 1212 T HN 0.772 nan 8.240 nan 0.000 0.459 1213 V N 6.602 126.805 119.914 0.482 0.000 2.350 1213 V HA 0.518 4.638 4.120 -0.000 0.000 0.285 1213 V C -0.927 175.381 176.094 0.357 0.000 1.014 1213 V CA -0.912 61.663 62.300 0.460 0.000 0.831 1213 V CB 0.529 32.594 31.823 0.403 0.000 1.000 1213 V HN 0.736 nan 8.190 nan 0.000 0.433 1214 I N 7.896 128.642 120.570 0.294 0.000 2.330 1214 I HA 0.420 4.590 4.170 -0.000 0.000 0.289 1214 I C -0.088 176.026 176.117 -0.005 0.000 1.001 1214 I CA -0.202 61.193 61.300 0.158 0.000 1.193 1214 I CB 1.584 39.633 38.000 0.082 0.000 1.345 1214 I HN 0.581 nan 8.210 nan 0.000 0.461 1215 M N 7.586 127.077 119.600 -0.182 0.000 2.129 1215 M HA 0.457 4.937 4.480 -0.000 0.000 0.348 1215 M C -0.706 175.294 176.300 -0.501 0.000 1.116 1215 M CA -0.256 54.597 55.300 -0.745 0.000 1.022 1215 M CB 1.477 33.320 32.600 -1.261 0.000 1.599 1215 M HN 0.294 nan 8.290 nan 0.000 0.449 1216 L N 3.493 124.484 121.223 -0.387 0.000 2.301 1216 L HA 0.783 5.123 4.340 -0.000 0.000 0.278 1216 L C 0.234 177.211 176.870 0.178 0.000 1.022 1216 L CA -0.577 54.220 54.840 -0.071 0.000 0.854 1216 L CB 1.003 42.988 42.059 -0.122 0.000 1.226 1216 L HN 0.819 nan 8.230 nan 0.000 0.429 1217 G N 1.032 110.008 108.800 0.293 0.000 2.605 1217 G HA2 0.794 4.754 3.960 -0.000 0.000 0.296 1217 G HA3 0.794 4.754 3.960 -0.000 0.000 0.296 1217 G C -0.934 174.111 174.900 0.243 0.000 1.304 1217 G CA -0.481 44.856 45.100 0.395 0.000 0.941 1217 G HN 0.361 nan 8.290 nan 0.000 0.475 1218 T N -2.068 112.589 114.554 0.172 0.000 2.921 1218 T HA 0.680 5.030 4.350 -0.000 0.000 0.297 1218 T C 0.901 175.669 174.700 0.114 0.000 1.013 1218 T CA 0.487 62.666 62.100 0.133 0.000 0.990 1218 T CB 1.320 70.236 68.868 0.080 0.000 1.023 1218 T HN 2.366 nan 8.240 nan 0.000 0.447 1219 G N 3.135 112.012 108.800 0.129 0.000 2.651 1219 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.315 1219 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.315 1219 G C 1.226 176.222 174.900 0.159 0.000 1.258 1219 G CA 1.607 46.781 45.100 0.123 0.000 1.002 1219 G HN 2.028 nan 8.290 nan 0.000 0.551 1220 T N -0.687 113.973 114.554 0.177 0.000 3.077 1220 T HA 0.230 4.580 4.350 -0.000 0.000 0.269 1220 T C 2.307 177.135 174.700 0.212 0.000 1.146 1220 T CA 1.505 63.738 62.100 0.221 0.000 1.091 1220 T CB -0.457 68.567 68.868 0.261 0.000 0.892 1220 T HN 1.761 nan 8.240 nan 0.000 0.533 1221 G N 1.043 109.938 108.800 0.158 0.000 2.653 1221 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.212 1221 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.212 1221 G C 1.174 176.027 174.900 -0.078 0.000 1.138 1221 G CA 0.277 45.406 45.100 0.048 0.000 0.782 1221 G HN 0.564 nan 8.290 nan 0.000 0.535 1222 I N 0.884 121.527 120.570 0.121 0.000 2.928 1222 I HA 0.182 4.352 4.170 -0.000 0.000 0.266 1222 I C 2.752 178.907 176.117 0.063 0.000 1.234 1222 I CA 0.666 62.103 61.300 0.229 0.000 1.483 1222 I CB -0.104 38.186 38.000 0.483 0.000 1.097 1222 I HN 0.164 nan 8.210 nan 0.000 0.455 1223 A N 2.431 125.259 122.820 0.014 0.000 1.870 1223 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 1223 A C 0.164 177.636 177.584 -0.187 0.000 1.224 1223 A CA 2.622 54.634 52.037 -0.042 0.000 0.650 1223 A CB -2.486 16.500 19.000 -0.023 0.000 0.836 1223 A HN 0.424 nan 8.150 nan 0.000 0.454 1224 P HA -0.146 nan 4.420 nan 0.000 0.217 1224 P C 1.143 178.134 177.300 -0.515 0.000 1.150 1224 P CA 1.281 64.115 63.100 -0.444 0.000 0.832 1224 P CB -0.320 31.030 31.700 -0.584 0.000 0.787 1225 F N 0.679 120.397 119.950 -0.386 0.000 2.234 1225 F HA -0.006 4.521 4.527 -0.000 0.000 0.299 1225 F C 2.871 178.643 175.800 -0.047 0.000 1.087 1225 F CA 0.406 58.175 58.000 -0.387 0.000 1.340 1225 F CB -1.645 37.221 39.000 -0.223 0.000 1.031 1225 F HN -0.112 nan 8.300 nan 0.000 0.500 1226 R N -0.037 120.593 120.500 0.216 0.000 2.092 1226 R HA -0.139 4.201 4.340 -0.000 0.000 0.231 1226 R C 2.527 178.946 176.300 0.198 0.000 1.119 1226 R CA 1.384 57.651 56.100 0.279 0.000 0.970 1226 R CB -0.464 29.830 30.300 -0.010 0.000 0.864 1226 R HN 0.226 nan 8.270 nan 0.000 0.440 1227 S N -0.159 115.593 115.700 0.087 0.000 2.359 1227 S HA -0.136 4.334 4.470 -0.000 0.000 0.224 1227 S C 1.683 176.462 174.600 0.299 0.000 1.035 1227 S CA 1.200 59.477 58.200 0.128 0.000 1.018 1227 S CB -0.287 62.982 63.200 0.114 0.000 0.876 1227 S HN 0.337 nan 8.310 nan 0.000 0.448 1228 F N 1.777 121.730 119.950 0.006 0.000 2.075 1228 F HA 0.019 4.546 4.527 -0.000 0.000 0.297 1228 F C 2.160 177.905 175.800 -0.092 0.000 1.113 1228 F CA 0.718 58.674 58.000 -0.073 0.000 1.218 1228 F CB -1.160 37.785 39.000 -0.091 0.000 0.984 1228 F HN 0.196 nan 8.300 nan 0.000 0.472 1229 L N -2.374 118.964 121.223 0.192 0.000 2.083 1229 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 1229 L C 2.340 179.177 176.870 -0.055 0.000 1.083 1229 L CA 1.093 55.938 54.840 0.009 0.000 0.752 1229 L CB -0.780 41.315 42.059 0.059 0.000 0.899 1229 L HN 0.167 nan 8.230 nan 0.000 0.433 1230 W N 0.796 122.020 121.300 -0.126 0.000 2.355 1230 W HA -0.209 4.451 4.660 0.000 0.000 0.309 1230 W C 2.799 179.331 176.519 0.022 0.000 1.206 1230 W CA 1.578 58.880 57.345 -0.072 0.000 1.284 1230 W CB -0.265 29.229 29.460 0.057 0.000 1.145 1230 W HN 0.044 nan 8.180 nan 0.000 0.502 1231 K N -0.282 120.267 120.400 0.248 0.000 2.057 1231 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 1231 K C 1.948 178.634 176.600 0.143 0.000 1.049 1231 K CA 1.809 58.227 56.287 0.219 0.000 0.931 1231 K CB -0.356 32.172 32.500 0.046 0.000 0.714 1231 K HN 0.093 nan 8.250 nan 0.000 0.440 1232 M N -0.790 118.726 119.600 -0.140 0.000 2.132 1232 M HA -0.068 4.412 4.480 -0.000 0.000 0.263 1232 M C 1.112 177.003 176.300 -0.683 0.000 1.065 1232 M CA 1.544 56.527 55.300 -0.528 0.000 1.122 1232 M CB 0.048 31.881 32.600 -1.278 0.000 1.365 1232 M HN 0.087 nan 8.290 nan 0.000 0.411 1233 F N -2.875 117.031 119.950 -0.074 0.000 2.746 1233 F HA 0.217 4.744 4.527 -0.000 0.000 0.313 1233 F C 1.377 177.250 175.800 0.121 0.000 1.095 1233 F CA -0.152 57.811 58.000 -0.062 0.000 1.224 1233 F CB 0.144 38.997 39.000 -0.245 0.000 1.060 1233 F HN -0.050 nan 8.300 nan 0.000 0.584 1234 F N 0.616 120.533 119.950 -0.055 0.000 2.717 1234 F HA 0.278 4.805 4.527 0.000 0.000 0.295 1234 F C 0.583 176.319 175.800 -0.106 0.000 1.117 1234 F CA -0.261 57.620 58.000 -0.197 0.000 1.361 1234 F CB -0.359 38.279 39.000 -0.604 0.000 1.112 1234 F HN -0.106 nan 8.300 nan 0.000 0.594 1235 E N 0.476 120.764 120.200 0.146 0.000 2.207 1235 E HA 0.284 4.634 4.350 -0.000 0.000 0.270 1235 E C -0.300 176.249 176.600 -0.085 0.000 0.927 1235 E CA -0.876 55.519 56.400 -0.008 0.000 0.799 1235 E CB 1.584 31.250 29.700 -0.057 0.000 1.172 1235 E HN -0.272 nan 8.360 nan 0.000 0.404 1236 K N 2.880 123.177 120.400 -0.173 0.000 2.266 1236 K HA 0.276 4.596 4.320 -0.000 0.000 0.274 1236 K C -0.815 175.670 176.600 -0.192 0.000 1.090 1236 K CA -0.325 55.900 56.287 -0.104 0.000 0.925 1236 K CB 0.381 32.848 32.500 -0.055 0.000 1.225 1236 K HN 0.466 nan 8.250 nan 0.000 0.458 1237 H N 2.061 121.181 119.070 0.084 0.000 2.511 1237 H HA 0.130 4.686 4.556 0.000 0.000 0.328 1237 H C 0.439 175.812 175.328 0.076 0.000 1.044 1237 H CA -0.464 55.639 56.048 0.092 0.000 1.212 1237 H CB 1.605 31.458 29.762 0.151 0.000 1.428 1237 H HN 0.450 nan 8.280 nan 0.000 0.483 1238 D N 1.470 121.971 120.400 0.168 0.000 2.117 1238 D HA -0.149 4.491 4.640 -0.000 0.000 0.198 1238 D C 1.338 177.703 176.300 0.109 0.000 0.982 1238 D CA 1.200 55.262 54.000 0.104 0.000 0.828 1238 D CB 0.168 41.011 40.800 0.071 0.000 0.967 1238 D HN 0.684 nan 8.370 nan 0.000 0.464 1239 D N -1.224 119.255 120.400 0.132 0.000 2.363 1239 D HA -0.170 4.470 4.640 -0.000 0.000 0.220 1239 D C 0.105 176.516 176.300 0.184 0.000 0.994 1239 D CA 0.186 54.253 54.000 0.112 0.000 0.890 1239 D CB -0.315 40.527 40.800 0.071 0.000 0.906 1239 D HN 0.211 nan 8.370 nan 0.000 0.530 1240 Y N 0.690 121.018 120.300 0.046 0.000 2.333 1240 Y HA 0.383 4.933 4.550 0.000 0.000 0.324 1240 Y C -1.053 174.898 175.900 0.085 0.000 1.033 1240 Y CA -1.202 56.919 58.100 0.033 0.000 1.224 1240 Y CB 1.350 39.782 38.460 -0.046 0.000 1.120 1240 Y HN -0.320 nan 8.280 nan 0.000 0.457 1241 K N 7.079 127.311 120.400 -0.279 0.000 2.646 1241 K HA 0.193 4.513 4.320 -0.000 0.000 0.210 1241 K C -1.258 175.144 176.600 -0.331 0.000 1.020 1241 K CA -0.679 55.486 56.287 -0.204 0.000 1.040 1241 K CB 1.077 33.526 32.500 -0.085 0.000 1.253 1241 K HN 0.498 nan 8.250 nan 0.000 0.532 1242 F N 2.251 121.847 119.950 -0.590 0.000 2.557 1242 F HA 0.006 4.533 4.527 -0.000 0.000 0.384 1242 F C 0.320 176.010 175.800 -0.183 0.000 1.057 1242 F CA 0.670 58.381 58.000 -0.482 0.000 1.169 1242 F CB 0.282 38.985 39.000 -0.495 0.000 1.070 1242 F HN 0.479 nan 8.300 nan 0.000 0.554 1243 N N 3.206 121.456 118.700 -0.749 0.000 2.299 1243 N HA 0.248 4.988 4.740 -0.000 0.000 0.246 1243 N C 0.423 175.556 175.510 -0.629 0.000 1.254 1243 N CA -0.262 52.491 53.050 -0.496 0.000 0.879 1243 N CB 0.542 38.875 38.487 -0.257 0.000 1.214 1243 N HN 0.721 nan 8.380 nan 0.000 0.510 1244 G N 0.027 108.029 108.800 -1.330 0.000 2.736 1244 G HA2 0.488 4.448 3.960 -0.000 0.000 0.229 1244 G HA3 0.488 4.448 3.960 -0.000 0.000 0.229 1244 G C -1.147 173.605 174.900 -0.246 0.000 1.380 1244 G CA -0.323 44.346 45.100 -0.719 0.000 1.040 1244 G HN 0.097 nan 8.290 nan 0.000 0.568 1245 L N 0.357 121.687 121.223 0.177 0.000 2.305 1245 L HA 0.768 5.108 4.340 -0.000 0.000 0.284 1245 L C 0.091 177.311 176.870 0.584 0.000 1.013 1245 L CA -0.924 54.122 54.840 0.344 0.000 0.819 1245 L CB 1.030 43.208 42.059 0.198 0.000 1.227 1245 L HN 0.596 nan 8.230 nan 0.000 0.417 1246 A N 5.353 128.547 122.820 0.624 0.000 2.273 1246 A HA 0.551 4.871 4.320 -0.000 0.000 0.315 1246 A C -1.663 176.171 177.584 0.417 0.000 1.256 1246 A CA -0.446 51.902 52.037 0.518 0.000 0.851 1246 A CB 0.314 19.617 19.000 0.506 0.000 1.172 1246 A HN 0.739 nan 8.150 nan 0.000 0.508 1247 W N 4.695 126.052 121.300 0.096 0.000 2.362 1247 W HA 0.544 5.204 4.660 0.000 0.000 0.316 1247 W C -1.875 174.530 176.519 -0.192 0.000 1.024 1247 W CA -1.582 55.682 57.345 -0.135 0.000 1.270 1247 W CB 1.433 30.835 29.460 -0.097 0.000 1.273 1247 W HN 0.516 nan 8.180 nan 0.000 0.424 1248 L N 6.896 128.139 121.223 0.034 0.000 2.275 1248 L HA 0.573 4.913 4.340 -0.000 0.000 0.288 1248 L C -1.542 175.164 176.870 -0.272 0.000 1.046 1248 L CA -0.116 54.649 54.840 -0.125 0.000 0.805 1248 L CB 0.519 42.486 42.059 -0.154 0.000 1.193 1248 L HN 0.193 nan 8.230 nan 0.000 0.426 1249 F N 6.123 125.996 119.950 -0.128 0.000 2.449 1249 F HA 0.566 5.093 4.527 0.000 0.000 0.342 1249 F C -0.591 175.234 175.800 0.042 0.000 1.127 1249 F CA -0.531 57.432 58.000 -0.062 0.000 0.975 1249 F CB 1.815 40.738 39.000 -0.129 0.000 1.146 1249 F HN 0.330 nan 8.300 nan 0.000 0.444 1250 L N 3.713 125.129 121.223 0.322 0.000 2.372 1250 L HA 0.816 5.156 4.340 -0.000 0.000 0.274 1250 L C -0.422 176.648 176.870 0.334 0.000 0.988 1250 L CA -0.220 54.835 54.840 0.359 0.000 0.833 1250 L CB 1.611 43.949 42.059 0.466 0.000 1.236 1250 L HN 0.569 nan 8.230 nan 0.000 0.410 1251 G N 4.576 113.527 108.800 0.253 0.000 2.343 1251 G HA2 0.628 4.588 3.960 -0.000 0.000 0.319 1251 G HA3 0.628 4.588 3.960 -0.000 0.000 0.319 1251 G C -1.121 173.875 174.900 0.161 0.000 1.126 1251 G CA -0.122 45.102 45.100 0.207 0.000 0.889 1251 G HN 0.974 nan 8.290 nan 0.000 0.457 1252 V N 0.106 120.092 119.914 0.121 0.000 3.188 1252 V HA 0.736 4.856 4.120 -0.000 0.000 0.305 1252 V C -2.216 173.915 176.094 0.061 0.000 1.232 1252 V CA -1.916 60.432 62.300 0.081 0.000 1.043 1252 V CB 2.364 34.209 31.823 0.036 0.000 1.068 1252 V HN 0.452 nan 8.190 nan 0.000 0.439 1253 P HA 0.084 nan 4.420 nan 0.000 0.221 1253 P C 0.543 177.846 177.300 0.004 0.000 1.155 1253 P CA 1.573 64.696 63.100 0.037 0.000 0.812 1253 P CB 0.256 31.990 31.700 0.056 0.000 0.801 1254 T N -5.239 109.312 114.554 -0.005 0.000 2.887 1254 T HA 0.426 4.776 4.350 -0.000 0.000 0.292 1254 T C 1.059 175.732 174.700 -0.044 0.000 1.087 1254 T CA -0.446 61.642 62.100 -0.021 0.000 1.009 1254 T CB 1.361 70.219 68.868 -0.016 0.000 1.203 1254 T HN -0.288 nan 8.240 nan 0.000 0.518 1255 S N 0.827 116.497 115.700 -0.051 0.000 2.382 1255 S HA -0.096 4.374 4.470 -0.000 0.000 0.228 1255 S C 2.156 176.704 174.600 -0.086 0.000 1.027 1255 S CA 1.650 59.804 58.200 -0.077 0.000 0.991 1255 S CB -0.674 62.492 63.200 -0.056 0.000 0.823 1255 S HN 0.945 nan 8.310 nan 0.000 0.469 1256 S N 0.693 116.354 115.700 -0.065 0.000 2.595 1256 S HA 0.082 4.552 4.470 -0.000 0.000 0.235 1256 S C 1.240 175.792 174.600 -0.080 0.000 0.974 1256 S CA 0.534 58.691 58.200 -0.070 0.000 0.942 1256 S CB -0.133 63.035 63.200 -0.054 0.000 0.766 1256 S HN 0.298 nan 8.310 nan 0.000 0.536 1257 S N 0.570 116.226 115.700 -0.074 0.000 2.559 1257 S HA 0.371 4.841 4.470 -0.000 0.000 0.226 1257 S C -0.059 174.490 174.600 -0.085 0.000 1.000 1257 S CA -0.497 57.664 58.200 -0.064 0.000 0.948 1257 S CB -0.021 63.164 63.200 -0.024 0.000 0.870 1257 S HN 0.283 nan 8.310 nan 0.000 0.497 1258 L N 3.378 124.521 121.223 -0.132 0.000 2.407 1258 L HA 0.316 4.656 4.340 -0.000 0.000 0.282 1258 L C -0.341 176.435 176.870 -0.158 0.000 1.110 1258 L CA 0.101 54.828 54.840 -0.189 0.000 0.863 1258 L CB -0.577 41.282 42.059 -0.333 0.000 1.207 1258 L HN 0.225 nan 8.230 nan 0.000 0.454 1259 L N 5.960 127.118 121.223 -0.108 0.000 2.349 1259 L HA 0.175 4.515 4.340 -0.000 0.000 0.275 1259 L C 0.325 177.093 176.870 -0.171 0.000 1.115 1259 L CA -0.758 53.907 54.840 -0.292 0.000 0.820 1259 L CB 0.059 41.939 42.059 -0.300 0.000 1.135 1259 L HN 0.583 nan 8.230 nan 0.000 0.445 1260 Y N 0.420 120.687 120.300 -0.056 0.000 4.324 1260 Y HA -0.362 4.188 4.550 -0.000 0.000 0.224 1260 Y C 1.788 177.528 175.900 -0.267 0.000 1.113 1260 Y CA 1.029 58.984 58.100 -0.242 0.000 1.887 1260 Y CB -2.050 36.130 38.460 -0.468 0.000 1.602 1260 Y HN 0.652 nan 8.280 nan 0.000 0.654 1261 K N 0.793 121.228 120.400 0.057 0.000 2.052 1261 K HA -0.317 4.003 4.320 -0.000 0.000 0.215 1261 K C 1.981 178.708 176.600 0.210 0.000 1.053 1261 K CA 2.069 58.478 56.287 0.204 0.000 0.934 1261 K CB -0.196 32.327 32.500 0.038 0.000 0.717 1261 K HN 0.437 nan 8.250 nan 0.000 0.450 1262 E N 0.734 120.995 120.200 0.101 0.000 2.153 1262 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 1262 E C 1.801 178.475 176.600 0.122 0.000 0.988 1262 E CA 1.418 57.881 56.400 0.105 0.000 0.811 1262 E CB 0.054 29.790 29.700 0.060 0.000 0.746 1262 E HN 0.452 nan 8.360 nan 0.000 0.466 1263 E N -0.764 119.471 120.200 0.058 0.000 2.047 1263 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 1263 E C 1.975 178.645 176.600 0.116 0.000 0.987 1263 E CA 0.971 57.423 56.400 0.087 0.000 0.799 1263 E CB -0.184 29.493 29.700 -0.039 0.000 0.752 1263 E HN 0.228 nan 8.360 nan 0.000 0.449 1264 F N 1.263 121.375 119.950 0.270 0.000 2.234 1264 F HA -0.080 4.447 4.527 -0.000 0.000 0.299 1264 F C 2.290 178.263 175.800 0.288 0.000 1.087 1264 F CA 0.870 59.040 58.000 0.284 0.000 1.340 1264 F CB -0.662 38.600 39.000 0.438 0.000 1.031 1264 F HN -0.024 nan 8.300 nan 0.000 0.500 1265 E N 0.526 120.965 120.200 0.398 0.000 2.038 1265 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 1265 E C 2.186 178.909 176.600 0.206 0.000 1.000 1265 E CA 1.482 58.040 56.400 0.263 0.000 0.803 1265 E CB -0.114 29.709 29.700 0.205 0.000 0.750 1265 E HN 0.061 nan 8.360 nan 0.000 0.448 1266 K N 0.027 120.549 120.400 0.203 0.000 2.113 1266 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 1266 K C 1.882 178.605 176.600 0.205 0.000 1.047 1266 K CA 1.676 58.074 56.287 0.186 0.000 0.928 1266 K CB -0.105 32.528 32.500 0.221 0.000 0.716 1266 K HN 0.158 nan 8.250 nan 0.000 0.446 1267 M N -0.314 119.396 119.600 0.183 0.000 2.200 1267 M HA -0.101 4.379 4.480 -0.000 0.000 0.265 1267 M C 2.048 178.322 176.300 -0.043 0.000 1.066 1267 M CA 1.367 56.635 55.300 -0.054 0.000 1.127 1267 M CB -0.142 32.167 32.600 -0.484 0.000 1.379 1267 M HN -0.057 nan 8.290 nan 0.000 0.420 1268 K N 0.885 121.403 120.400 0.197 0.000 2.097 1268 K HA -0.159 4.161 4.320 -0.000 0.000 0.206 1268 K C 1.598 178.215 176.600 0.029 0.000 1.049 1268 K CA 1.627 58.009 56.287 0.158 0.000 0.933 1268 K CB -0.094 32.461 32.500 0.092 0.000 0.717 1268 K HN 0.085 nan 8.250 nan 0.000 0.442 1269 E N 0.490 120.717 120.200 0.044 0.000 2.031 1269 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 1269 E C 1.783 178.387 176.600 0.007 0.000 0.994 1269 E CA 1.563 57.976 56.400 0.022 0.000 0.800 1269 E CB 0.003 29.725 29.700 0.036 0.000 0.752 1269 E HN 0.274 nan 8.360 nan 0.000 0.447 1270 K N -0.637 119.773 120.400 0.015 0.000 2.057 1270 K HA 0.035 4.355 4.320 -0.000 0.000 0.206 1270 K C 0.526 177.121 176.600 -0.007 0.000 1.050 1270 K CA 1.219 57.517 56.287 0.018 0.000 0.935 1270 K CB 0.154 32.694 32.500 0.068 0.000 0.715 1270 K HN 0.033 nan 8.250 nan 0.000 0.439 1271 A N 1.466 124.232 122.820 -0.089 0.000 3.204 1271 A HA 0.232 4.552 4.320 -0.000 0.000 0.327 1271 A C -2.073 175.448 177.584 -0.105 0.000 0.998 1271 A CA -1.111 50.865 52.037 -0.102 0.000 0.891 1271 A CB 0.387 19.269 19.000 -0.197 0.000 1.061 1271 A HN -0.029 nan 8.150 nan 0.000 0.478 1272 P HA -0.184 nan 4.420 nan 0.000 0.219 1272 P C 0.418 177.666 177.300 -0.088 0.000 1.146 1272 P CA 1.447 64.502 63.100 -0.075 0.000 0.808 1272 P CB 0.365 32.030 31.700 -0.058 0.000 0.779 1273 E N -0.950 119.218 120.200 -0.053 0.000 2.474 1273 E HA 0.059 4.409 4.350 -0.000 0.000 0.195 1273 E C 1.031 177.623 176.600 -0.015 0.000 1.039 1273 E CA 0.239 56.609 56.400 -0.050 0.000 0.881 1273 E CB -0.278 29.402 29.700 -0.033 0.000 0.970 1273 E HN 0.394 nan 8.360 nan 0.000 0.486 1274 N N -0.696 118.027 118.700 0.039 0.000 2.317 1274 N HA 0.126 4.866 4.740 -0.000 0.000 0.199 1274 N C -0.798 174.878 175.510 0.277 0.000 1.145 1274 N CA -0.139 53.029 53.050 0.197 0.000 0.882 1274 N CB 0.667 39.390 38.487 0.393 0.000 1.113 1274 N HN -0.017 nan 8.380 nan 0.000 0.486 1275 F N 2.144 121.987 119.950 -0.178 0.000 2.444 1275 F HA 0.520 5.047 4.527 -0.000 0.000 0.342 1275 F C -0.708 174.903 175.800 -0.316 0.000 1.121 1275 F CA -1.142 56.698 58.000 -0.267 0.000 0.997 1275 F CB 0.831 39.466 39.000 -0.609 0.000 1.130 1275 F HN -0.296 nan 8.300 nan 0.000 0.454 1276 R N 5.985 125.986 120.500 -0.831 0.000 2.480 1276 R HA 0.601 4.941 4.340 -0.000 0.000 0.306 1276 R C -1.835 173.741 176.300 -1.207 0.000 0.958 1276 R CA -1.153 54.320 56.100 -1.044 0.000 0.861 1276 R CB 2.167 31.638 30.300 -1.383 0.000 1.171 1276 R HN 0.607 nan 8.270 nan 0.000 0.445 1277 L N 2.779 123.348 121.223 -1.090 0.000 2.333 1277 L HA 0.458 4.798 4.340 -0.000 0.000 0.280 1277 L C -1.270 175.153 176.870 -0.746 0.000 1.004 1277 L CA -0.093 54.153 54.840 -0.990 0.000 0.820 1277 L CB 1.674 43.134 42.059 -0.997 0.000 1.247 1277 L HN 0.525 nan 8.230 nan 0.000 0.416 1278 D N 5.154 125.149 120.400 -0.675 0.000 2.620 1278 D HA 0.318 4.958 4.640 -0.000 0.000 0.252 1278 D C -1.140 175.042 176.300 -0.197 0.000 1.207 1278 D CA -0.018 53.737 54.000 -0.409 0.000 0.884 1278 D CB 1.414 41.998 40.800 -0.361 0.000 1.262 1278 D HN 0.195 nan 8.370 nan 0.000 0.552 1279 F N 1.158 121.135 119.950 0.045 0.000 2.397 1279 F HA 0.600 5.127 4.527 -0.000 0.000 0.331 1279 F C 0.645 176.514 175.800 0.115 0.000 1.090 1279 F CA -1.230 56.824 58.000 0.089 0.000 1.065 1279 F CB 1.640 40.688 39.000 0.080 0.000 1.184 1279 F HN 0.242 nan 8.300 nan 0.000 0.499 1280 A N 2.288 125.310 122.820 0.336 0.000 2.457 1280 A HA 0.669 4.989 4.320 -0.000 0.000 0.283 1280 A C -1.614 176.046 177.584 0.127 0.000 1.166 1280 A CA -0.550 51.611 52.037 0.207 0.000 0.740 1280 A CB 0.566 19.694 19.000 0.214 0.000 1.181 1280 A HN 0.471 nan 8.150 nan 0.000 0.446 1281 V N 3.543 123.497 119.914 0.066 0.000 2.275 1281 V HA 0.162 4.282 4.120 -0.000 0.000 0.272 1281 V C 1.480 177.541 176.094 -0.054 0.000 1.028 1281 V CA 0.351 62.656 62.300 0.009 0.000 0.810 1281 V CB 0.379 32.201 31.823 -0.002 0.000 1.043 1281 V HN 1.085 nan 8.190 nan 0.000 0.453 1282 S N 4.009 119.641 115.700 -0.115 0.000 2.440 1282 S HA -0.158 4.312 4.470 -0.000 0.000 0.238 1282 S C 1.493 175.973 174.600 -0.199 0.000 1.010 1282 S CA 0.979 59.003 58.200 -0.293 0.000 0.972 1282 S CB -0.245 62.627 63.200 -0.547 0.000 0.774 1282 S HN 0.735 nan 8.310 nan 0.000 0.501 1283 R N 0.519 120.962 120.500 -0.094 0.000 2.393 1283 R HA 0.301 4.641 4.340 -0.000 0.000 0.244 1283 R C 0.678 176.952 176.300 -0.042 0.000 0.920 1283 R CA 0.331 56.397 56.100 -0.057 0.000 1.076 1283 R CB 0.179 30.466 30.300 -0.023 0.000 1.119 1283 R HN 0.574 nan 8.270 nan 0.000 0.524 1284 E N -0.231 119.942 120.200 -0.045 0.000 2.702 1284 E HA 0.104 4.454 4.350 -0.000 0.000 0.225 1284 E C -0.541 176.045 176.600 -0.024 0.000 0.942 1284 E CA 0.047 56.431 56.400 -0.027 0.000 1.210 1284 E CB 1.111 30.800 29.700 -0.018 0.000 1.143 1284 E HN 0.145 nan 8.360 nan 0.000 0.544 1285 Q N 0.458 120.233 119.800 -0.040 0.000 2.379 1285 Q HA 0.476 4.816 4.340 -0.000 0.000 0.278 1285 Q C -0.817 175.150 176.000 -0.055 0.000 1.068 1285 Q CA -0.729 55.056 55.803 -0.030 0.000 0.816 1285 Q CB 2.603 31.337 28.738 -0.006 0.000 1.387 1285 Q HN 0.065 nan 8.270 nan 0.000 0.413 1286 T N -2.095 112.437 114.554 -0.036 0.000 2.843 1286 T HA 0.488 4.838 4.350 -0.000 0.000 0.302 1286 T C -0.694 173.993 174.700 -0.022 0.000 1.232 1286 T CA -1.039 61.037 62.100 -0.040 0.000 1.009 1286 T CB 1.215 70.063 68.868 -0.034 0.000 1.254 1286 T HN 0.794 nan 8.240 nan 0.000 0.504 1287 N N 0.197 118.885 118.700 -0.019 0.000 2.448 1287 N HA 0.281 5.021 4.740 -0.000 0.000 0.274 1287 N C 1.237 176.738 175.510 -0.015 0.000 1.239 1287 N CA -0.780 52.261 53.050 -0.015 0.000 0.982 1287 N CB 1.010 39.488 38.487 -0.014 0.000 1.199 1287 N HN 0.766 nan 8.380 nan 0.000 0.576 1288 E N 1.239 121.430 120.200 -0.016 0.000 2.086 1288 E HA -0.295 4.055 4.350 -0.000 0.000 0.200 1288 E C 0.991 177.584 176.600 -0.012 0.000 1.012 1288 E CA 1.806 58.197 56.400 -0.014 0.000 0.812 1288 E CB -0.673 29.017 29.700 -0.017 0.000 0.743 1288 E HN 0.671 nan 8.360 nan 0.000 0.453 1289 K N 0.094 120.488 120.400 -0.011 0.000 2.515 1289 K HA 0.044 4.364 4.320 -0.000 0.000 0.196 1289 K C 1.087 177.683 176.600 -0.005 0.000 1.038 1289 K CA 0.647 56.929 56.287 -0.008 0.000 0.967 1289 K CB -0.193 32.302 32.500 -0.007 0.000 0.780 1289 K HN 0.468 nan 8.250 nan 0.000 0.483 1290 G N 1.819 110.615 108.800 -0.007 0.000 2.132 1290 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.234 1290 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.234 1290 G C -0.541 174.355 174.900 -0.007 0.000 0.989 1290 G CA -0.193 44.902 45.100 -0.008 0.000 0.676 1290 G HN 0.383 nan 8.290 nan 0.000 0.522 1291 E N 0.624 120.821 120.200 -0.005 0.000 2.301 1291 E HA 0.467 4.817 4.350 -0.000 0.000 0.275 1291 E C 0.574 177.154 176.600 -0.033 0.000 1.030 1291 E CA -0.588 55.813 56.400 0.003 0.000 0.852 1291 E CB 0.999 30.714 29.700 0.025 0.000 1.060 1291 E HN 0.294 nan 8.360 nan 0.000 0.401 1292 K N 1.508 121.866 120.400 -0.070 0.000 2.469 1292 K HA -0.017 4.303 4.320 -0.000 0.000 0.274 1292 K C 0.000 176.438 176.600 -0.271 0.000 0.983 1292 K CA 0.081 56.231 56.287 -0.228 0.000 0.974 1292 K CB 0.292 32.537 32.500 -0.426 0.000 0.913 1292 K HN 0.285 nan 8.250 nan 0.000 0.493 1293 M N 4.198 123.633 119.600 -0.275 0.000 2.725 1293 M HA 0.149 4.629 4.480 -0.000 0.000 0.322 1293 M C -1.557 174.632 176.300 -0.184 0.000 1.393 1293 M CA 0.072 55.283 55.300 -0.148 0.000 1.452 1293 M CB -0.420 32.149 32.600 -0.052 0.000 1.242 1293 M HN 0.302 nan 8.290 nan 0.000 0.487 1294 Y N 1.821 122.149 120.300 0.047 0.000 2.374 1294 Y HA 0.270 4.820 4.550 0.000 0.000 0.322 1294 Y C 1.467 177.402 175.900 0.059 0.000 1.275 1294 Y CA -0.421 57.708 58.100 0.048 0.000 1.307 1294 Y CB 0.501 38.978 38.460 0.029 0.000 1.282 1294 Y HN 0.605 nan 8.280 nan 0.000 0.509 1295 I N 1.025 121.744 120.570 0.248 0.000 2.145 1295 I HA -0.391 3.779 4.170 -0.000 0.000 0.244 1295 I C 2.377 178.538 176.117 0.073 0.000 1.075 1295 I CA 1.901 63.298 61.300 0.160 0.000 1.332 1295 I CB -0.192 37.884 38.000 0.126 0.000 1.033 1295 I HN 0.804 nan 8.210 nan 0.000 0.410 1296 Q N 0.266 120.100 119.800 0.057 0.000 2.170 1296 Q HA -0.219 4.121 4.340 -0.000 0.000 0.203 1296 Q C 1.961 177.966 176.000 0.009 0.000 0.976 1296 Q CA 2.319 58.116 55.803 -0.009 0.000 0.858 1296 Q CB -1.369 27.365 28.738 -0.006 0.000 0.907 1296 Q HN 0.674 nan 8.270 nan 0.000 0.433 1297 T N -1.597 113.002 114.554 0.074 0.000 2.951 1297 T HA -0.046 4.304 4.350 -0.000 0.000 0.268 1297 T C 1.885 176.616 174.700 0.052 0.000 1.073 1297 T CA 1.002 63.136 62.100 0.057 0.000 1.134 1297 T CB -0.034 68.885 68.868 0.084 0.000 0.884 1297 T HN 0.264 nan 8.240 nan 0.000 0.479 1298 R N 0.953 121.513 120.500 0.100 0.000 2.093 1298 R HA 0.313 4.653 4.340 -0.000 0.000 0.224 1298 R C 2.381 178.819 176.300 0.230 0.000 1.101 1298 R CA 1.238 57.448 56.100 0.183 0.000 0.979 1298 R CB -0.809 29.674 30.300 0.304 0.000 0.877 1298 R HN 0.462 nan 8.270 nan 0.000 0.441 1299 M N -0.113 119.516 119.600 0.048 0.000 2.117 1299 M HA -0.043 4.437 4.480 -0.000 0.000 0.262 1299 M C 2.226 178.530 176.300 0.007 0.000 1.065 1299 M CA 1.803 57.030 55.300 -0.122 0.000 1.114 1299 M CB -0.361 31.980 32.600 -0.431 0.000 1.361 1299 M HN 0.300 nan 8.290 nan 0.000 0.408 1300 A N 0.976 123.778 122.820 -0.030 0.000 1.997 1300 A HA -0.259 4.061 4.320 -0.000 0.000 0.221 1300 A C 1.998 179.548 177.584 -0.057 0.000 1.172 1300 A CA 2.058 54.068 52.037 -0.044 0.000 0.645 1300 A CB -1.037 17.937 19.000 -0.043 0.000 0.813 1300 A HN 0.753 nan 8.150 nan 0.000 0.454 1301 Q N -2.618 117.114 119.800 -0.113 0.000 2.482 1301 Q HA 0.005 4.345 4.340 -0.000 0.000 0.209 1301 Q C -0.082 175.662 176.000 -0.427 0.000 0.961 1301 Q CA 0.805 56.440 55.803 -0.281 0.000 0.945 1301 Q CB -0.222 28.291 28.738 -0.376 0.000 1.012 1301 Q HN 0.711 nan 8.270 nan 0.000 0.515 1302 Y N -1.255 119.117 120.300 0.120 0.000 2.738 1302 Y HA 0.497 5.047 4.550 -0.000 0.000 0.249 1302 Y C 1.601 177.560 175.900 0.098 0.000 1.153 1302 Y CA -0.336 57.870 58.100 0.177 0.000 1.165 1302 Y CB 0.331 38.977 38.460 0.311 0.000 1.235 1302 Y HN 0.213 nan 8.280 nan 0.000 0.559 1303 A N 0.248 123.150 122.820 0.136 0.000 1.917 1303 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 1303 A C 2.109 179.773 177.584 0.134 0.000 1.182 1303 A CA 2.172 54.256 52.037 0.078 0.000 0.633 1303 A CB -0.241 18.751 19.000 -0.014 0.000 0.819 1303 A HN 0.515 nan 8.150 nan 0.000 0.448 1304 E N -0.519 119.764 120.200 0.138 0.000 2.023 1304 E HA -0.242 4.108 4.350 -0.000 0.000 0.196 1304 E C 2.084 178.817 176.600 0.222 0.000 1.003 1304 E CA 1.688 58.182 56.400 0.158 0.000 0.809 1304 E CB -0.217 29.562 29.700 0.130 0.000 0.755 1304 E HN 0.731 nan 8.360 nan 0.000 0.449 1305 E N 0.908 121.264 120.200 0.260 0.000 2.058 1305 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 1305 E C 2.194 178.954 176.600 0.267 0.000 0.997 1305 E CA 0.958 57.535 56.400 0.294 0.000 0.801 1305 E CB -0.235 29.721 29.700 0.426 0.000 0.746 1305 E HN 0.193 nan 8.360 nan 0.000 0.450 1306 L N -0.209 121.149 121.223 0.225 0.000 2.042 1306 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 1306 L C 2.425 179.407 176.870 0.187 0.000 1.076 1306 L CA 1.141 56.059 54.840 0.130 0.000 0.749 1306 L CB -0.467 41.600 42.059 0.014 0.000 0.893 1306 L HN 0.418 nan 8.230 nan 0.000 0.432 1307 W N 0.855 122.178 121.300 0.037 0.000 2.388 1307 W HA -0.176 4.484 4.660 -0.000 0.000 0.294 1307 W C 2.229 178.789 176.519 0.068 0.000 1.212 1307 W CA 1.777 59.142 57.345 0.034 0.000 1.271 1307 W CB -0.070 29.380 29.460 -0.017 0.000 1.126 1307 W HN 0.152 nan 8.180 nan 0.000 0.535 1308 T N 1.919 116.560 114.554 0.145 0.000 2.701 1308 T HA -0.188 4.162 4.350 -0.000 0.000 0.263 1308 T C 1.987 176.695 174.700 0.013 0.000 1.040 1308 T CA 1.744 63.883 62.100 0.065 0.000 1.147 1308 T CB -0.736 68.207 68.868 0.125 0.000 0.865 1308 T HN 0.079 nan 8.240 nan 0.000 0.426 1309 L N 0.582 121.849 121.223 0.073 0.000 2.079 1309 L HA -0.071 4.269 4.340 -0.000 0.000 0.210 1309 L C 2.417 179.296 176.870 0.015 0.000 1.081 1309 L CA 0.653 55.539 54.840 0.078 0.000 0.752 1309 L CB -0.556 41.599 42.059 0.160 0.000 0.896 1309 L HN 0.209 nan 8.230 nan 0.000 0.433 1310 L N 0.042 121.248 121.223 -0.029 0.000 2.265 1310 L HA -0.181 4.159 4.340 -0.000 0.000 0.215 1310 L C 2.229 179.017 176.870 -0.136 0.000 1.117 1310 L CA 1.703 56.503 54.840 -0.066 0.000 0.782 1310 L CB -0.623 41.387 42.059 -0.081 0.000 0.914 1310 L HN 0.132 nan 8.230 nan 0.000 0.441 1311 K N -0.542 119.746 120.400 -0.187 0.000 2.366 1311 K HA -0.015 4.305 4.320 -0.000 0.000 0.198 1311 K C 0.279 176.834 176.600 -0.076 0.000 1.044 1311 K CA 0.279 56.479 56.287 -0.144 0.000 0.973 1311 K CB 0.120 32.523 32.500 -0.163 0.000 0.767 1311 K HN 0.289 nan 8.250 nan 0.000 0.475 1312 K N 2.028 122.392 120.400 -0.060 0.000 2.276 1312 K HA -0.009 4.311 4.320 -0.000 0.000 0.283 1312 K C 0.510 177.059 176.600 -0.084 0.000 1.044 1312 K CA -0.135 56.126 56.287 -0.044 0.000 0.944 1312 K CB 0.879 33.373 32.500 -0.009 0.000 1.012 1312 K HN 0.175 nan 8.250 nan 0.000 0.472 1313 D N 1.958 122.312 120.400 -0.077 0.000 2.309 1313 D HA -0.182 4.458 4.640 -0.000 0.000 0.212 1313 D C 0.365 176.562 176.300 -0.172 0.000 0.968 1313 D CA 0.934 54.864 54.000 -0.116 0.000 0.882 1313 D CB -0.004 40.761 40.800 -0.058 0.000 0.918 1313 D HN 0.516 nan 8.370 nan 0.000 0.503 1314 N N 0.438 119.080 118.700 -0.096 0.000 2.380 1314 N HA 0.003 4.743 4.740 -0.000 0.000 0.255 1314 N C -0.865 174.626 175.510 -0.031 0.000 1.158 1314 N CA -0.355 52.685 53.050 -0.016 0.000 0.878 1314 N CB 0.280 38.848 38.487 0.134 0.000 1.138 1314 N HN -0.182 nan 8.380 nan 0.000 0.509 1315 T N 1.251 115.655 114.554 -0.250 0.000 2.758 1315 T HA 0.461 4.811 4.350 -0.000 0.000 0.285 1315 T C -1.003 173.483 174.700 -0.356 0.000 0.981 1315 T CA -0.251 61.787 62.100 -0.102 0.000 0.965 1315 T CB 0.326 69.178 68.868 -0.027 0.000 0.927 1315 T HN 0.068 nan 8.240 nan 0.000 0.448 1316 F N 1.969 122.001 119.950 0.137 0.000 2.507 1316 F HA 0.628 5.155 4.527 -0.000 0.000 0.325 1316 F C -0.071 175.759 175.800 0.050 0.000 1.116 1316 F CA -1.078 56.965 58.000 0.070 0.000 0.930 1316 F CB 1.624 40.713 39.000 0.147 0.000 1.146 1316 F HN 0.165 nan 8.300 nan 0.000 0.447 1317 V N 3.401 123.313 119.914 -0.002 0.000 2.555 1317 V HA 0.428 4.548 4.120 -0.000 0.000 0.302 1317 V C -1.143 174.717 176.094 -0.390 0.000 1.038 1317 V CA -1.044 61.168 62.300 -0.147 0.000 0.887 1317 V CB 1.645 33.267 31.823 -0.336 0.000 0.991 1317 V HN 0.555 nan 8.190 nan 0.000 0.434 1318 Y N 3.896 124.104 120.300 -0.154 0.000 2.409 1318 Y HA 0.694 5.244 4.550 -0.000 0.000 0.343 1318 Y C 0.047 175.910 175.900 -0.062 0.000 0.973 1318 Y CA -0.627 57.446 58.100 -0.045 0.000 1.064 1318 Y CB 2.115 40.682 38.460 0.178 0.000 1.207 1318 Y HN 0.518 nan 8.280 nan 0.000 0.452 1319 M N 4.438 124.121 119.600 0.138 0.000 2.259 1319 M HA 0.666 5.146 4.480 -0.000 0.000 0.304 1319 M C -1.976 174.454 176.300 0.217 0.000 1.019 1319 M CA -0.361 55.025 55.300 0.144 0.000 0.922 1319 M CB 1.385 33.939 32.600 -0.077 0.000 1.600 1319 M HN 0.877 nan 8.290 nan 0.000 0.433 1320 C N 4.118 123.565 119.300 0.246 0.000 2.782 1320 C HA 0.994 5.454 4.460 -0.000 0.000 0.328 1320 C C 0.036 175.008 174.990 -0.030 0.000 1.145 1320 C CA 0.971 60.011 59.018 0.036 0.000 1.358 1320 C CB 1.083 28.698 27.740 -0.209 0.000 1.841 1320 C HN 1.172 nan 8.230 nan 0.000 0.477 1321 G N 4.036 112.696 108.800 -0.234 0.000 2.366 1321 G HA2 0.203 4.163 3.960 -0.000 0.000 0.190 1321 G HA3 0.203 4.163 3.960 -0.000 0.000 0.190 1321 G C -1.877 172.556 174.900 -0.777 0.000 1.299 1321 G CA -0.640 44.208 45.100 -0.420 0.000 1.056 1321 G HN 0.762 nan 8.290 nan 0.000 0.468 1322 L N 1.787 122.758 121.223 -0.419 0.000 2.367 1322 L HA 0.325 4.665 4.340 -0.000 0.000 0.275 1322 L C 2.040 178.790 176.870 -0.201 0.000 1.129 1322 L CA -0.075 54.571 54.840 -0.324 0.000 0.839 1322 L CB 1.084 43.056 42.059 -0.144 0.000 1.133 1322 L HN 0.730 nan 8.230 nan 0.000 0.453 1323 K N 3.294 123.596 120.400 -0.164 0.000 2.097 1323 K HA -0.242 4.078 4.320 -0.000 0.000 0.214 1323 K C 1.681 178.253 176.600 -0.046 0.000 1.052 1323 K CA 2.055 58.297 56.287 -0.076 0.000 0.932 1323 K CB -0.231 32.246 32.500 -0.038 0.000 0.716 1323 K HN 0.928 nan 8.250 nan 0.000 0.455 1324 G N 1.896 110.665 108.800 -0.052 0.000 2.462 1324 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.220 1324 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.220 1324 G C 1.546 176.422 174.900 -0.040 0.000 1.121 1324 G CA 1.241 46.313 45.100 -0.046 0.000 0.758 1324 G HN 0.576 nan 8.290 nan 0.000 0.559 1325 M N -0.251 119.326 119.600 -0.038 0.000 2.267 1325 M HA 0.068 4.548 4.480 -0.000 0.000 0.263 1325 M C 2.091 178.403 176.300 0.020 0.000 1.063 1325 M CA 2.221 57.512 55.300 -0.015 0.000 1.090 1325 M CB -0.376 32.220 32.600 -0.007 0.000 1.392 1325 M HN 0.251 nan 8.290 nan 0.000 0.422 1326 E N 0.570 120.793 120.200 0.038 0.000 2.077 1326 E HA -0.273 4.077 4.350 -0.000 0.000 0.193 1326 E C 2.181 178.848 176.600 0.111 0.000 0.989 1326 E CA 1.726 58.185 56.400 0.099 0.000 0.800 1326 E CB -0.008 29.755 29.700 0.106 0.000 0.746 1326 E HN 0.632 nan 8.360 nan 0.000 0.452 1327 Q N -0.185 119.653 119.800 0.062 0.000 2.083 1327 Q HA -0.044 4.296 4.340 -0.000 0.000 0.198 1327 Q C 1.972 177.992 176.000 0.034 0.000 0.969 1327 Q CA 1.856 57.693 55.803 0.056 0.000 0.838 1327 Q CB -0.732 28.021 28.738 0.024 0.000 0.900 1327 Q HN 0.329 nan 8.270 nan 0.000 0.436 1328 G N 0.283 109.083 108.800 0.001 0.000 2.440 1328 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 1328 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 1328 G C 1.207 176.106 174.900 -0.002 0.000 1.154 1328 G CA 1.127 46.215 45.100 -0.019 0.000 0.767 1328 G HN 0.383 nan 8.290 nan 0.000 0.552 1329 I N 1.244 121.834 120.570 0.033 0.000 2.315 1329 I HA -0.028 4.142 4.170 -0.000 0.000 0.248 1329 I C 2.220 178.367 176.117 0.050 0.000 1.117 1329 I CA 0.730 62.059 61.300 0.047 0.000 1.404 1329 I CB -0.335 37.736 38.000 0.120 0.000 1.071 1329 I HN 0.008 nan 8.210 nan 0.000 0.419 1330 D N 0.818 121.294 120.400 0.127 0.000 2.104 1330 D HA -0.207 4.433 4.640 -0.000 0.000 0.194 1330 D C 1.776 178.062 176.300 -0.023 0.000 0.994 1330 D CA 1.791 55.889 54.000 0.164 0.000 0.830 1330 D CB -0.375 40.572 40.800 0.246 0.000 0.959 1330 D HN 0.524 nan 8.370 nan 0.000 0.452 1331 D N 0.218 120.606 120.400 -0.020 0.000 2.144 1331 D HA -0.141 4.499 4.640 -0.000 0.000 0.200 1331 D C 1.970 178.185 176.300 -0.142 0.000 0.978 1331 D CA 0.499 54.461 54.000 -0.064 0.000 0.833 1331 D CB -0.325 40.453 40.800 -0.036 0.000 0.961 1331 D HN 0.157 nan 8.370 nan 0.000 0.470 1332 I N 0.316 120.799 120.570 -0.146 0.000 2.315 1332 I HA -0.142 4.028 4.170 -0.000 0.000 0.248 1332 I C 2.067 178.000 176.117 -0.307 0.000 1.117 1332 I CA 0.983 62.175 61.300 -0.180 0.000 1.404 1332 I CB -0.692 37.228 38.000 -0.134 0.000 1.071 1332 I HN 0.144 nan 8.210 nan 0.000 0.419 1333 M N -0.075 119.248 119.600 -0.462 0.000 2.200 1333 M HA -0.078 4.402 4.480 -0.000 0.000 0.265 1333 M C 2.461 178.229 176.300 -0.886 0.000 1.066 1333 M CA 1.148 55.929 55.300 -0.865 0.000 1.127 1333 M CB -1.346 30.277 32.600 -1.629 0.000 1.379 1333 M HN 0.091 nan 8.290 nan 0.000 0.420 1334 S N 1.126 116.452 115.700 -0.623 0.000 2.382 1334 S HA -0.106 4.364 4.470 -0.000 0.000 0.228 1334 S C 2.078 176.516 174.600 -0.270 0.000 1.027 1334 S CA 1.679 59.708 58.200 -0.285 0.000 0.991 1334 S CB -0.288 62.864 63.200 -0.079 0.000 0.823 1334 S HN 0.665 nan 8.310 nan 0.000 0.469 1335 S N 1.491 117.024 115.700 -0.279 0.000 2.383 1335 S HA 0.006 4.476 4.470 -0.000 0.000 0.227 1335 S C 1.695 176.081 174.600 -0.356 0.000 1.026 1335 S CA 0.713 58.763 58.200 -0.250 0.000 0.981 1335 S CB -0.488 62.596 63.200 -0.193 0.000 0.818 1335 S HN 0.249 nan 8.310 nan 0.000 0.472 1336 L N 1.964 122.893 121.223 -0.490 0.000 2.093 1336 L HA 0.214 4.554 4.340 -0.000 0.000 0.208 1336 L C 2.937 179.113 176.870 -1.157 0.000 1.085 1336 L CA 1.464 55.862 54.840 -0.735 0.000 0.755 1336 L CB -1.263 40.371 42.059 -0.708 0.000 0.904 1336 L HN 0.443 nan 8.230 nan 0.000 0.435 1337 A N -0.694 121.509 122.820 -1.030 0.000 1.872 1337 A HA -0.042 4.278 4.320 -0.000 0.000 0.214 1337 A C 2.516 179.853 177.584 -0.411 0.000 1.187 1337 A CA 1.420 52.961 52.037 -0.827 0.000 0.614 1337 A CB -0.957 17.915 19.000 -0.213 0.000 0.826 1337 A HN 0.339 nan 8.150 nan 0.000 0.442 1338 A N 1.337 123.984 122.820 -0.288 0.000 1.927 1338 A HA -0.259 4.061 4.320 -0.000 0.000 0.220 1338 A C 2.061 179.538 177.584 -0.179 0.000 1.185 1338 A CA 2.243 54.174 52.037 -0.177 0.000 0.639 1338 A CB -0.656 18.258 19.000 -0.144 0.000 0.820 1338 A HN 0.688 nan 8.150 nan 0.000 0.451 1339 K N -0.354 119.902 120.400 -0.240 0.000 2.515 1339 K HA -0.062 4.258 4.320 -0.000 0.000 0.196 1339 K C 0.582 177.085 176.600 -0.161 0.000 1.038 1339 K CA 1.509 57.682 56.287 -0.190 0.000 0.967 1339 K CB -0.098 32.279 32.500 -0.205 0.000 0.780 1339 K HN 0.611 nan 8.250 nan 0.000 0.483 1340 E N 0.204 120.295 120.200 -0.181 0.000 2.538 1340 E HA 0.093 4.443 4.350 -0.000 0.000 0.207 1340 E C 0.185 176.756 176.600 -0.048 0.000 1.002 1340 E CA 0.117 56.464 56.400 -0.089 0.000 0.952 1340 E CB 0.757 30.433 29.700 -0.039 0.000 1.031 1340 E HN 0.563 nan 8.360 nan 0.000 0.476 1341 G N 2.544 111.305 108.800 -0.066 0.000 2.153 1341 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.252 1341 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.252 1341 G C 0.274 175.164 174.900 -0.016 0.000 0.994 1341 G CA 0.774 45.852 45.100 -0.036 0.000 0.698 1341 G HN 0.398 nan 8.290 nan 0.000 0.521 1342 I N -2.365 118.195 120.570 -0.018 0.000 2.530 1342 I HA 0.702 4.872 4.170 -0.000 0.000 0.297 1342 I C -0.288 175.856 176.117 0.045 0.000 1.011 1342 I CA -1.408 59.902 61.300 0.016 0.000 1.107 1342 I CB 1.912 39.917 38.000 0.008 0.000 1.285 1342 I HN -0.020 nan 8.210 nan 0.000 0.436 1343 D N 5.864 126.305 120.400 0.068 0.000 2.339 1343 D HA -0.013 4.627 4.640 -0.000 0.000 0.256 1343 D C 0.843 177.248 176.300 0.176 0.000 1.214 1343 D CA -0.245 53.811 54.000 0.094 0.000 0.877 1343 D CB 0.718 41.549 40.800 0.051 0.000 1.111 1343 D HN 0.772 nan 8.370 nan 0.000 0.478 1344 W N 4.820 126.127 121.300 0.011 0.000 2.342 1344 W HA -0.312 4.348 4.660 -0.000 0.000 0.297 1344 W C 1.438 177.973 176.519 0.026 0.000 1.213 1344 W CA 1.054 58.430 57.345 0.051 0.000 1.251 1344 W CB -0.039 29.418 29.460 -0.005 0.000 1.136 1344 W HN 0.601 nan 8.180 nan 0.000 0.526 1345 A N 1.657 124.408 122.820 -0.115 0.000 1.883 1345 A HA -0.332 3.988 4.320 -0.000 0.000 0.217 1345 A C 1.474 178.892 177.584 -0.277 0.000 1.186 1345 A CA 2.562 54.446 52.037 -0.255 0.000 0.624 1345 A CB -1.289 17.655 19.000 -0.093 0.000 0.822 1345 A HN 0.512 nan 8.150 nan 0.000 0.444 1346 D N -2.738 117.578 120.400 -0.140 0.000 2.289 1346 D HA -0.126 4.514 4.640 -0.000 0.000 0.207 1346 D C 1.625 177.845 176.300 -0.133 0.000 0.966 1346 D CA 0.975 54.904 54.000 -0.120 0.000 0.868 1346 D CB -0.543 40.230 40.800 -0.045 0.000 0.943 1346 D HN 0.518 nan 8.370 nan 0.000 0.514 1347 Y N 1.375 121.520 120.300 -0.259 0.000 2.220 1347 Y HA -0.015 4.535 4.550 -0.000 0.000 0.291 1347 Y C 2.147 177.743 175.900 -0.508 0.000 1.129 1347 Y CA 1.571 59.519 58.100 -0.254 0.000 1.161 1347 Y CB -0.091 38.335 38.460 -0.057 0.000 0.997 1347 Y HN -0.082 nan 8.280 nan 0.000 0.522 1348 K N 0.579 120.425 120.400 -0.924 0.000 2.147 1348 K HA -0.236 4.084 4.320 -0.000 0.000 0.205 1348 K C 2.258 178.420 176.600 -0.731 0.000 1.049 1348 K CA 1.648 57.160 56.287 -1.291 0.000 0.936 1348 K CB -0.176 31.270 32.500 -1.757 0.000 0.722 1348 K HN 0.259 nan 8.250 nan 0.000 0.446 1349 K N 0.759 120.857 120.400 -0.503 0.000 2.026 1349 K HA -0.227 4.093 4.320 -0.000 0.000 0.208 1349 K C 2.387 178.825 176.600 -0.269 0.000 1.048 1349 K CA 1.727 57.833 56.287 -0.302 0.000 0.929 1349 K CB -0.112 32.260 32.500 -0.215 0.000 0.713 1349 K HN 0.233 nan 8.250 nan 0.000 0.439 1350 Q N 1.002 120.614 119.800 -0.313 0.000 2.030 1350 Q HA -0.225 4.115 4.340 -0.000 0.000 0.204 1350 Q C 2.121 177.938 176.000 -0.304 0.000 0.986 1350 Q CA 1.852 57.486 55.803 -0.283 0.000 0.843 1350 Q CB -0.335 28.213 28.738 -0.316 0.000 0.904 1350 Q HN 0.428 nan 8.270 nan 0.000 0.420 1351 L N 0.615 121.569 121.223 -0.449 0.000 2.042 1351 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 1351 L C 2.805 179.602 176.870 -0.122 0.000 1.076 1351 L CA 1.644 56.295 54.840 -0.314 0.000 0.749 1351 L CB -0.385 41.465 42.059 -0.347 0.000 0.893 1351 L HN 0.213 nan 8.230 nan 0.000 0.432 1352 K N 0.080 120.410 120.400 -0.116 0.000 2.026 1352 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 1352 K C 2.098 178.686 176.600 -0.019 0.000 1.048 1352 K CA 1.355 57.639 56.287 -0.005 0.000 0.929 1352 K CB -0.091 32.395 32.500 -0.023 0.000 0.713 1352 K HN 0.284 nan 8.250 nan 0.000 0.439 1353 K N 0.121 120.483 120.400 -0.063 0.000 2.209 1353 K HA -0.073 4.247 4.320 -0.000 0.000 0.204 1353 K C 1.646 178.230 176.600 -0.026 0.000 1.048 1353 K CA 1.034 57.296 56.287 -0.042 0.000 0.940 1353 K CB 0.047 32.511 32.500 -0.059 0.000 0.729 1353 K HN 0.096 nan 8.250 nan 0.000 0.451 1354 A N 1.105 123.898 122.820 -0.045 0.000 2.337 1354 A HA 0.019 4.339 4.320 -0.000 0.000 0.227 1354 A C -0.114 177.491 177.584 0.036 0.000 1.259 1354 A CA 0.058 52.079 52.037 -0.026 0.000 0.870 1354 A CB -0.276 18.674 19.000 -0.084 0.000 0.927 1354 A HN 0.368 nan 8.150 nan 0.000 0.497 1355 E N -1.446 118.792 120.200 0.063 0.000 2.971 1355 E HA -0.286 4.064 4.350 -0.000 0.000 0.278 1355 E C 0.564 177.290 176.600 0.209 0.000 1.009 1355 E CA 1.089 57.573 56.400 0.140 0.000 0.862 1355 E CB -1.570 28.249 29.700 0.198 0.000 1.436 1355 E HN 0.882 nan 8.360 nan 0.000 0.434 1356 Q N -0.789 119.052 119.800 0.067 0.000 2.319 1356 Q HA 0.070 4.410 4.340 -0.000 0.000 0.209 1356 Q C 0.347 176.393 176.000 0.076 0.000 0.884 1356 Q CA 0.146 55.938 55.803 -0.018 0.000 0.938 1356 Q CB 0.693 29.288 28.738 -0.239 0.000 1.098 1356 Q HN 0.348 nan 8.270 nan 0.000 0.517 1357 W N 2.357 123.587 121.300 -0.117 0.000 2.453 1357 W HA 0.362 5.022 4.660 -0.000 0.000 0.310 1357 W C -1.662 174.804 176.519 -0.089 0.000 1.000 1357 W CA -0.494 56.793 57.345 -0.097 0.000 1.367 1357 W CB 0.795 30.198 29.460 -0.095 0.000 1.269 1357 W HN -0.045 nan 8.180 nan 0.000 0.418 1358 N N 4.984 123.506 118.700 -0.298 0.000 2.443 1358 N HA 0.373 5.113 4.740 -0.000 0.000 0.269 1358 N C -1.131 174.297 175.510 -0.136 0.000 0.985 1358 N CA -0.391 52.557 53.050 -0.171 0.000 0.921 1358 N CB 2.806 41.143 38.487 -0.250 0.000 1.195 1358 N HN -0.011 nan 8.380 nan 0.000 0.492 1359 V N 1.442 121.350 119.914 -0.009 0.000 2.604 1359 V HA 0.371 4.491 4.120 -0.000 0.000 0.305 1359 V C -0.019 176.122 176.094 0.080 0.000 1.043 1359 V CA -0.653 61.664 62.300 0.029 0.000 0.888 1359 V CB 2.040 33.912 31.823 0.081 0.000 0.995 1359 V HN 0.695 nan 8.190 nan 0.000 0.429 1360 E N 3.352 123.606 120.200 0.089 0.000 2.923 1360 E HA 0.489 4.839 4.350 -0.000 0.000 0.266 1360 E C -1.084 175.586 176.600 0.117 0.000 1.157 1360 E CA -0.358 56.108 56.400 0.110 0.000 0.795 1360 E CB 1.470 31.240 29.700 0.116 0.000 1.454 1360 E HN 0.667 nan 8.360 nan 0.000 0.386 1361 V N 1.142 121.100 119.914 0.074 0.000 2.630 1361 V HA 0.796 4.916 4.120 -0.000 0.000 0.305 1361 V C -0.621 175.500 176.094 0.045 0.000 1.046 1361 V CA -0.486 61.786 62.300 -0.047 0.000 0.934 1361 V CB 0.457 32.243 31.823 -0.062 0.000 1.003 1361 V HN 0.479 nan 8.190 nan 0.000 0.451 1362 Y N 0.000 120.299 120.300 -0.001 0.000 2.660 1362 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 1362 Y CA 0.000 58.091 58.100 -0.015 0.000 1.940 1362 Y CB 0.000 38.438 38.460 -0.036 0.000 1.050 1362 Y HN 0.000 nan 8.280 nan 0.000 0.758