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 3l9p_1_A DATA FIRST_RESID 1093 DATA SEQUENCE NPNYCFAGKT SSISDLKEVP RKNITLIRGL GHGAFGEVYE GQVSGXXXXX DATA SEQUENCE SPLQVAVKTL PEVCSEQDEL DFLMEALIIS KFNHQNIVRC IGVSLQSLPR DATA SEQUENCE FILLELMAGG DLKSFLRETR PRPSQPSSLA MLDLLHVARD IACGCQYLEE DATA SEQUENCE NHFIHRDIAA RNCLLTCPGP GRVAKIGDFG MARDIYRAGY YRKGGCAMLP DATA SEQUENCE VKWMPPEAFM EGIFTSKTDT WSFGVLLWEI FSLGYMPYPS KSNQEVLEFV DATA SEQUENCE TSGGRMDPPK NCPGPVYRIM TQCWQHQPED RPNFAIILER IEYCTQDPDV DATA SEQUENCE INTALPIE 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 1093 N HA 0.000 nan 4.740 nan 0.000 0.220 1093 N C 0.000 175.545 175.510 0.059 0.000 1.280 1093 N CA 0.000 53.078 53.050 0.046 0.000 0.885 1093 N CB 0.000 38.513 38.487 0.043 0.000 1.341 1094 P HA 0.319 nan 4.420 nan 0.000 0.271 1094 P C -0.900 176.472 177.300 0.121 0.000 1.216 1094 P CA -0.203 62.955 63.100 0.096 0.000 0.776 1094 P CB 0.462 32.226 31.700 0.106 0.000 0.881 1095 N N 1.171 119.960 118.700 0.147 0.000 2.434 1095 N HA 0.285 5.037 4.740 0.020 0.000 0.266 1095 N C -0.828 174.855 175.510 0.288 0.000 1.223 1095 N CA 0.041 53.191 53.050 0.167 0.000 0.972 1095 N CB 0.523 39.085 38.487 0.124 0.000 1.207 1095 N HN 0.508 nan 8.380 nan 0.000 0.525 1096 Y N -0.313 120.034 120.300 0.079 0.000 2.441 1096 Y HA 0.354 4.916 4.550 0.020 0.000 0.334 1096 Y C -1.268 174.665 175.900 0.055 0.000 1.061 1096 Y CA -1.082 57.032 58.100 0.024 0.000 1.032 1096 Y CB 0.973 39.329 38.460 -0.173 0.000 1.266 1096 Y HN 0.532 nan 8.280 nan 0.000 0.441 1097 C N 8.083 127.021 119.300 -0.602 0.000 2.351 1097 C HA 0.813 5.285 4.460 0.020 0.000 0.326 1097 C C -1.340 173.264 174.990 -0.643 0.000 1.272 1097 C CA -0.635 58.108 59.018 -0.457 0.000 1.650 1097 C CB -0.754 26.916 27.740 -0.116 0.000 2.257 1097 C HN 0.791 nan 8.230 nan 0.000 0.505 1098 F N 4.388 124.020 119.950 -0.529 0.000 2.596 1098 F HA 0.586 5.126 4.527 0.021 0.000 0.311 1098 F C 0.489 176.232 175.800 -0.095 0.000 1.116 1098 F CA 0.384 58.218 58.000 -0.276 0.000 0.957 1098 F CB 1.575 40.424 39.000 -0.253 0.000 1.250 1098 F HN 1.065 nan 8.300 nan 0.000 0.444 1099 A N 3.513 125.808 122.820 -0.876 0.000 2.748 1099 A HA 0.113 4.445 4.320 0.020 0.000 0.297 1099 A C 1.350 178.774 177.584 -0.268 0.000 1.508 1099 A CA 1.594 53.234 52.037 -0.662 0.000 0.799 1099 A CB -2.322 16.177 19.000 -0.836 0.000 1.011 1099 A HN 2.744 nan 8.150 nan 0.000 0.500 1100 G N -2.109 106.583 108.800 -0.181 0.000 2.198 1100 G HA2 -0.144 3.828 3.960 0.020 0.000 0.257 1100 G HA3 -0.144 3.828 3.960 0.020 0.000 0.257 1100 G C -0.220 174.636 174.900 -0.073 0.000 1.042 1100 G CA 0.810 45.850 45.100 -0.100 0.000 0.791 1100 G HN 1.187 nan 8.290 nan 0.000 0.502 1101 K N 0.157 120.512 120.400 -0.075 0.000 2.513 1101 K HA 0.519 4.851 4.320 0.020 0.000 0.251 1101 K C -0.446 176.124 176.600 -0.050 0.000 0.939 1101 K CA -0.544 55.719 56.287 -0.040 0.000 0.793 1101 K CB 1.815 34.308 32.500 -0.011 0.000 1.241 1101 K HN 0.096 nan 8.250 nan 0.000 0.431 1102 T N 1.333 115.870 114.554 -0.029 0.000 2.799 1102 T HA 0.448 4.810 4.350 0.020 0.000 0.286 1102 T C -0.074 174.633 174.700 0.012 0.000 0.973 1102 T CA -0.208 61.880 62.100 -0.020 0.000 1.035 1102 T CB 0.990 69.858 68.868 -0.000 0.000 0.932 1102 T HN 0.357 nan 8.240 nan 0.000 0.469 1103 S N 1.334 117.056 115.700 0.037 0.000 2.634 1103 S HA 0.869 5.351 4.470 0.020 0.000 0.296 1103 S C -0.358 174.290 174.600 0.080 0.000 1.104 1103 S CA -0.861 57.376 58.200 0.062 0.000 0.920 1103 S CB 1.825 65.074 63.200 0.083 0.000 1.111 1103 S HN 0.898 nan 8.310 nan 0.000 0.493 1104 S N 0.083 115.818 115.700 0.058 0.000 2.794 1104 S HA 0.532 5.014 4.470 0.020 0.000 0.299 1104 S C 0.928 175.547 174.600 0.033 0.000 1.179 1104 S CA -0.832 57.401 58.200 0.054 0.000 0.838 1104 S CB 0.188 63.417 63.200 0.049 0.000 1.206 1104 S HN 0.662 nan 8.310 nan 0.000 0.523 1105 I N 1.763 122.350 120.570 0.029 0.000 2.185 1105 I HA -0.269 3.913 4.170 0.020 0.000 0.246 1105 I C 2.332 178.458 176.117 0.014 0.000 1.088 1105 I CA 2.447 63.758 61.300 0.018 0.000 1.347 1105 I CB -0.384 37.632 38.000 0.026 0.000 1.041 1105 I HN 0.875 nan 8.210 nan 0.000 0.415 1106 S N -0.343 115.368 115.700 0.018 0.000 2.500 1106 S HA -0.157 4.325 4.470 0.020 0.000 0.239 1106 S C 1.340 175.947 174.600 0.012 0.000 0.989 1106 S CA 1.203 59.412 58.200 0.015 0.000 0.951 1106 S CB -0.443 62.766 63.200 0.016 0.000 0.759 1106 S HN 0.543 nan 8.310 nan 0.000 0.523 1107 D N 1.027 121.434 120.400 0.012 0.000 2.350 1107 D HA 0.238 4.889 4.640 0.020 0.000 0.213 1107 D C 0.308 176.608 176.300 -0.000 0.000 1.031 1107 D CA 0.081 54.086 54.000 0.009 0.000 0.861 1107 D CB 0.048 40.857 40.800 0.015 0.000 0.926 1107 D HN 0.424 nan 8.370 nan 0.000 0.520 1108 L N 1.121 122.341 121.223 -0.005 0.000 2.397 1108 L HA 0.134 4.486 4.340 0.020 0.000 0.271 1108 L C 0.708 177.576 176.870 -0.004 0.000 1.148 1108 L CA -0.560 54.271 54.840 -0.014 0.000 0.825 1108 L CB 0.547 42.593 42.059 -0.022 0.000 1.117 1108 L HN -0.373 nan 8.230 nan 0.000 0.456 1109 K N 2.703 123.100 120.400 -0.004 0.000 2.315 1109 K HA 0.054 4.386 4.320 0.020 0.000 0.291 1109 K C -0.335 176.272 176.600 0.012 0.000 1.074 1109 K CA -0.119 56.170 56.287 0.004 0.000 0.936 1109 K CB 0.243 32.745 32.500 0.002 0.000 1.049 1109 K HN 0.337 nan 8.250 nan 0.000 0.471 1110 E N 3.364 123.573 120.200 0.014 0.000 2.217 1110 E HA 0.108 4.470 4.350 0.020 0.000 0.279 1110 E C -1.018 175.596 176.600 0.023 0.000 1.068 1110 E CA -0.432 55.980 56.400 0.021 0.000 0.882 1110 E CB 0.581 30.290 29.700 0.015 0.000 1.039 1110 E HN 0.337 nan 8.360 nan 0.000 0.418 1111 V N 4.703 124.639 119.914 0.036 0.000 2.394 1111 V HA 0.594 4.726 4.120 0.020 0.000 0.282 1111 V C -2.460 173.656 176.094 0.037 0.000 1.031 1111 V CA -2.522 59.800 62.300 0.037 0.000 0.881 1111 V CB 1.303 33.152 31.823 0.043 0.000 0.982 1111 V HN 0.675 nan 8.190 nan 0.000 0.451 1112 P HA 0.131 nan 4.420 nan 0.000 0.261 1112 P C 0.395 177.709 177.300 0.024 0.000 1.183 1112 P CA 0.170 63.279 63.100 0.015 0.000 0.761 1112 P CB 0.503 32.209 31.700 0.011 0.000 0.785 1113 R N 5.938 126.442 120.500 0.007 0.000 2.117 1113 R HA -0.207 4.145 4.340 0.020 0.000 0.243 1113 R C 1.826 178.141 176.300 0.025 0.000 1.143 1113 R CA 2.080 58.185 56.100 0.009 0.000 0.968 1113 R CB -0.712 29.555 30.300 -0.056 0.000 0.863 1113 R HN 0.481 nan 8.270 nan 0.000 0.444 1114 K N -0.917 119.489 120.400 0.010 0.000 2.281 1114 K HA -0.116 4.216 4.320 0.020 0.000 0.203 1114 K C 1.012 177.624 176.600 0.020 0.000 1.046 1114 K CA 1.955 58.249 56.287 0.011 0.000 0.938 1114 K CB -0.302 32.200 32.500 0.003 0.000 0.737 1114 K HN 0.330 nan 8.250 nan 0.000 0.458 1115 N N 0.322 119.039 118.700 0.028 0.000 2.336 1115 N HA 0.158 4.910 4.740 0.020 0.000 0.189 1115 N C -0.422 175.110 175.510 0.038 0.000 1.113 1115 N CA -0.136 52.931 53.050 0.028 0.000 0.858 1115 N CB 0.272 38.774 38.487 0.026 0.000 0.970 1115 N HN 0.154 nan 8.380 nan 0.000 0.471 1116 I N 0.886 121.491 120.570 0.059 0.000 2.362 1116 I HA 0.209 4.391 4.170 0.020 0.000 0.289 1116 I C -0.491 175.657 176.117 0.052 0.000 0.994 1116 I CA -0.387 60.956 61.300 0.072 0.000 1.158 1116 I CB 1.880 39.974 38.000 0.158 0.000 1.315 1116 I HN -0.194 nan 8.210 nan 0.000 0.451 1117 T N 6.819 121.382 114.554 0.015 0.000 2.824 1117 T HA 0.525 4.887 4.350 0.020 0.000 0.282 1117 T C -0.154 174.521 174.700 -0.043 0.000 0.993 1117 T CA -0.589 61.507 62.100 -0.006 0.000 0.967 1117 T CB 1.322 70.189 68.868 -0.002 0.000 0.960 1117 T HN 0.275 nan 8.240 nan 0.000 0.441 1118 L N 4.010 125.181 121.223 -0.086 0.000 2.305 1118 L HA 0.437 4.789 4.340 0.020 0.000 0.281 1118 L C 0.904 177.750 176.870 -0.039 0.000 1.085 1118 L CA -0.424 54.334 54.840 -0.138 0.000 0.813 1118 L CB 0.724 42.559 42.059 -0.373 0.000 1.157 1118 L HN 0.696 nan 8.230 nan 0.000 0.436 1119 I N 2.174 122.758 120.570 0.023 0.000 2.685 1119 I HA 0.077 4.259 4.170 0.020 0.000 0.251 1119 I C 0.549 176.722 176.117 0.093 0.000 1.102 1119 I CA 0.354 61.682 61.300 0.047 0.000 1.442 1119 I CB 0.298 38.320 38.000 0.037 0.000 1.194 1119 I HN 0.679 nan 8.210 nan 0.000 0.448 1120 R N 0.059 120.657 120.500 0.162 0.000 2.664 1120 R HA 0.542 4.894 4.340 0.020 0.000 0.266 1120 R C -0.581 175.859 176.300 0.234 0.000 1.046 1120 R CA -0.846 55.359 56.100 0.176 0.000 0.885 1120 R CB 0.473 30.817 30.300 0.073 0.000 1.254 1120 R HN -0.044 nan 8.270 nan 0.000 0.465 1121 G N 1.274 110.147 108.800 0.122 0.000 2.442 1121 G HA2 0.384 4.356 3.960 0.020 0.000 0.249 1121 G HA3 0.384 4.356 3.960 0.020 0.000 0.249 1121 G C 0.076 174.825 174.900 -0.252 0.000 1.263 1121 G CA -0.887 44.096 45.100 -0.196 0.000 0.846 1121 G HN 0.478 nan 8.290 nan 0.000 0.555 1122 L N 2.016 123.060 121.223 -0.298 0.000 2.984 1122 L HA 0.342 4.694 4.340 0.020 0.000 0.246 1122 L C 1.191 177.919 176.870 -0.236 0.000 1.268 1122 L CA 0.095 54.818 54.840 -0.195 0.000 1.054 1122 L CB -0.171 41.833 42.059 -0.092 0.000 1.393 1122 L HN 0.904 nan 8.230 nan 0.000 0.532 1123 G N 0.433 108.980 108.800 -0.422 0.000 2.846 1123 G HA2 -0.209 3.763 3.960 0.020 0.000 0.254 1123 G HA3 -0.209 3.763 3.960 0.020 0.000 0.254 1123 G C -0.272 174.468 174.900 -0.265 0.000 1.017 1123 G CA -0.570 44.328 45.100 -0.337 0.000 1.188 1123 G HN 0.568 nan 8.290 nan 0.000 0.518 1124 H N 0.079 119.076 119.070 -0.121 0.000 2.757 1124 H HA 0.492 5.059 4.556 0.019 0.000 0.370 1124 H C 1.389 176.691 175.328 -0.045 0.000 1.172 1124 H CA 0.392 56.373 56.048 -0.111 0.000 1.426 1124 H CB 0.874 30.555 29.762 -0.134 0.000 1.438 1124 H HN 0.676 nan 8.280 nan 0.000 0.612 1125 G N -0.660 108.212 108.800 0.121 0.000 2.537 1125 G HA2 0.378 4.350 3.960 0.020 0.000 0.297 1125 G HA3 0.378 4.350 3.960 0.020 0.000 0.297 1125 G C 0.686 175.649 174.900 0.104 0.000 1.310 1125 G CA -0.248 44.910 45.100 0.097 0.000 1.027 1125 G HN 0.714 nan 8.290 nan 0.000 0.505 1126 A N -1.354 121.537 122.820 0.118 0.000 2.119 1126 A HA 0.346 4.678 4.320 0.020 0.000 0.216 1126 A C 0.360 178.068 177.584 0.207 0.000 1.152 1126 A CA 0.637 52.753 52.037 0.132 0.000 0.708 1126 A CB -0.208 18.863 19.000 0.119 0.000 0.805 1126 A HN 0.555 nan 8.150 nan 0.000 0.460 1127 F N -0.343 119.630 119.950 0.039 0.000 2.949 1127 F HA 0.500 5.038 4.527 0.019 0.000 0.376 1127 F C 0.134 175.962 175.800 0.047 0.000 1.205 1127 F CA 0.564 58.584 58.000 0.034 0.000 1.155 1127 F CB 0.853 39.874 39.000 0.036 0.000 1.495 1127 F HN 0.484 nan 8.300 nan 0.000 0.551 1128 G N 3.665 112.310 108.800 -0.259 0.000 2.674 1128 G HA2 0.002 3.974 3.960 0.020 0.000 0.686 1128 G HA3 0.002 3.974 3.960 0.020 0.000 0.686 1128 G C -1.485 173.380 174.900 -0.059 0.000 1.195 1128 G CA -1.106 43.895 45.100 -0.166 0.000 0.776 1128 G HN 0.551 nan 8.290 nan 0.000 0.654 1129 E N -0.945 119.210 120.200 -0.076 0.000 2.222 1129 E HA 0.700 5.062 4.350 0.020 0.000 0.267 1129 E C -0.443 176.155 176.600 -0.003 0.000 0.963 1129 E CA -1.039 55.271 56.400 -0.150 0.000 0.837 1129 E CB 2.678 32.076 29.700 -0.504 0.000 1.183 1129 E HN 0.443 nan 8.360 nan 0.000 0.403 1130 V N 2.192 122.109 119.914 0.005 0.000 2.588 1130 V HA 0.382 4.514 4.120 0.020 0.000 0.304 1130 V C -1.368 174.626 176.094 -0.168 0.000 1.042 1130 V CA -0.772 61.525 62.300 -0.007 0.000 0.877 1130 V CB 0.859 32.691 31.823 0.015 0.000 0.996 1130 V HN 0.568 nan 8.190 nan 0.000 0.425 1131 Y N 1.214 121.519 120.300 0.007 0.000 2.536 1131 Y HA 0.466 5.029 4.550 0.022 0.000 0.347 1131 Y C 0.280 176.155 175.900 -0.041 0.000 1.000 1131 Y CA -0.831 57.263 58.100 -0.010 0.000 1.051 1131 Y CB 1.783 40.200 38.460 -0.072 0.000 1.259 1131 Y HN 0.685 nan 8.280 nan 0.000 0.468 1132 E N 1.244 121.522 120.200 0.130 0.000 2.316 1132 E HA 0.534 4.896 4.350 0.020 0.000 0.275 1132 E C -0.367 176.271 176.600 0.062 0.000 1.029 1132 E CA -0.147 56.293 56.400 0.067 0.000 0.871 1132 E CB 0.655 30.381 29.700 0.043 0.000 1.022 1132 E HN 0.860 nan 8.360 nan 0.000 0.418 1133 G N 2.811 111.621 108.800 0.015 0.000 2.798 1133 G HA2 0.373 4.345 3.960 0.020 0.000 0.286 1133 G HA3 0.373 4.345 3.960 0.020 0.000 0.286 1133 G C -1.491 173.404 174.900 -0.009 0.000 1.389 1133 G CA -0.544 44.546 45.100 -0.016 0.000 0.894 1133 G HN 0.539 nan 8.290 nan 0.000 0.488 1134 Q N -0.675 119.119 119.800 -0.010 0.000 2.289 1134 Q HA 0.552 4.904 4.340 0.020 0.000 0.270 1134 Q C -1.665 174.338 176.000 0.004 0.000 1.038 1134 Q CA -0.585 55.217 55.803 -0.001 0.000 0.812 1134 Q CB 2.924 31.663 28.738 0.001 0.000 1.300 1134 Q HN 0.389 nan 8.270 nan 0.000 0.427 1135 V N 2.211 122.129 119.914 0.008 0.000 2.384 1135 V HA 0.693 4.825 4.120 0.020 0.000 0.287 1135 V C -0.589 175.512 176.094 0.011 0.000 1.020 1135 V CA -0.387 61.922 62.300 0.015 0.000 0.850 1135 V CB 1.570 33.404 31.823 0.018 0.000 0.987 1135 V HN 0.677 nan 8.190 nan 0.000 0.436 1136 S N 3.007 118.715 115.700 0.012 0.000 2.605 1136 S HA 0.680 5.162 4.470 0.020 0.000 0.279 1136 S C -0.073 174.533 174.600 0.009 0.000 1.166 1136 S CA 0.004 58.209 58.200 0.009 0.000 0.975 1136 S CB 1.321 64.525 63.200 0.007 0.000 1.111 1136 S HN 1.085 nan 8.310 nan 0.000 0.465 1144 P HA 0.548 nan 4.420 nan 0.000 0.279 1144 P C -0.607 176.694 177.300 0.001 0.000 1.239 1144 P CA -0.638 62.464 63.100 0.002 0.000 0.789 1144 P CB 0.587 32.289 31.700 0.003 0.000 0.933 1145 L N 2.490 123.714 121.223 0.002 0.000 2.315 1145 L HA 0.213 4.565 4.340 0.020 0.000 0.283 1145 L C 0.269 177.140 176.870 0.000 0.000 1.089 1145 L CA -0.071 54.769 54.840 0.000 0.000 0.833 1145 L CB 0.235 42.294 42.059 0.001 0.000 1.170 1145 L HN 0.341 nan 8.230 nan 0.000 0.442 1146 Q N 3.193 122.992 119.800 -0.001 0.000 2.288 1146 Q HA 0.595 4.947 4.340 0.020 0.000 0.254 1146 Q C -0.935 175.063 176.000 -0.002 0.000 0.932 1146 Q CA -0.003 55.800 55.803 -0.001 0.000 0.902 1146 Q CB 1.269 30.007 28.738 -0.001 0.000 1.203 1146 Q HN 0.549 nan 8.270 nan 0.000 0.415 1147 V N -0.255 119.658 119.914 -0.003 0.000 3.159 1147 V HA 0.999 5.131 4.120 0.020 0.000 0.308 1147 V C -1.051 175.041 176.094 -0.003 0.000 1.190 1147 V CA -1.026 61.271 62.300 -0.005 0.000 1.037 1147 V CB 1.705 33.524 31.823 -0.007 0.000 1.060 1147 V HN 0.813 nan 8.190 nan 0.000 0.437 1148 A N 1.809 124.628 122.820 -0.001 0.000 2.309 1148 A HA 0.819 5.151 4.320 0.020 0.000 0.298 1148 A C -0.419 177.160 177.584 -0.009 0.000 1.165 1148 A CA -0.586 51.454 52.037 0.005 0.000 0.821 1148 A CB 1.096 20.102 19.000 0.010 0.000 1.102 1148 A HN 1.472 nan 8.150 nan 0.000 0.500 1149 V N 2.352 122.256 119.914 -0.017 0.000 2.357 1149 V HA 0.401 4.533 4.120 0.020 0.000 0.284 1149 V C 0.237 176.328 176.094 -0.004 0.000 1.018 1149 V CA -0.745 61.495 62.300 -0.100 0.000 0.841 1149 V CB 1.231 32.845 31.823 -0.349 0.000 0.991 1149 V HN 0.792 nan 8.190 nan 0.000 0.437 1150 K N 3.394 123.833 120.400 0.066 0.000 2.211 1150 K HA 0.644 4.976 4.320 0.020 0.000 0.275 1150 K C 0.084 176.888 176.600 0.340 0.000 1.024 1150 K CA -0.188 56.209 56.287 0.183 0.000 0.887 1150 K CB 1.430 34.042 32.500 0.186 0.000 1.084 1150 K HN 1.059 nan 8.250 nan 0.000 0.463 1151 T N 1.535 116.256 114.554 0.278 0.000 2.925 1151 T HA 0.593 4.955 4.350 0.020 0.000 0.285 1151 T C -0.365 174.295 174.700 -0.066 0.000 1.021 1151 T CA -0.920 61.331 62.100 0.251 0.000 1.042 1151 T CB 1.300 70.305 68.868 0.228 0.000 1.037 1151 T HN 0.469 nan 8.240 nan 0.000 0.481 1152 L N 3.227 124.149 121.223 -0.502 0.000 2.282 1152 L HA 0.584 4.936 4.340 0.020 0.000 0.288 1152 L C -2.630 173.953 176.870 -0.479 0.000 1.033 1152 L CA -2.171 52.185 54.840 -0.807 0.000 0.807 1152 L CB 0.867 42.078 42.059 -1.413 0.000 1.209 1152 L HN 0.483 nan 8.230 nan 0.000 0.423 1153 P HA 0.087 nan 4.420 nan 0.000 0.265 1153 P C -0.007 177.133 177.300 -0.267 0.000 1.193 1153 P CA 0.069 62.913 63.100 -0.425 0.000 0.765 1153 P CB 0.555 31.862 31.700 -0.655 0.000 0.823 1154 E N 0.912 121.005 120.200 -0.178 0.000 2.150 1154 E HA -0.061 4.301 4.350 0.020 0.000 0.193 1154 E C 0.148 176.702 176.600 -0.077 0.000 0.985 1154 E CA 0.886 57.213 56.400 -0.122 0.000 0.814 1154 E CB 0.061 29.702 29.700 -0.097 0.000 0.752 1154 E HN 0.223 nan 8.360 nan 0.000 0.466 1155 V N 3.064 122.938 119.914 -0.066 0.000 2.326 1155 V HA 0.058 4.190 4.120 0.020 0.000 0.249 1155 V C 0.302 176.423 176.094 0.044 0.000 1.114 1155 V CA -0.324 61.968 62.300 -0.012 0.000 1.028 1155 V CB -0.761 31.060 31.823 -0.004 0.000 1.170 1155 V HN 0.332 nan 8.190 nan 0.000 0.494 1156 C N 2.328 121.668 119.300 0.066 0.000 3.311 1156 C HA 0.838 5.310 4.460 0.020 0.000 0.325 1156 C C 0.273 175.317 174.990 0.091 0.000 1.352 1156 C CA -0.451 58.663 59.018 0.159 0.000 1.308 1156 C CB 1.327 29.202 27.740 0.224 0.000 1.619 1156 C HN 0.719 nan 8.230 nan 0.000 0.469 1157 S N 0.429 116.181 115.700 0.087 0.000 2.655 1157 S HA 0.373 4.855 4.470 0.020 0.000 0.265 1157 S C 0.609 175.238 174.600 0.047 0.000 1.240 1157 S CA 0.166 58.394 58.200 0.046 0.000 0.986 1157 S CB 0.483 63.696 63.200 0.022 0.000 0.985 1157 S HN 0.871 nan 8.310 nan 0.000 0.562 1158 E N -0.053 120.167 120.200 0.033 0.000 2.150 1158 E HA -0.172 4.190 4.350 0.020 0.000 0.193 1158 E C 1.973 178.600 176.600 0.045 0.000 0.985 1158 E CA 0.909 57.331 56.400 0.036 0.000 0.814 1158 E CB -0.186 29.530 29.700 0.027 0.000 0.752 1158 E HN 0.578 nan 8.360 nan 0.000 0.466 1159 Q N 1.055 120.875 119.800 0.033 0.000 2.050 1159 Q HA -0.176 4.176 4.340 0.020 0.000 0.202 1159 Q C 1.483 177.512 176.000 0.049 0.000 0.980 1159 Q CA 1.558 57.378 55.803 0.028 0.000 0.840 1159 Q CB -0.125 28.612 28.738 -0.001 0.000 0.898 1159 Q HN 0.212 nan 8.270 nan 0.000 0.424 1160 D N -0.322 120.112 120.400 0.057 0.000 2.144 1160 D HA -0.168 4.484 4.640 0.020 0.000 0.199 1160 D C 1.623 178.028 176.300 0.176 0.000 0.984 1160 D CA 1.142 55.211 54.000 0.115 0.000 0.834 1160 D CB -0.103 40.807 40.800 0.183 0.000 0.955 1160 D HN 0.433 nan 8.370 nan 0.000 0.465 1161 E N 0.039 120.317 120.200 0.129 0.000 2.072 1161 E HA -0.083 4.279 4.350 0.020 0.000 0.191 1161 E C 2.267 178.972 176.600 0.175 0.000 0.985 1161 E CA 0.377 56.859 56.400 0.136 0.000 0.801 1161 E CB -0.018 29.727 29.700 0.075 0.000 0.750 1161 E HN 0.180 nan 8.360 nan 0.000 0.452 1162 L N 0.928 122.225 121.223 0.123 0.000 2.083 1162 L HA -0.207 4.145 4.340 0.020 0.000 0.209 1162 L C 2.056 178.998 176.870 0.119 0.000 1.083 1162 L CA 1.069 55.974 54.840 0.108 0.000 0.752 1162 L CB -0.312 41.795 42.059 0.080 0.000 0.899 1162 L HN 0.139 nan 8.230 nan 0.000 0.433 1163 D N -0.421 120.058 120.400 0.131 0.000 2.144 1163 D HA -0.213 4.438 4.640 0.020 0.000 0.199 1163 D C 1.930 178.330 176.300 0.166 0.000 0.984 1163 D CA 1.218 55.295 54.000 0.127 0.000 0.834 1163 D CB -0.160 40.713 40.800 0.121 0.000 0.955 1163 D HN 0.225 nan 8.370 nan 0.000 0.465 1164 F N 0.818 120.809 119.950 0.068 0.000 2.113 1164 F HA -0.153 4.386 4.527 0.018 0.000 0.297 1164 F C 2.114 177.931 175.800 0.028 0.000 1.103 1164 F CA 0.662 58.703 58.000 0.069 0.000 1.248 1164 F CB -0.099 38.956 39.000 0.092 0.000 0.999 1164 F HN -0.078 nan 8.300 nan 0.000 0.475 1165 L N 0.314 121.626 121.223 0.149 0.000 2.042 1165 L HA -0.219 4.133 4.340 0.020 0.000 0.210 1165 L C 2.228 179.043 176.870 -0.091 0.000 1.076 1165 L CA 2.061 56.912 54.840 0.019 0.000 0.749 1165 L CB -0.987 41.118 42.059 0.076 0.000 0.893 1165 L HN 0.334 nan 8.230 nan 0.000 0.432 1166 M N -0.260 119.302 119.600 -0.064 0.000 2.175 1166 M HA -0.171 4.321 4.480 0.020 0.000 0.264 1166 M C 2.204 178.333 176.300 -0.286 0.000 1.063 1166 M CA 1.774 56.979 55.300 -0.159 0.000 1.119 1166 M CB -0.566 31.996 32.600 -0.063 0.000 1.377 1166 M HN 0.508 nan 8.290 nan 0.000 0.415 1167 E N -0.490 119.584 120.200 -0.210 0.000 2.058 1167 E HA -0.234 4.128 4.350 0.020 0.000 0.194 1167 E C 1.840 178.251 176.600 -0.316 0.000 0.997 1167 E CA 1.508 57.771 56.400 -0.228 0.000 0.801 1167 E CB -0.178 29.421 29.700 -0.169 0.000 0.746 1167 E HN 0.588 nan 8.360 nan 0.000 0.450 1168 A N 1.078 123.692 122.820 -0.344 0.000 1.877 1168 A HA -0.170 4.162 4.320 0.020 0.000 0.216 1168 A C 2.246 179.643 177.584 -0.310 0.000 1.186 1168 A CA 1.288 53.141 52.037 -0.307 0.000 0.620 1168 A CB -0.712 18.122 19.000 -0.276 0.000 0.822 1168 A HN 0.310 nan 8.150 nan 0.000 0.443 1169 L N -0.729 120.290 121.223 -0.339 0.000 1.994 1169 L HA -0.207 4.145 4.340 0.020 0.000 0.208 1169 L C 2.550 179.019 176.870 -0.669 0.000 1.071 1169 L CA 1.505 56.117 54.840 -0.379 0.000 0.745 1169 L CB -0.547 41.315 42.059 -0.329 0.000 0.892 1169 L HN 0.386 nan 8.230 nan 0.000 0.431 1170 I N -0.117 119.851 120.570 -1.004 0.000 2.118 1170 I HA -0.364 3.818 4.170 0.020 0.000 0.241 1170 I C 2.417 177.814 176.117 -1.200 0.000 1.070 1170 I CA 1.745 62.249 61.300 -1.327 0.000 1.327 1170 I CB -0.262 37.143 38.000 -0.993 0.000 1.034 1170 I HN 0.169 nan 8.210 nan 0.000 0.405 1171 I N 0.359 120.491 120.570 -0.730 0.000 2.226 1171 I HA -0.285 3.897 4.170 0.020 0.000 0.245 1171 I C 2.715 178.597 176.117 -0.391 0.000 1.100 1171 I CA 1.693 62.703 61.300 -0.482 0.000 1.374 1171 I CB -0.485 37.399 38.000 -0.194 0.000 1.057 1171 I HN 0.344 nan 8.210 nan 0.000 0.413 1172 S N 0.544 116.038 115.700 -0.343 0.000 2.447 1172 S HA -0.109 4.373 4.470 0.020 0.000 0.233 1172 S C 1.864 176.344 174.600 -0.201 0.000 1.006 1172 S CA 0.749 58.824 58.200 -0.209 0.000 0.957 1172 S CB -0.140 62.967 63.200 -0.155 0.000 0.773 1172 S HN 0.277 nan 8.310 nan 0.000 0.507 1173 K N 0.377 120.564 120.400 -0.355 0.000 2.400 1173 K HA 0.317 4.649 4.320 0.020 0.000 0.194 1173 K C -0.262 176.199 176.600 -0.230 0.000 1.033 1173 K CA -0.168 55.986 56.287 -0.223 0.000 1.021 1173 K CB -0.388 32.066 32.500 -0.077 0.000 0.808 1173 K HN 0.416 nan 8.250 nan 0.000 0.505 1174 F N 1.605 121.373 119.950 -0.304 0.000 2.459 1174 F HA 0.118 4.657 4.527 0.019 0.000 0.346 1174 F C 0.979 176.759 175.800 -0.034 0.000 1.128 1174 F CA -0.745 57.147 58.000 -0.180 0.000 1.268 1174 F CB 0.121 38.915 39.000 -0.344 0.000 1.161 1174 F HN -0.073 nan 8.300 nan 0.000 0.583 1175 N N 1.921 120.776 118.700 0.258 0.000 2.690 1175 N HA 0.143 4.895 4.740 0.020 0.000 0.255 1175 N C -1.642 173.736 175.510 -0.219 0.000 1.195 1175 N CA -0.223 52.857 53.050 0.049 0.000 0.790 1175 N CB 0.152 38.721 38.487 0.137 0.000 1.216 1175 N HN 0.647 nan 8.380 nan 0.000 0.528 1176 H N 1.106 119.921 119.070 -0.424 0.000 3.085 1176 H HA 0.116 4.684 4.556 0.020 0.000 0.356 1176 H C -0.335 174.820 175.328 -0.289 0.000 1.178 1176 H CA -0.229 55.500 56.048 -0.531 0.000 1.214 1176 H CB 1.913 31.015 29.762 -1.101 0.000 1.881 1176 H HN 0.503 nan 8.280 nan 0.000 0.538 1177 Q N 2.578 122.020 119.800 -0.598 0.000 2.436 1177 Q HA 0.001 4.353 4.340 0.020 0.000 0.209 1177 Q C -0.221 175.718 176.000 -0.102 0.000 0.965 1177 Q CA 0.894 56.524 55.803 -0.288 0.000 0.910 1177 Q CB 0.298 28.862 28.738 -0.290 0.000 0.980 1177 Q HN 0.436 nan 8.270 nan 0.000 0.491 1178 N N 0.149 118.922 118.700 0.121 0.000 2.279 1178 N HA 0.217 4.969 4.740 0.020 0.000 0.226 1178 N C -0.844 174.694 175.510 0.046 0.000 1.126 1178 N CA 0.234 53.351 53.050 0.111 0.000 0.846 1178 N CB 0.883 39.456 38.487 0.143 0.000 1.050 1178 N HN 0.204 nan 8.380 nan 0.000 0.502 1179 I N 1.059 121.642 120.570 0.023 0.000 2.466 1179 I HA 0.166 4.348 4.170 0.020 0.000 0.289 1179 I C 0.348 176.484 176.117 0.031 0.000 1.026 1179 I CA -1.253 60.054 61.300 0.011 0.000 1.078 1179 I CB 2.436 40.380 38.000 -0.094 0.000 1.249 1179 I HN -0.211 nan 8.210 nan 0.000 0.429 1180 V N 4.082 124.039 119.914 0.073 0.000 2.720 1180 V HA 0.214 4.346 4.120 0.020 0.000 0.307 1180 V C 0.418 176.536 176.094 0.041 0.000 1.071 1180 V CA -0.373 61.956 62.300 0.049 0.000 1.199 1180 V CB -0.022 31.838 31.823 0.062 0.000 0.900 1180 V HN 0.639 nan 8.190 nan 0.000 0.494 1181 R N 3.027 123.531 120.500 0.008 0.000 2.490 1181 R HA 0.390 4.742 4.340 0.020 0.000 0.278 1181 R C -0.199 176.096 176.300 -0.009 0.000 1.069 1181 R CA -0.351 55.746 56.100 -0.005 0.000 1.080 1181 R CB 0.994 31.284 30.300 -0.017 0.000 1.030 1181 R HN 0.983 nan 8.270 nan 0.000 0.491 1182 C N 4.580 123.864 119.300 -0.027 0.000 2.265 1182 C HA 0.353 4.825 4.460 0.020 0.000 0.332 1182 C C 1.976 176.949 174.990 -0.028 0.000 1.248 1182 C CA -0.622 58.373 59.018 -0.038 0.000 1.727 1182 C CB -1.325 26.370 27.740 -0.075 0.000 2.348 1182 C HN 0.885 nan 8.230 nan 0.000 0.519 1183 I N 4.527 125.088 120.570 -0.016 0.000 2.500 1183 I HA 0.226 4.408 4.170 0.020 0.000 0.252 1183 I C 1.607 177.722 176.117 -0.003 0.000 1.142 1183 I CA 1.585 62.881 61.300 -0.008 0.000 1.451 1183 I CB -0.195 37.804 38.000 -0.002 0.000 1.093 1183 I HN 0.935 nan 8.210 nan 0.000 0.430 1184 G N -0.277 108.522 108.800 -0.001 0.000 2.336 1184 G HA2 0.407 4.379 3.960 0.020 0.000 0.286 1184 G HA3 0.407 4.379 3.960 0.020 0.000 0.286 1184 G C -1.505 173.407 174.900 0.020 0.000 1.269 1184 G CA -0.000 45.103 45.100 0.006 0.000 0.873 1184 G HN 0.086 nan 8.290 nan 0.000 0.494 1185 V N -3.272 116.666 119.914 0.040 0.000 3.159 1185 V HA 0.933 5.064 4.120 0.020 0.000 0.308 1185 V C -0.325 175.831 176.094 0.104 0.000 1.190 1185 V CA -0.171 62.175 62.300 0.077 0.000 1.037 1185 V CB 1.684 33.534 31.823 0.045 0.000 1.060 1185 V HN 1.822 nan 8.190 nan 0.000 0.437 1186 S N 1.587 117.379 115.700 0.154 0.000 2.395 1186 S HA 0.520 5.002 4.470 0.020 0.000 0.207 1186 S C -0.105 174.516 174.600 0.036 0.000 1.454 1186 S CA -0.413 57.836 58.200 0.083 0.000 1.211 1186 S CB 0.511 63.767 63.200 0.095 0.000 1.093 1186 S HN 0.702 nan 8.310 nan 0.000 0.472 1187 L N 3.607 124.854 121.223 0.041 0.000 2.529 1187 L HA 0.397 4.749 4.340 0.020 0.000 0.223 1187 L C 2.008 178.871 176.870 -0.011 0.000 1.113 1187 L CA 1.287 56.153 54.840 0.043 0.000 0.861 1187 L CB -0.354 41.747 42.059 0.070 0.000 1.012 1187 L HN 0.643 nan 8.230 nan 0.000 0.461 1188 Q N -1.591 118.190 119.800 -0.031 0.000 2.320 1188 Q HA 0.204 4.556 4.340 0.020 0.000 0.201 1188 Q C 0.008 175.965 176.000 -0.072 0.000 0.910 1188 Q CA -0.024 55.756 55.803 -0.040 0.000 0.946 1188 Q CB 0.589 29.312 28.738 -0.025 0.000 1.062 1188 Q HN 0.235 nan 8.270 nan 0.000 0.503 1189 S N -0.192 115.435 115.700 -0.122 0.000 2.599 1189 S HA 0.574 5.056 4.470 0.020 0.000 0.287 1189 S C -0.905 173.557 174.600 -0.230 0.000 1.105 1189 S CA -0.725 57.374 58.200 -0.168 0.000 0.899 1189 S CB 1.521 64.601 63.200 -0.200 0.000 1.100 1189 S HN 0.108 nan 8.310 nan 0.000 0.482 1190 L N 2.787 123.882 121.223 -0.213 0.000 2.325 1190 L HA 0.538 4.890 4.340 0.020 0.000 0.278 1190 L C -2.066 174.650 176.870 -0.256 0.000 1.023 1190 L CA -1.980 52.727 54.840 -0.222 0.000 0.811 1190 L CB 1.186 43.160 42.059 -0.143 0.000 1.249 1190 L HN 0.425 nan 8.230 nan 0.000 0.431 1191 P HA 0.183 nan 4.420 nan 0.000 0.272 1191 P C -0.988 176.079 177.300 -0.388 0.000 1.223 1191 P CA -0.522 62.430 63.100 -0.246 0.000 0.784 1191 P CB 0.551 32.184 31.700 -0.111 0.000 0.923 1192 R N 1.333 121.674 120.500 -0.265 0.000 2.543 1192 R HA 0.379 4.730 4.340 0.020 0.000 0.277 1192 R C -0.246 176.152 176.300 0.164 0.000 1.074 1192 R CA 0.088 56.102 56.100 -0.144 0.000 1.076 1192 R CB 0.004 30.262 30.300 -0.069 0.000 0.993 1192 R HN 0.376 nan 8.270 nan 0.000 0.459 1193 F N 1.681 121.755 119.950 0.207 0.000 2.546 1193 F HA 0.525 5.064 4.527 0.020 0.000 0.320 1193 F C 0.448 176.417 175.800 0.283 0.000 1.076 1193 F CA -1.656 56.498 58.000 0.258 0.000 0.928 1193 F CB 1.206 40.274 39.000 0.114 0.000 1.189 1193 F HN 0.243 nan 8.300 nan 0.000 0.465 1194 I N 3.890 124.701 120.570 0.402 0.000 2.433 1194 I HA 0.379 4.561 4.170 0.020 0.000 0.292 1194 I C -0.970 175.193 176.117 0.076 0.000 1.001 1194 I CA -0.692 60.661 61.300 0.089 0.000 1.119 1194 I CB 1.907 39.800 38.000 -0.178 0.000 1.289 1194 I HN 0.269 nan 8.210 nan 0.000 0.438 1195 L N 7.138 128.388 121.223 0.045 0.000 2.272 1195 L HA 0.582 4.934 4.340 0.020 0.000 0.289 1195 L C -0.608 176.262 176.870 0.001 0.000 1.032 1195 L CA -0.426 54.427 54.840 0.022 0.000 0.810 1195 L CB 0.937 43.017 42.059 0.035 0.000 1.205 1195 L HN 0.392 nan 8.230 nan 0.000 0.422 1196 L N 1.968 123.191 121.223 -0.000 0.000 2.319 1196 L HA 0.435 4.787 4.340 0.020 0.000 0.267 1196 L C 0.316 177.186 176.870 -0.001 0.000 1.011 1196 L CA -0.820 54.020 54.840 -0.000 0.000 0.818 1196 L CB 2.143 44.207 42.059 0.009 0.000 1.316 1196 L HN 0.575 nan 8.230 nan 0.000 0.432 1197 E N 1.531 121.730 120.200 -0.002 0.000 2.652 1197 E HA -0.065 4.297 4.350 0.020 0.000 0.255 1197 E C -0.804 175.794 176.600 -0.004 0.000 0.952 1197 E CA -0.388 56.008 56.400 -0.005 0.000 0.947 1197 E CB 0.681 30.376 29.700 -0.008 0.000 0.912 1197 E HN 0.295 nan 8.360 nan 0.000 0.489 1198 L N 6.116 127.335 121.223 -0.006 0.000 2.361 1198 L HA 0.116 4.468 4.340 0.020 0.000 0.278 1198 L C -0.545 176.317 176.870 -0.012 0.000 1.113 1198 L CA 0.410 55.247 54.840 -0.006 0.000 0.849 1198 L CB 0.794 42.850 42.059 -0.004 0.000 1.155 1198 L HN 0.605 nan 8.230 nan 0.000 0.452 1199 M N 6.022 125.615 119.600 -0.012 0.000 2.385 1199 M HA 0.286 4.778 4.480 0.020 0.000 0.346 1199 M C 0.946 177.234 176.300 -0.020 0.000 1.180 1199 M CA -0.196 55.090 55.300 -0.023 0.000 1.154 1199 M CB 0.503 33.088 32.600 -0.025 0.000 1.251 1199 M HN 0.770 nan 8.290 nan 0.000 0.430 1200 A N 1.685 124.494 122.820 -0.019 0.000 2.168 1200 A HA 0.177 4.509 4.320 0.020 0.000 0.215 1200 A C 1.834 179.419 177.584 0.002 0.000 1.152 1200 A CA 1.478 53.511 52.037 -0.007 0.000 0.716 1200 A CB -0.432 18.565 19.000 -0.004 0.000 0.794 1200 A HN 0.833 nan 8.150 nan 0.000 0.465 1201 G N -1.273 107.515 108.800 -0.021 0.000 2.712 1201 G HA2 0.415 4.387 3.960 0.020 0.000 0.212 1201 G HA3 0.415 4.387 3.960 0.020 0.000 0.212 1201 G C 1.017 175.935 174.900 0.030 0.000 1.142 1201 G CA 0.591 45.685 45.100 -0.010 0.000 0.789 1201 G HN 1.534 nan 8.290 nan 0.000 0.535 1202 G N 0.701 109.505 108.800 0.006 0.000 2.693 1202 G HA2 -0.198 3.774 3.960 0.020 0.000 0.226 1202 G HA3 -0.198 3.774 3.960 0.020 0.000 0.226 1202 G C -0.154 174.755 174.900 0.014 0.000 1.354 1202 G CA -0.094 45.019 45.100 0.021 0.000 0.873 1202 G HN 0.773 nan 8.290 nan 0.000 0.562 1203 D N -0.121 120.297 120.400 0.029 0.000 2.362 1203 D HA 0.231 4.883 4.640 0.020 0.000 0.242 1203 D C 1.675 178.017 176.300 0.070 0.000 1.132 1203 D CA -0.039 53.977 54.000 0.028 0.000 0.907 1203 D CB 1.466 42.279 40.800 0.023 0.000 1.195 1203 D HN 0.649 nan 8.370 nan 0.000 0.429 1204 L N 2.319 123.571 121.223 0.048 0.000 2.093 1204 L HA -0.137 4.215 4.340 0.020 0.000 0.208 1204 L C 2.458 179.424 176.870 0.160 0.000 1.085 1204 L CA 1.700 56.596 54.840 0.093 0.000 0.755 1204 L CB -0.802 41.278 42.059 0.035 0.000 0.904 1204 L HN 0.604 nan 8.230 nan 0.000 0.435 1205 K N -0.993 119.476 120.400 0.116 0.000 2.002 1205 K HA -0.150 4.181 4.320 0.020 0.000 0.209 1205 K C 2.063 178.721 176.600 0.097 0.000 1.048 1205 K CA 1.712 58.069 56.287 0.118 0.000 0.930 1205 K CB -0.147 32.421 32.500 0.113 0.000 0.714 1205 K HN 0.388 nan 8.250 nan 0.000 0.438 1206 S N 0.666 116.419 115.700 0.087 0.000 2.370 1206 S HA -0.168 4.314 4.470 0.020 0.000 0.226 1206 S C 1.550 176.191 174.600 0.069 0.000 1.033 1206 S CA 1.482 59.718 58.200 0.061 0.000 1.011 1206 S CB -0.487 62.745 63.200 0.053 0.000 0.852 1206 S HN 0.429 nan 8.310 nan 0.000 0.457 1207 F N 2.307 122.249 119.950 -0.013 0.000 2.095 1207 F HA -0.140 4.399 4.527 0.019 0.000 0.298 1207 F C 1.841 177.627 175.800 -0.023 0.000 1.104 1207 F CA 1.380 59.368 58.000 -0.019 0.000 1.232 1207 F CB -0.392 38.596 39.000 -0.020 0.000 0.987 1207 F HN 0.085 nan 8.300 nan 0.000 0.475 1208 L N 0.060 121.302 121.223 0.032 0.000 2.017 1208 L HA -0.214 4.138 4.340 0.020 0.000 0.208 1208 L C 2.687 179.466 176.870 -0.153 0.000 1.073 1208 L CA 1.584 56.371 54.840 -0.088 0.000 0.745 1208 L CB -0.692 41.397 42.059 0.050 0.000 0.894 1208 L HN 0.058 nan 8.230 nan 0.000 0.432 1209 R N -0.067 120.382 120.500 -0.086 0.000 2.081 1209 R HA -0.168 4.184 4.340 0.020 0.000 0.235 1209 R C 2.157 178.378 176.300 -0.131 0.000 1.131 1209 R CA 1.536 57.581 56.100 -0.091 0.000 0.960 1209 R CB -0.220 30.044 30.300 -0.060 0.000 0.856 1209 R HN 0.455 nan 8.270 nan 0.000 0.436 1210 E N -0.872 119.229 120.200 -0.165 0.000 2.216 1210 E HA -0.047 4.315 4.350 0.020 0.000 0.192 1210 E C 1.000 177.455 176.600 -0.242 0.000 0.988 1210 E CA 1.133 57.431 56.400 -0.170 0.000 0.834 1210 E CB 0.382 30.004 29.700 -0.131 0.000 0.772 1210 E HN 0.262 nan 8.360 nan 0.000 0.479 1211 T N 0.873 115.186 114.554 -0.401 0.000 3.054 1211 T HA 0.054 4.416 4.350 0.020 0.000 0.255 1211 T C 0.407 174.932 174.700 -0.292 0.000 1.035 1211 T CA -0.350 61.486 62.100 -0.441 0.000 0.941 1211 T CB -0.039 68.299 68.868 -0.883 0.000 1.026 1211 T HN 0.155 nan 8.240 nan 0.000 0.533 1212 R N 2.028 122.396 120.500 -0.220 0.000 2.449 1212 R HA 0.254 4.606 4.340 0.020 0.000 0.296 1212 R C -2.944 173.295 176.300 -0.100 0.000 1.047 1212 R CA -1.522 54.495 56.100 -0.138 0.000 1.018 1212 R CB -0.813 29.433 30.300 -0.089 0.000 0.962 1212 R HN -0.092 nan 8.270 nan 0.000 0.428 1213 P HA -0.160 nan 4.420 nan 0.000 0.257 1213 P C -0.822 176.448 177.300 -0.049 0.000 1.144 1213 P CA 0.870 63.933 63.100 -0.061 0.000 0.761 1213 P CB 0.320 31.990 31.700 -0.050 0.000 0.734 1214 R N 5.406 125.878 120.500 -0.047 0.000 2.599 1214 R HA 0.341 4.693 4.340 0.020 0.000 0.295 1214 R C -2.183 174.098 176.300 -0.030 0.000 0.963 1214 R CA -2.167 53.910 56.100 -0.038 0.000 0.883 1214 R CB 1.626 31.900 30.300 -0.043 0.000 1.171 1214 R HN 0.272 nan 8.270 nan 0.000 0.450 1215 P HA -0.033 nan 4.420 nan 0.000 0.244 1215 P C -0.617 176.672 177.300 -0.019 0.000 1.723 1215 P CA 0.612 63.700 63.100 -0.020 0.000 1.110 1215 P CB 0.161 31.851 31.700 -0.016 0.000 1.972 1216 S N 0.645 116.332 115.700 -0.022 0.000 4.953 1216 S HA 0.196 4.678 4.470 0.020 0.000 0.205 1216 S C 1.756 176.343 174.600 -0.021 0.000 1.226 1216 S CA 0.294 58.482 58.200 -0.020 0.000 0.993 1216 S CB -0.249 62.938 63.200 -0.022 0.000 2.001 1216 S HN 0.166 nan 8.310 nan 0.000 0.552 1217 Q N 1.575 121.361 119.800 -0.023 0.000 2.123 1217 Q HA 0.433 4.785 4.340 0.020 0.000 0.196 1217 Q C -0.139 175.845 176.000 -0.026 0.000 0.958 1217 Q CA 1.419 57.209 55.803 -0.023 0.000 0.841 1217 Q CB -2.345 26.381 28.738 -0.022 0.000 0.915 1217 Q HN 0.772 nan 8.270 nan 0.000 0.455 1218 P HA 0.224 nan 4.420 nan 0.000 0.331 1218 P C 0.098 177.375 177.300 -0.038 0.000 1.426 1218 P CA 0.809 63.885 63.100 -0.040 0.000 0.880 1218 P CB 0.254 31.920 31.700 -0.057 0.000 2.175 1219 S N -2.528 113.144 115.700 -0.047 0.000 3.808 1219 S HA -0.108 4.374 4.470 0.020 0.000 0.312 1219 S C 0.047 174.624 174.600 -0.037 0.000 1.134 1219 S CA 0.609 58.783 58.200 -0.043 0.000 0.884 1219 S CB -2.190 60.990 63.200 -0.033 0.000 0.918 1219 S HN 0.647 nan 8.310 nan 0.000 0.523 1220 S N 1.034 116.710 115.700 -0.041 0.000 2.468 1220 S HA 0.726 5.208 4.470 0.020 0.000 0.190 1220 S C -0.773 173.810 174.600 -0.028 0.000 1.445 1220 S CA -0.380 57.804 58.200 -0.027 0.000 1.084 1220 S CB 0.348 63.538 63.200 -0.016 0.000 1.175 1220 S HN 0.720 nan 8.310 nan 0.000 0.484 1221 L N 2.949 124.153 121.223 -0.032 0.000 2.591 1221 L HA 0.844 5.196 4.340 0.020 0.000 0.257 1221 L C -1.042 175.807 176.870 -0.035 0.000 0.935 1221 L CA -0.010 54.815 54.840 -0.025 0.000 0.873 1221 L CB 1.713 43.737 42.059 -0.058 0.000 1.397 1221 L HN 0.478 nan 8.230 nan 0.000 0.414 1222 A N 3.119 125.918 122.820 -0.035 0.000 2.486 1222 A HA 0.657 4.988 4.320 0.020 0.000 0.289 1222 A C 0.464 178.010 177.584 -0.064 0.000 1.176 1222 A CA -0.288 51.722 52.037 -0.045 0.000 0.757 1222 A CB 1.356 20.333 19.000 -0.039 0.000 1.337 1222 A HN 0.833 nan 8.150 nan 0.000 0.423 1223 M N -0.118 119.455 119.600 -0.045 0.000 2.106 1223 M HA -0.147 4.345 4.480 0.020 0.000 0.259 1223 M C 1.599 177.867 176.300 -0.053 0.000 1.068 1223 M CA 1.884 57.175 55.300 -0.016 0.000 1.100 1223 M CB -0.934 31.690 32.600 0.040 0.000 1.351 1223 M HN 0.758 nan 8.290 nan 0.000 0.404 1224 L N -0.037 121.122 121.223 -0.107 0.000 2.083 1224 L HA -0.207 4.145 4.340 0.020 0.000 0.209 1224 L C 1.794 178.458 176.870 -0.344 0.000 1.083 1224 L CA 1.964 56.655 54.840 -0.249 0.000 0.752 1224 L CB -0.963 40.932 42.059 -0.273 0.000 0.899 1224 L HN 0.337 nan 8.230 nan 0.000 0.433 1225 D N -0.482 119.811 120.400 -0.178 0.000 2.123 1225 D HA -0.211 4.441 4.640 0.020 0.000 0.196 1225 D C 2.259 178.516 176.300 -0.072 0.000 0.992 1225 D CA 1.794 55.747 54.000 -0.078 0.000 0.833 1225 D CB -0.128 40.675 40.800 0.004 0.000 0.954 1225 D HN 0.400 nan 8.370 nan 0.000 0.455 1226 L N 0.444 121.571 121.223 -0.161 0.000 2.046 1226 L HA -0.139 4.212 4.340 0.020 0.000 0.208 1226 L C 2.705 179.479 176.870 -0.160 0.000 1.077 1226 L CA 0.686 55.328 54.840 -0.330 0.000 0.747 1226 L CB -0.505 41.061 42.059 -0.821 0.000 0.896 1226 L HN 0.007 nan 8.230 nan 0.000 0.432 1227 L N -1.045 120.192 121.223 0.022 0.000 2.083 1227 L HA -0.227 4.125 4.340 0.020 0.000 0.209 1227 L C 2.541 179.546 176.870 0.226 0.000 1.083 1227 L CA 1.293 56.264 54.840 0.218 0.000 0.752 1227 L CB -0.665 41.496 42.059 0.170 0.000 0.899 1227 L HN 0.322 nan 8.230 nan 0.000 0.433 1228 H N -1.580 117.529 119.070 0.066 0.000 2.357 1228 H HA -0.131 4.437 4.556 0.020 0.000 0.301 1228 H C 2.347 177.699 175.328 0.040 0.000 1.082 1228 H CA 0.988 57.065 56.048 0.048 0.000 1.342 1228 H CB 0.237 30.011 29.762 0.020 0.000 1.389 1228 H HN 0.076 nan 8.280 nan 0.000 0.511 1229 V N 1.008 121.002 119.914 0.133 0.000 2.343 1229 V HA -0.283 3.849 4.120 0.020 0.000 0.247 1229 V C 2.673 178.840 176.094 0.121 0.000 1.051 1229 V CA 1.612 63.950 62.300 0.063 0.000 1.036 1229 V CB -0.814 31.003 31.823 -0.009 0.000 0.654 1229 V HN 0.525 nan 8.190 nan 0.000 0.451 1230 A N 0.036 122.960 122.820 0.173 0.000 1.883 1230 A HA -0.278 4.054 4.320 0.020 0.000 0.217 1230 A C 2.435 180.245 177.584 0.376 0.000 1.186 1230 A CA 2.172 54.391 52.037 0.304 0.000 0.624 1230 A CB -0.617 18.613 19.000 0.382 0.000 0.822 1230 A HN 0.479 nan 8.150 nan 0.000 0.444 1231 R N -0.431 120.233 120.500 0.273 0.000 2.073 1231 R HA -0.184 4.168 4.340 0.020 0.000 0.234 1231 R C 1.504 177.892 176.300 0.146 0.000 1.134 1231 R CA 1.953 58.175 56.100 0.204 0.000 0.952 1231 R CB -0.494 29.910 30.300 0.174 0.000 0.850 1231 R HN 0.450 nan 8.270 nan 0.000 0.433 1232 D N 0.646 121.119 120.400 0.121 0.000 2.116 1232 D HA -0.182 4.470 4.640 0.020 0.000 0.193 1232 D C 1.902 178.249 176.300 0.078 0.000 0.998 1232 D CA 1.218 55.262 54.000 0.074 0.000 0.836 1232 D CB -0.144 40.680 40.800 0.040 0.000 0.951 1232 D HN 0.227 nan 8.370 nan 0.000 0.449 1233 I N 0.919 121.567 120.570 0.130 0.000 2.353 1233 I HA -0.117 4.065 4.170 0.020 0.000 0.248 1233 I C 2.435 178.600 176.117 0.081 0.000 1.119 1233 I CA 0.521 61.901 61.300 0.133 0.000 1.417 1233 I CB -1.379 36.756 38.000 0.224 0.000 1.078 1233 I HN -0.122 nan 8.210 nan 0.000 0.421 1234 A N -0.104 122.793 122.820 0.128 0.000 1.940 1234 A HA -0.277 4.055 4.320 0.020 0.000 0.219 1234 A C 2.652 180.123 177.584 -0.189 0.000 1.176 1234 A CA 1.860 53.770 52.037 -0.212 0.000 0.631 1234 A CB -1.298 17.616 19.000 -0.144 0.000 0.814 1234 A HN 0.526 nan 8.150 nan 0.000 0.446 1235 C N -0.765 118.503 119.300 -0.053 0.000 2.432 1235 C HA 0.027 4.499 4.460 0.020 0.000 0.277 1235 C C 2.990 177.855 174.990 -0.208 0.000 1.249 1235 C CA 1.151 60.153 59.018 -0.027 0.000 1.725 1235 C CB -1.553 26.254 27.740 0.112 0.000 2.028 1235 C HN 0.633 nan 8.230 nan 0.000 0.477 1236 G N -0.739 107.933 108.800 -0.214 0.000 2.440 1236 G HA2 -0.273 3.699 3.960 0.020 0.000 0.218 1236 G HA3 -0.273 3.699 3.960 0.020 0.000 0.218 1236 G C 1.673 176.359 174.900 -0.357 0.000 1.154 1236 G CA 1.415 46.304 45.100 -0.351 0.000 0.767 1236 G HN 0.618 nan 8.290 nan 0.000 0.552 1237 C N -0.225 118.790 119.300 -0.476 0.000 2.440 1237 C HA -0.001 4.471 4.460 0.020 0.000 0.278 1237 C C 2.761 177.336 174.990 -0.692 0.000 1.295 1237 C CA 1.058 59.585 59.018 -0.818 0.000 1.738 1237 C CB -0.786 25.896 27.740 -1.764 0.000 1.987 1237 C HN 0.633 nan 8.230 nan 0.000 0.492 1238 Q N -0.466 119.070 119.800 -0.441 0.000 2.084 1238 Q HA -0.261 4.091 4.340 0.020 0.000 0.202 1238 Q C 2.074 178.024 176.000 -0.083 0.000 0.978 1238 Q CA 1.925 57.663 55.803 -0.107 0.000 0.844 1238 Q CB -0.376 28.357 28.738 -0.008 0.000 0.898 1238 Q HN 0.813 nan 8.270 nan 0.000 0.426 1239 Y N 0.755 120.881 120.300 -0.290 0.000 2.128 1239 Y HA -0.250 4.311 4.550 0.019 0.000 0.284 1239 Y C 1.799 177.632 175.900 -0.111 0.000 1.154 1239 Y CA 1.793 59.744 58.100 -0.248 0.000 1.149 1239 Y CB -0.183 37.935 38.460 -0.571 0.000 0.976 1239 Y HN 0.102 nan 8.280 nan 0.000 0.505 1240 L N 0.273 121.411 121.223 -0.141 0.000 2.017 1240 L HA -0.231 4.121 4.340 0.020 0.000 0.208 1240 L C 2.615 179.509 176.870 0.039 0.000 1.073 1240 L CA 1.986 56.806 54.840 -0.033 0.000 0.745 1240 L CB -0.760 41.353 42.059 0.090 0.000 0.894 1240 L HN 0.344 nan 8.230 nan 0.000 0.432 1241 E N 0.640 120.852 120.200 0.019 0.000 2.058 1241 E HA -0.270 4.092 4.350 0.020 0.000 0.194 1241 E C 1.959 178.500 176.600 -0.098 0.000 0.997 1241 E CA 1.577 58.023 56.400 0.076 0.000 0.801 1241 E CB 0.037 29.862 29.700 0.208 0.000 0.746 1241 E HN 0.512 nan 8.360 nan 0.000 0.450 1242 E N -0.221 119.878 120.200 -0.169 0.000 2.204 1242 E HA -0.126 4.236 4.350 0.020 0.000 0.194 1242 E C 0.948 177.217 176.600 -0.552 0.000 0.989 1242 E CA 0.902 57.133 56.400 -0.282 0.000 0.824 1242 E CB -0.011 29.593 29.700 -0.160 0.000 0.756 1242 E HN 0.285 nan 8.360 nan 0.000 0.477 1243 N N 0.007 118.430 118.700 -0.461 0.000 2.276 1243 N HA 0.018 4.770 4.740 0.020 0.000 0.212 1243 N C -0.964 174.455 175.510 -0.151 0.000 1.127 1243 N CA -0.010 52.794 53.050 -0.410 0.000 0.834 1243 N CB 0.404 38.690 38.487 -0.335 0.000 1.014 1243 N HN 0.132 nan 8.380 nan 0.000 0.491 1244 H N -1.085 118.055 119.070 0.116 0.000 2.770 1244 H HA -0.230 4.338 4.556 0.020 0.000 0.309 1244 H C -0.864 174.631 175.328 0.279 0.000 1.206 1244 H CA 0.617 56.757 56.048 0.154 0.000 1.147 1244 H CB -2.115 27.691 29.762 0.074 0.000 1.422 1244 H HN 0.298 nan 8.280 nan 0.000 0.420 1245 F N 1.773 121.881 119.950 0.264 0.000 2.426 1245 F HA 0.445 4.983 4.527 0.019 0.000 0.348 1245 F C -0.248 175.723 175.800 0.285 0.000 1.124 1245 F CA -1.255 56.952 58.000 0.344 0.000 1.008 1245 F CB 0.680 39.969 39.000 0.481 0.000 1.139 1245 F HN -0.030 nan 8.300 nan 0.000 0.452 1246 I N 6.540 127.115 120.570 0.009 0.000 2.312 1246 I HA 0.081 4.263 4.170 0.020 0.000 0.291 1246 I C 1.423 177.639 176.117 0.166 0.000 1.031 1246 I CA -0.129 61.265 61.300 0.156 0.000 1.293 1246 I CB 0.640 38.714 38.000 0.122 0.000 1.403 1246 I HN 0.764 nan 8.210 nan 0.000 0.484 1247 H N 7.768 127.035 119.070 0.329 0.000 2.357 1247 H HA -0.038 4.529 4.556 0.018 0.000 0.301 1247 H C 0.689 176.129 175.328 0.186 0.000 1.082 1247 H CA 1.835 58.097 56.048 0.358 0.000 1.342 1247 H CB 0.548 30.465 29.762 0.258 0.000 1.389 1247 H HN 0.621 nan 8.280 nan 0.000 0.511 1248 R N -0.886 119.800 120.500 0.310 0.000 3.785 1248 R HA -0.175 4.177 4.340 0.020 0.000 0.476 1248 R C -0.388 176.067 176.300 0.258 0.000 0.905 1248 R CA 1.266 57.502 56.100 0.226 0.000 1.412 1248 R CB -1.437 28.798 30.300 -0.108 0.000 2.077 1248 R HN 0.333 nan 8.270 nan 0.000 0.504 1249 D N 0.063 120.718 120.400 0.425 0.000 3.216 1249 D HA 0.182 4.834 4.640 0.020 0.000 0.348 1249 D C -0.584 175.852 176.300 0.227 0.000 1.407 1249 D CA -0.270 53.884 54.000 0.258 0.000 0.744 1249 D CB 0.328 41.166 40.800 0.064 0.000 1.264 1249 D HN 0.048 nan 8.370 nan 0.000 0.543 1250 I N 1.955 122.645 120.570 0.199 0.000 2.533 1250 I HA 0.519 4.701 4.170 0.020 0.000 0.284 1250 I C 0.616 176.742 176.117 0.015 0.000 1.109 1250 I CA 0.032 61.326 61.300 -0.009 0.000 1.412 1250 I CB 0.175 38.267 38.000 0.152 0.000 1.396 1250 I HN 0.272 nan 8.210 nan 0.000 0.543 1251 A N 4.940 127.697 122.820 -0.105 0.000 2.590 1251 A HA 0.626 4.958 4.320 0.020 0.000 0.294 1251 A C 0.395 177.955 177.584 -0.040 0.000 1.046 1251 A CA -0.004 51.937 52.037 -0.160 0.000 0.684 1251 A CB 0.445 18.927 19.000 -0.863 0.000 1.279 1251 A HN 0.691 nan 8.150 nan 0.000 0.415 1252 A N 1.040 123.926 122.820 0.110 0.000 1.940 1252 A HA -0.152 4.180 4.320 0.020 0.000 0.219 1252 A C 1.948 179.548 177.584 0.026 0.000 1.176 1252 A CA 2.062 54.153 52.037 0.090 0.000 0.631 1252 A CB -0.641 18.460 19.000 0.168 0.000 0.814 1252 A HN 1.184 nan 8.150 nan 0.000 0.446 1253 R N -0.248 120.249 120.500 -0.006 0.000 2.200 1253 R HA -0.082 4.270 4.340 0.020 0.000 0.234 1253 R C 0.979 177.249 176.300 -0.049 0.000 1.127 1253 R CA 1.831 57.916 56.100 -0.025 0.000 0.989 1253 R CB -0.697 29.570 30.300 -0.055 0.000 0.869 1253 R HN 0.633 nan 8.270 nan 0.000 0.459 1254 N N -0.494 118.154 118.700 -0.087 0.000 2.280 1254 N HA 0.126 4.878 4.740 0.020 0.000 0.192 1254 N C -0.672 174.767 175.510 -0.118 0.000 1.109 1254 N CA -0.431 52.557 53.050 -0.102 0.000 0.855 1254 N CB 0.602 39.015 38.487 -0.123 0.000 0.974 1254 N HN 0.125 nan 8.380 nan 0.000 0.482 1255 C N 1.136 120.386 119.300 -0.084 0.000 2.391 1255 C HA 0.600 5.072 4.460 0.020 0.000 0.339 1255 C C 0.044 175.003 174.990 -0.052 0.000 1.205 1255 C CA -0.928 58.045 59.018 -0.075 0.000 1.937 1255 C CB 0.309 28.016 27.740 -0.056 0.000 2.341 1255 C HN 0.228 nan 8.230 nan 0.000 0.516 1256 L N 1.954 123.142 121.223 -0.059 0.000 2.350 1256 L HA 0.708 5.060 4.340 0.020 0.000 0.260 1256 L C -0.864 175.949 176.870 -0.095 0.000 1.015 1256 L CA -0.625 54.180 54.840 -0.059 0.000 0.821 1256 L CB 1.266 43.303 42.059 -0.038 0.000 1.370 1256 L HN 0.444 nan 8.230 nan 0.000 0.416 1257 L N 0.013 121.161 121.223 -0.125 0.000 2.346 1257 L HA 0.377 4.729 4.340 0.020 0.000 0.276 1257 L C 1.147 177.942 176.870 -0.126 0.000 1.006 1257 L CA -0.447 54.280 54.840 -0.189 0.000 0.817 1257 L CB 2.186 44.017 42.059 -0.381 0.000 1.272 1257 L HN 0.811 nan 8.230 nan 0.000 0.421 1258 T N -2.373 112.115 114.554 -0.110 0.000 2.833 1258 T HA -0.076 4.286 4.350 0.020 0.000 0.269 1258 T C 0.591 175.254 174.700 -0.061 0.000 1.054 1258 T CA 0.679 62.736 62.100 -0.072 0.000 1.135 1258 T CB -0.388 68.443 68.868 -0.063 0.000 0.869 1258 T HN 0.721 nan 8.240 nan 0.000 0.466 1259 C N -1.444 117.806 119.300 -0.082 0.000 3.311 1259 C HA 0.668 5.140 4.460 0.020 0.000 0.325 1259 C C -2.323 172.634 174.990 -0.054 0.000 1.352 1259 C CA -1.378 57.612 59.018 -0.046 0.000 1.308 1259 C CB 1.405 29.130 27.740 -0.025 0.000 1.619 1259 C HN 0.026 nan 8.230 nan 0.000 0.469 1260 P HA 0.167 nan 4.420 nan 0.000 0.224 1260 P C 0.871 178.286 177.300 0.193 0.000 1.157 1260 P CA 1.466 64.677 63.100 0.186 0.000 0.799 1260 P CB 0.007 31.836 31.700 0.215 0.000 0.809 1261 G N 1.085 109.939 108.800 0.090 0.000 2.563 1261 G HA2 0.363 4.335 3.960 0.020 0.000 0.283 1261 G HA3 0.363 4.335 3.960 0.020 0.000 0.283 1261 G C -2.543 172.388 174.900 0.052 0.000 1.309 1261 G CA -1.354 43.793 45.100 0.077 0.000 1.022 1261 G HN -0.023 nan 8.290 nan 0.000 0.501 1262 P HA 0.096 nan 4.420 nan 0.000 0.264 1262 P C 0.934 178.247 177.300 0.022 0.000 1.173 1262 P CA 1.914 65.039 63.100 0.041 0.000 0.761 1262 P CB 0.589 32.310 31.700 0.035 0.000 0.794 1263 G N 1.818 110.631 108.800 0.022 0.000 2.179 1263 G HA2 -0.281 3.691 3.960 0.020 0.000 0.260 1263 G HA3 -0.281 3.691 3.960 0.020 0.000 0.260 1263 G C 0.256 175.140 174.900 -0.026 0.000 0.977 1263 G CA 0.183 45.281 45.100 -0.003 0.000 0.641 1263 G HN 0.845 nan 8.290 nan 0.000 0.533 1264 R N -0.281 120.198 120.500 -0.036 0.000 2.640 1264 R HA 0.433 4.785 4.340 0.020 0.000 0.270 1264 R C -0.523 175.728 176.300 -0.083 0.000 1.024 1264 R CA 0.049 56.097 56.100 -0.086 0.000 1.085 1264 R CB 0.823 31.021 30.300 -0.169 0.000 0.963 1264 R HN 0.259 nan 8.270 nan 0.000 0.426 1265 V N 2.178 122.037 119.914 -0.092 0.000 2.448 1265 V HA 0.520 4.652 4.120 0.020 0.000 0.295 1265 V C 0.169 176.208 176.094 -0.092 0.000 1.025 1265 V CA -0.846 61.407 62.300 -0.079 0.000 0.859 1265 V CB 1.487 33.269 31.823 -0.068 0.000 0.988 1265 V HN 0.998 nan 8.190 nan 0.000 0.431 1266 A N 5.339 128.113 122.820 -0.076 0.000 2.327 1266 A HA 0.819 5.151 4.320 0.020 0.000 0.283 1266 A C -0.132 177.426 177.584 -0.044 0.000 1.127 1266 A CA -0.452 51.539 52.037 -0.075 0.000 0.810 1266 A CB 0.583 19.549 19.000 -0.057 0.000 1.066 1266 A HN 0.846 nan 8.150 nan 0.000 0.492 1267 K N 1.652 122.023 120.400 -0.048 0.000 2.502 1267 K HA 0.475 4.807 4.320 0.020 0.000 0.257 1267 K C -1.315 175.252 176.600 -0.055 0.000 0.938 1267 K CA -0.580 55.686 56.287 -0.035 0.000 0.819 1267 K CB 2.240 34.727 32.500 -0.023 0.000 1.333 1267 K HN 0.637 nan 8.250 nan 0.000 0.434 1268 I N 1.420 121.947 120.570 -0.073 0.000 2.533 1268 I HA 0.086 4.268 4.170 0.020 0.000 0.284 1268 I C 1.068 177.139 176.117 -0.076 0.000 1.109 1268 I CA 0.416 61.619 61.300 -0.162 0.000 1.412 1268 I CB 0.726 38.563 38.000 -0.272 0.000 1.396 1268 I HN 0.967 nan 8.210 nan 0.000 0.543 1269 G N 4.646 113.378 108.800 -0.115 0.000 3.342 1269 G HA2 0.042 4.014 3.960 0.020 0.000 0.252 1269 G HA3 0.042 4.014 3.960 0.020 0.000 0.252 1269 G C -0.093 174.818 174.900 0.018 0.000 1.011 1269 G CA -0.030 45.075 45.100 0.008 0.000 0.869 1269 G HN 0.614 nan 8.290 nan 0.000 0.514 1270 D N -0.354 119.959 120.400 -0.145 0.000 2.787 1270 D HA 0.437 5.089 4.640 0.020 0.000 0.246 1270 D C -1.045 175.101 176.300 -0.257 0.000 1.150 1270 D CA -0.581 53.379 54.000 -0.067 0.000 0.864 1270 D CB 1.722 42.499 40.800 -0.039 0.000 1.481 1270 D HN -0.029 nan 8.370 nan 0.000 0.509 1271 F N 1.443 121.440 119.950 0.078 0.000 2.815 1271 F HA 0.266 4.807 4.527 0.022 0.000 0.335 1271 F C 1.799 177.581 175.800 -0.029 0.000 1.179 1271 F CA -0.588 57.419 58.000 0.011 0.000 1.204 1271 F CB 1.323 40.381 39.000 0.096 0.000 1.050 1271 F HN 0.522 nan 8.300 nan 0.000 0.510 1272 G N 0.476 109.326 108.800 0.083 0.000 2.440 1272 G HA2 -0.311 3.660 3.960 0.020 0.000 0.218 1272 G HA3 -0.311 3.660 3.960 0.020 0.000 0.218 1272 G C 1.656 176.573 174.900 0.027 0.000 1.154 1272 G CA 1.140 46.281 45.100 0.068 0.000 0.767 1272 G HN 0.276 nan 8.290 nan 0.000 0.552 1273 M N 1.561 121.128 119.600 -0.055 0.000 2.086 1273 M HA 0.209 4.701 4.480 0.020 0.000 0.261 1273 M C 2.684 178.918 176.300 -0.109 0.000 1.067 1273 M CA 1.736 56.957 55.300 -0.131 0.000 1.116 1273 M CB -0.526 31.940 32.600 -0.224 0.000 1.348 1273 M HN 0.212 nan 8.290 nan 0.000 0.407 1274 A N 0.359 123.130 122.820 -0.082 0.000 1.908 1274 A HA -0.194 4.138 4.320 0.020 0.000 0.218 1274 A C 2.362 179.991 177.584 0.076 0.000 1.181 1274 A CA 1.906 53.934 52.037 -0.015 0.000 0.627 1274 A CB -0.862 18.240 19.000 0.171 0.000 0.818 1274 A HN 0.566 nan 8.150 nan 0.000 0.445 1275 R N 0.221 120.784 120.500 0.105 0.000 2.083 1275 R HA -0.181 4.171 4.340 0.020 0.000 0.237 1275 R C 1.382 177.745 176.300 0.106 0.000 1.137 1275 R CA 2.237 58.392 56.100 0.092 0.000 0.951 1275 R CB -0.860 29.470 30.300 0.051 0.000 0.851 1275 R HN 0.466 nan 8.270 nan 0.000 0.434 1276 D N 0.647 121.087 120.400 0.066 0.000 2.104 1276 D HA -0.162 4.489 4.640 0.020 0.000 0.194 1276 D C 1.936 178.251 176.300 0.026 0.000 0.994 1276 D CA 1.257 55.289 54.000 0.054 0.000 0.830 1276 D CB -0.169 40.694 40.800 0.105 0.000 0.959 1276 D HN 0.222 nan 8.370 nan 0.000 0.452 1277 I N -0.166 120.404 120.570 0.000 0.000 2.315 1277 I HA -0.224 3.957 4.170 0.020 0.000 0.248 1277 I C 2.230 178.362 176.117 0.025 0.000 1.117 1277 I CA 0.769 62.052 61.300 -0.028 0.000 1.404 1277 I CB -1.200 36.725 38.000 -0.124 0.000 1.071 1277 I HN 0.080 nan 8.210 nan 0.000 0.419 1278 Y N 2.430 122.715 120.300 -0.025 0.000 2.165 1278 Y HA -0.218 4.343 4.550 0.019 0.000 0.286 1278 Y C 2.831 178.753 175.900 0.036 0.000 1.155 1278 Y CA 1.806 59.921 58.100 0.025 0.000 1.164 1278 Y CB -0.056 38.454 38.460 0.083 0.000 0.978 1278 Y HN 0.038 nan 8.280 nan 0.000 0.513 1279 R N -0.761 119.833 120.500 0.158 0.000 2.062 1279 R HA 0.039 4.391 4.340 0.020 0.000 0.226 1279 R C 2.259 178.554 176.300 -0.007 0.000 1.125 1279 R CA 1.176 57.327 56.100 0.085 0.000 0.966 1279 R CB -0.473 29.891 30.300 0.106 0.000 0.861 1279 R HN 0.370 nan 8.270 nan 0.000 0.433 1280 A N -0.464 122.337 122.820 -0.031 0.000 2.115 1280 A HA 0.300 4.632 4.320 0.020 0.000 0.211 1280 A C 1.551 179.160 177.584 0.041 0.000 1.169 1280 A CA 0.834 52.832 52.037 -0.065 0.000 0.787 1280 A CB 0.291 19.133 19.000 -0.264 0.000 0.858 1280 A HN 0.432 nan 8.150 nan 0.000 0.474 1281 G N -1.991 106.829 108.800 0.034 0.000 2.205 1281 G HA2 -0.301 3.671 3.960 0.020 0.000 0.261 1281 G HA3 -0.301 3.671 3.960 0.020 0.000 0.261 1281 G C 0.162 175.199 174.900 0.227 0.000 0.980 1281 G CA 1.178 46.340 45.100 0.104 0.000 0.632 1281 G HN 1.837 nan 8.290 nan 0.000 0.533 1282 Y N -4.041 116.263 120.300 0.008 0.000 2.764 1282 Y HA 0.650 5.211 4.550 0.019 0.000 0.331 1282 Y C -0.471 175.498 175.900 0.115 0.000 1.280 1282 Y CA -2.808 55.316 58.100 0.039 0.000 1.065 1282 Y CB 0.187 38.678 38.460 0.052 0.000 1.319 1282 Y HN 0.231 nan 8.280 nan 0.000 0.453 1283 Y N 3.329 123.593 120.300 -0.059 0.000 2.889 1283 Y HA 0.274 4.833 4.550 0.015 0.000 0.367 1283 Y C 1.817 177.556 175.900 -0.267 0.000 1.197 1283 Y CA -0.515 57.502 58.100 -0.139 0.000 1.993 1283 Y CB -0.559 37.902 38.460 0.002 0.000 2.112 1283 Y HN 0.849 nan 8.280 nan 0.000 0.413 1284 R N 0.930 121.044 120.500 -0.643 0.000 2.105 1284 R HA -0.187 4.165 4.340 0.020 0.000 0.239 1284 R C 2.032 178.119 176.300 -0.355 0.000 1.135 1284 R CA 1.857 57.557 56.100 -0.667 0.000 0.967 1284 R CB 0.100 29.943 30.300 -0.762 0.000 0.861 1284 R HN 0.352 nan 8.270 nan 0.000 0.442 1285 K N -0.912 119.268 120.400 -0.366 0.000 2.296 1285 K HA 0.017 4.348 4.320 0.020 0.000 0.200 1285 K C 1.003 177.319 176.600 -0.472 0.000 1.048 1285 K CA 0.854 56.941 56.287 -0.333 0.000 0.966 1285 K CB 0.287 32.642 32.500 -0.243 0.000 0.754 1285 K HN 0.329 nan 8.250 nan 0.000 0.466 1286 G N -0.486 107.774 108.800 -0.900 0.000 3.365 1286 G HA2 0.553 4.525 3.960 0.020 0.000 0.185 1286 G HA3 0.553 4.525 3.960 0.020 0.000 0.185 1286 G C -0.097 174.497 174.900 -0.509 0.000 1.565 1286 G CA 0.070 44.546 45.100 -1.040 0.000 0.984 1286 G HN 0.400 nan 8.290 nan 0.000 0.604 1287 G N -3.135 105.461 108.800 -0.340 0.000 2.324 1287 G HA2 0.267 4.239 3.960 0.020 0.000 0.293 1287 G HA3 0.267 4.239 3.960 0.020 0.000 0.293 1287 G C 0.492 175.453 174.900 0.102 0.000 1.297 1287 G CA 0.251 45.326 45.100 -0.042 0.000 0.853 1287 G HN 0.770 nan 8.290 nan 0.000 0.535 1288 C N 0.549 119.909 119.300 0.100 0.000 2.413 1288 C HA 0.142 4.614 4.460 0.020 0.000 0.276 1288 C C 3.422 178.479 174.990 0.111 0.000 1.248 1288 C CA 2.290 61.378 59.018 0.117 0.000 1.742 1288 C CB -1.368 26.418 27.740 0.076 0.000 2.017 1288 C HN 1.074 nan 8.230 nan 0.000 0.481 1289 A N -0.507 122.360 122.820 0.078 0.000 2.070 1289 A HA -0.076 4.256 4.320 0.020 0.000 0.220 1289 A C 2.056 179.703 177.584 0.106 0.000 1.159 1289 A CA 1.497 53.578 52.037 0.073 0.000 0.656 1289 A CB -0.465 18.561 19.000 0.045 0.000 0.800 1289 A HN 0.674 nan 8.150 nan 0.000 0.453 1290 M N -0.850 118.835 119.600 0.143 0.000 2.465 1290 M HA 0.249 4.741 4.480 0.020 0.000 0.249 1290 M C -0.158 176.332 176.300 0.317 0.000 1.130 1290 M CA 0.045 55.469 55.300 0.207 0.000 1.067 1290 M CB 0.105 32.804 32.600 0.164 0.000 1.394 1290 M HN 0.200 nan 8.290 nan 0.000 0.483 1291 L N 3.062 124.475 121.223 0.316 0.000 2.453 1291 L HA 0.110 4.462 4.340 0.020 0.000 0.272 1291 L C -1.554 175.433 176.870 0.196 0.000 1.182 1291 L CA -1.349 53.635 54.840 0.239 0.000 0.858 1291 L CB 0.238 42.437 42.059 0.233 0.000 1.120 1291 L HN -0.075 nan 8.230 nan 0.000 0.474 1292 P HA 0.040 nan 4.420 nan 0.000 0.220 1292 P C 1.098 178.659 177.300 0.436 0.000 1.806 1292 P CA -0.123 63.160 63.100 0.305 0.000 0.976 1292 P CB 0.371 32.157 31.700 0.144 0.000 1.952 1293 V N 1.946 122.027 119.914 0.279 0.000 2.317 1293 V HA -0.292 3.840 4.120 0.020 0.000 0.251 1293 V C 2.373 178.533 176.094 0.110 0.000 1.065 1293 V CA 2.019 64.397 62.300 0.129 0.000 1.049 1293 V CB -0.913 30.893 31.823 -0.029 0.000 0.651 1293 V HN 0.383 nan 8.190 nan 0.000 0.450 1294 K N -1.568 118.925 120.400 0.155 0.000 2.442 1294 K HA -0.131 4.200 4.320 0.020 0.000 0.198 1294 K C 1.581 178.152 176.600 -0.049 0.000 1.042 1294 K CA 1.042 57.268 56.287 -0.102 0.000 0.958 1294 K CB -0.086 32.214 32.500 -0.333 0.000 0.766 1294 K HN 0.598 nan 8.250 nan 0.000 0.474 1295 W N 0.245 121.712 121.300 0.280 0.000 3.127 1295 W HA 0.266 4.929 4.660 0.005 0.000 0.344 1295 W C 0.061 176.834 176.519 0.425 0.000 1.151 1295 W CA -0.336 57.247 57.345 0.396 0.000 1.765 1295 W CB 0.236 29.886 29.460 0.316 0.000 1.085 1295 W HN -0.029 nan 8.180 nan 0.000 0.596 1296 M N 1.856 121.689 119.600 0.388 0.000 2.336 1296 M HA 0.296 4.788 4.480 0.020 0.000 0.342 1296 M C -2.096 173.904 176.300 -0.499 0.000 1.128 1296 M CA -1.692 53.667 55.300 0.098 0.000 1.016 1296 M CB 1.851 34.585 32.600 0.222 0.000 1.665 1296 M HN -0.444 nan 8.290 nan 0.000 0.445 1297 P HA 0.261 nan 4.420 nan 0.000 0.276 1297 P C -2.532 173.949 177.300 -1.364 0.000 1.252 1297 P CA -1.375 60.672 63.100 -1.755 0.000 0.802 1297 P CB 0.123 31.193 31.700 -1.051 0.000 1.035 1298 P HA -0.204 nan 4.420 nan 0.000 0.215 1298 P C 1.570 178.138 177.300 -1.220 0.000 1.157 1298 P CA 1.809 63.948 63.100 -1.602 0.000 0.874 1298 P CB -0.218 30.966 31.700 -0.860 0.000 0.790 1299 E N -0.041 119.670 120.200 -0.815 0.000 2.268 1299 E HA -0.133 4.229 4.350 0.020 0.000 0.195 1299 E C 1.744 177.994 176.600 -0.583 0.000 0.995 1299 E CA 1.539 57.603 56.400 -0.559 0.000 0.836 1299 E CB -0.974 28.490 29.700 -0.393 0.000 0.763 1299 E HN 0.150 nan 8.360 nan 0.000 0.491 1300 A N 1.655 124.021 122.820 -0.755 0.000 1.855 1300 A HA -0.009 4.323 4.320 0.020 0.000 0.213 1300 A C 2.076 179.395 177.584 -0.441 0.000 1.195 1300 A CA 1.267 52.796 52.037 -0.846 0.000 0.610 1300 A CB -1.031 17.363 19.000 -1.009 0.000 0.837 1300 A HN 0.409 nan 8.150 nan 0.000 0.444 1301 F N -2.091 117.692 119.950 -0.277 0.000 2.325 1301 F HA 0.038 4.582 4.527 0.029 0.000 0.299 1301 F C 1.972 177.716 175.800 -0.094 0.000 1.090 1301 F CA 0.772 58.694 58.000 -0.130 0.000 1.392 1301 F CB -0.387 38.545 39.000 -0.114 0.000 1.053 1301 F HN -0.004 nan 8.300 nan 0.000 0.521 1302 M N 0.466 119.939 119.600 -0.212 0.000 2.299 1302 M HA 0.034 4.526 4.480 0.020 0.000 0.264 1302 M C 1.578 177.835 176.300 -0.071 0.000 1.095 1302 M CA 1.224 56.478 55.300 -0.077 0.000 1.165 1302 M CB -0.762 31.735 32.600 -0.172 0.000 1.349 1302 M HN 0.173 nan 8.290 nan 0.000 0.446 1303 E N -0.543 119.570 120.200 -0.144 0.000 2.489 1303 E HA 0.234 4.596 4.350 0.020 0.000 0.204 1303 E C 0.816 177.391 176.600 -0.042 0.000 1.006 1303 E CA 0.413 56.761 56.400 -0.087 0.000 0.936 1303 E CB 0.499 30.131 29.700 -0.114 0.000 1.002 1303 E HN 0.606 nan 8.360 nan 0.000 0.488 1304 G N 2.457 111.231 108.800 -0.043 0.000 2.249 1304 G HA2 -0.288 3.684 3.960 0.020 0.000 0.273 1304 G HA3 -0.288 3.684 3.960 0.020 0.000 0.273 1304 G C 0.229 175.192 174.900 0.106 0.000 1.036 1304 G CA 0.298 45.464 45.100 0.110 0.000 0.824 1304 G HN 0.246 nan 8.290 nan 0.000 0.504 1305 I N -0.033 120.448 120.570 -0.148 0.000 2.315 1305 I HA 0.547 4.729 4.170 0.020 0.000 0.291 1305 I C -0.137 175.811 176.117 -0.282 0.000 1.006 1305 I CA -0.634 60.608 61.300 -0.096 0.000 1.265 1305 I CB 0.726 38.650 38.000 -0.126 0.000 1.387 1305 I HN -0.016 nan 8.210 nan 0.000 0.475 1306 F N 4.055 124.003 119.950 -0.005 0.000 2.529 1306 F HA 0.591 5.129 4.527 0.017 0.000 0.320 1306 F C 0.457 176.280 175.800 0.038 0.000 1.118 1306 F CA -0.481 57.531 58.000 0.020 0.000 0.915 1306 F CB 2.229 41.248 39.000 0.031 0.000 1.161 1306 F HN 0.415 nan 8.300 nan 0.000 0.445 1307 T N -2.315 112.358 114.554 0.200 0.000 2.754 1307 T HA 0.292 4.654 4.350 0.020 0.000 0.296 1307 T C 0.585 175.409 174.700 0.207 0.000 1.205 1307 T CA -0.619 61.582 62.100 0.167 0.000 1.009 1307 T CB 1.367 70.294 68.868 0.099 0.000 1.368 1307 T HN 0.234 nan 8.240 nan 0.000 0.509 1308 S N 0.119 115.941 115.700 0.202 0.000 2.442 1308 S HA -0.051 4.431 4.470 0.020 0.000 0.236 1308 S C 1.780 176.510 174.600 0.218 0.000 1.007 1308 S CA 0.712 59.065 58.200 0.254 0.000 0.965 1308 S CB -0.354 62.991 63.200 0.242 0.000 0.773 1308 S HN 0.527 nan 8.310 nan 0.000 0.504 1309 K N 1.124 121.606 120.400 0.136 0.000 2.365 1309 K HA 0.017 4.349 4.320 0.020 0.000 0.199 1309 K C 2.235 178.935 176.600 0.165 0.000 1.045 1309 K CA 1.194 57.540 56.287 0.098 0.000 0.962 1309 K CB -0.884 31.649 32.500 0.054 0.000 0.759 1309 K HN 0.649 nan 8.250 nan 0.000 0.469 1310 T N -0.920 113.738 114.554 0.173 0.000 2.942 1310 T HA -0.065 4.297 4.350 0.020 0.000 0.265 1310 T C 1.397 176.318 174.700 0.369 0.000 1.062 1310 T CA 0.869 63.085 62.100 0.192 0.000 1.139 1310 T CB -0.036 68.847 68.868 0.026 0.000 0.883 1310 T HN -0.048 nan 8.240 nan 0.000 0.468 1311 D N 1.435 122.083 120.400 0.412 0.000 2.144 1311 D HA -0.035 4.617 4.640 0.020 0.000 0.200 1311 D C 2.290 178.962 176.300 0.619 0.000 0.978 1311 D CA 1.268 55.595 54.000 0.546 0.000 0.833 1311 D CB -0.679 40.478 40.800 0.594 0.000 0.961 1311 D HN 0.388 nan 8.370 nan 0.000 0.470 1312 T N 0.537 115.292 114.554 0.335 0.000 2.684 1312 T HA -0.187 4.175 4.350 0.020 0.000 0.267 1312 T C 1.599 176.493 174.700 0.323 0.000 1.036 1312 T CA 0.992 63.120 62.100 0.047 0.000 1.148 1312 T CB -0.267 68.486 68.868 -0.192 0.000 0.863 1312 T HN 0.339 nan 8.240 nan 0.000 0.436 1313 W N 2.034 123.476 121.300 0.236 0.000 2.333 1313 W HA -0.170 4.499 4.660 0.016 0.000 0.316 1313 W C 2.320 179.129 176.519 0.484 0.000 1.215 1313 W CA 1.558 59.120 57.345 0.361 0.000 1.278 1313 W CB -0.875 28.751 29.460 0.277 0.000 1.154 1313 W HN 0.240 nan 8.180 nan 0.000 0.486 1314 S N 0.682 116.880 115.700 0.830 0.000 2.370 1314 S HA -0.260 4.222 4.470 0.020 0.000 0.226 1314 S C 1.607 176.591 174.600 0.640 0.000 1.033 1314 S CA 1.747 60.411 58.200 0.774 0.000 1.011 1314 S CB -1.128 62.468 63.200 0.661 0.000 0.852 1314 S HN 0.340 nan 8.310 nan 0.000 0.457 1315 F N 2.472 122.696 119.950 0.456 0.000 2.171 1315 F HA -0.021 4.519 4.527 0.022 0.000 0.300 1315 F C 2.287 178.248 175.800 0.268 0.000 1.090 1315 F CA 1.159 59.386 58.000 0.378 0.000 1.293 1315 F CB -0.833 38.460 39.000 0.488 0.000 1.013 1315 F HN 0.233 nan 8.300 nan 0.000 0.486 1316 G N -0.071 108.885 108.800 0.259 0.000 2.440 1316 G HA2 -0.245 3.727 3.960 0.020 0.000 0.218 1316 G HA3 -0.245 3.727 3.960 0.020 0.000 0.218 1316 G C 1.693 176.740 174.900 0.244 0.000 1.154 1316 G CA 1.306 46.346 45.100 -0.101 0.000 0.767 1316 G HN 0.334 nan 8.290 nan 0.000 0.552 1317 V N 0.843 121.089 119.914 0.553 0.000 2.358 1317 V HA -0.123 4.009 4.120 0.020 0.000 0.246 1317 V C 2.659 178.989 176.094 0.394 0.000 1.047 1317 V CA 1.547 64.122 62.300 0.458 0.000 1.035 1317 V CB -0.550 31.382 31.823 0.181 0.000 0.658 1317 V HN 0.364 nan 8.190 nan 0.000 0.452 1318 L N -0.142 121.284 121.223 0.338 0.000 2.042 1318 L HA -0.176 4.176 4.340 0.020 0.000 0.210 1318 L C 2.211 179.129 176.870 0.081 0.000 1.076 1318 L CA 1.887 56.852 54.840 0.208 0.000 0.749 1318 L CB -0.591 41.465 42.059 -0.005 0.000 0.893 1318 L HN 0.201 nan 8.230 nan 0.000 0.432 1319 L N -2.024 119.155 121.223 -0.073 0.000 2.042 1319 L HA -0.264 4.088 4.340 0.020 0.000 0.210 1319 L C 2.424 179.475 176.870 0.303 0.000 1.076 1319 L CA 1.913 56.784 54.840 0.051 0.000 0.749 1319 L CB -0.685 41.331 42.059 -0.072 0.000 0.893 1319 L HN 0.520 nan 8.230 nan 0.000 0.432 1320 W N 1.204 122.595 121.300 0.152 0.000 2.358 1320 W HA -0.204 4.468 4.660 0.020 0.000 0.303 1320 W C 2.462 179.087 176.519 0.177 0.000 1.208 1320 W CA 1.651 59.115 57.345 0.199 0.000 1.274 1320 W CB 0.054 29.662 29.460 0.247 0.000 1.138 1320 W HN 0.100 nan 8.180 nan 0.000 0.515 1321 E N 0.053 120.562 120.200 0.515 0.000 2.085 1321 E HA -0.270 4.092 4.350 0.020 0.000 0.194 1321 E C 2.055 178.740 176.600 0.143 0.000 0.994 1321 E CA 1.892 58.519 56.400 0.379 0.000 0.801 1321 E CB -0.513 29.434 29.700 0.412 0.000 0.743 1321 E HN 0.389 nan 8.360 nan 0.000 0.453 1322 I N 0.030 120.662 120.570 0.103 0.000 2.142 1322 I HA -0.250 3.932 4.170 0.020 0.000 0.240 1322 I C 1.912 177.885 176.117 -0.239 0.000 1.078 1322 I CA 1.258 62.516 61.300 -0.070 0.000 1.343 1322 I CB -0.171 37.757 38.000 -0.119 0.000 1.046 1322 I HN 0.033 nan 8.210 nan 0.000 0.405 1323 F N 0.475 120.348 119.950 -0.129 0.000 2.615 1323 F HA -0.081 4.457 4.527 0.019 0.000 0.297 1323 F C 2.640 178.244 175.800 -0.327 0.000 1.124 1323 F CA 0.853 58.737 58.000 -0.194 0.000 1.451 1323 F CB -0.302 38.593 39.000 -0.175 0.000 1.103 1323 F HN 0.082 nan 8.300 nan 0.000 0.569 1324 S N -0.061 115.422 115.700 -0.361 0.000 2.603 1324 S HA 0.031 4.513 4.470 0.020 0.000 0.220 1324 S C 0.922 175.449 174.600 -0.121 0.000 0.967 1324 S CA 0.013 57.913 58.200 -0.501 0.000 0.920 1324 S CB -0.671 61.899 63.200 -1.050 0.000 0.773 1324 S HN 0.376 nan 8.310 nan 0.000 0.529 1325 L N 0.266 121.442 121.223 -0.079 0.000 3.608 1325 L HA -0.188 4.164 4.340 0.020 0.000 0.422 1325 L C 1.030 177.943 176.870 0.072 0.000 1.260 1325 L CA 0.138 54.969 54.840 -0.014 0.000 0.889 1325 L CB -2.348 39.698 42.059 -0.021 0.000 1.821 1325 L HN 0.675 nan 8.230 nan 0.000 0.884 1326 G N -2.501 106.366 108.800 0.112 0.000 2.131 1326 G HA2 -0.312 3.660 3.960 0.020 0.000 0.223 1326 G HA3 -0.312 3.660 3.960 0.020 0.000 0.223 1326 G C 0.000 175.009 174.900 0.181 0.000 0.990 1326 G CA 0.024 45.207 45.100 0.139 0.000 0.671 1326 G HN 0.346 nan 8.290 nan 0.000 0.521 1327 Y N -0.502 119.859 120.300 0.101 0.000 2.480 1327 Y HA 0.481 5.044 4.550 0.020 0.000 0.338 1327 Y C 1.119 177.230 175.900 0.352 0.000 1.220 1327 Y CA 0.092 58.318 58.100 0.210 0.000 1.430 1327 Y CB 0.597 39.194 38.460 0.230 0.000 1.311 1327 Y HN 0.316 nan 8.280 nan 0.000 0.575 1328 M N 6.398 126.228 119.600 0.384 0.000 2.238 1328 M HA 0.247 4.739 4.480 0.020 0.000 0.350 1328 M C -2.510 173.926 176.300 0.226 0.000 1.321 1328 M CA -1.471 54.011 55.300 0.303 0.000 1.097 1328 M CB 0.281 33.000 32.600 0.197 0.000 1.713 1328 M HN 0.217 nan 8.290 nan 0.000 0.455 1329 P HA -0.002 nan 4.420 nan 0.000 0.267 1329 P C -1.236 175.816 177.300 -0.413 0.000 1.200 1329 P CA 0.450 63.202 63.100 -0.581 0.000 0.772 1329 P CB -0.068 31.217 31.700 -0.691 0.000 0.855 1330 Y N -0.020 119.867 120.300 -0.687 0.000 3.001 1330 Y HA -0.187 4.373 4.550 0.016 0.000 0.199 1330 Y C -1.183 174.555 175.900 -0.270 0.000 1.320 1330 Y CA -0.359 57.458 58.100 -0.471 0.000 0.974 1330 Y CB -2.559 35.648 38.460 -0.422 0.000 1.291 1330 Y HN 0.493 nan 8.280 nan 0.000 0.465 1331 P HA -0.238 nan 4.420 nan 0.000 0.216 1331 P C 1.425 178.741 177.300 0.027 0.000 1.154 1331 P CA 2.350 65.488 63.100 0.064 0.000 0.865 1331 P CB 0.025 31.842 31.700 0.194 0.000 0.789 1332 S N -2.683 113.005 115.700 -0.020 0.000 2.593 1332 S HA 0.123 4.605 4.470 0.020 0.000 0.217 1332 S C 0.602 175.164 174.600 -0.063 0.000 0.966 1332 S CA -0.009 58.171 58.200 -0.033 0.000 0.914 1332 S CB -0.568 62.603 63.200 -0.047 0.000 0.776 1332 S HN 0.100 nan 8.310 nan 0.000 0.523 1333 K N 1.952 122.306 120.400 -0.076 0.000 2.316 1333 K HA 0.490 4.822 4.320 0.020 0.000 0.251 1333 K C -0.105 176.444 176.600 -0.084 0.000 0.934 1333 K CA -0.523 55.697 56.287 -0.111 0.000 0.802 1333 K CB 1.965 34.346 32.500 -0.197 0.000 1.171 1333 K HN 0.293 nan 8.250 nan 0.000 0.426 1334 S N 1.013 116.663 115.700 -0.084 0.000 2.624 1334 S HA 0.103 4.585 4.470 0.020 0.000 0.263 1334 S C 0.867 175.400 174.600 -0.111 0.000 1.287 1334 S CA -0.413 57.746 58.200 -0.068 0.000 0.990 1334 S CB 0.634 63.803 63.200 -0.052 0.000 0.950 1334 S HN 0.539 nan 8.310 nan 0.000 0.561 1335 N N 0.887 119.535 118.700 -0.086 0.000 2.069 1335 N HA -0.155 4.597 4.740 0.020 0.000 0.191 1335 N C 1.756 177.157 175.510 -0.181 0.000 1.031 1335 N CA 1.778 54.754 53.050 -0.123 0.000 0.852 1335 N CB -0.881 37.572 38.487 -0.056 0.000 1.018 1335 N HN 0.793 nan 8.380 nan 0.000 0.423 1336 Q N 1.219 120.941 119.800 -0.130 0.000 2.119 1336 Q HA -0.051 4.301 4.340 0.020 0.000 0.201 1336 Q C 1.550 177.464 176.000 -0.144 0.000 0.972 1336 Q CA 1.481 57.203 55.803 -0.135 0.000 0.847 1336 Q CB -0.147 28.543 28.738 -0.080 0.000 0.903 1336 Q HN 0.448 nan 8.270 nan 0.000 0.433 1337 E N -1.044 119.080 120.200 -0.127 0.000 2.110 1337 E HA -0.151 4.211 4.350 0.020 0.000 0.193 1337 E C 1.937 178.449 176.600 -0.146 0.000 0.988 1337 E CA 1.383 57.714 56.400 -0.114 0.000 0.804 1337 E CB 0.008 29.639 29.700 -0.115 0.000 0.745 1337 E HN 0.187 nan 8.360 nan 0.000 0.458 1338 V N 1.061 120.816 119.914 -0.264 0.000 2.358 1338 V HA -0.238 3.894 4.120 0.020 0.000 0.246 1338 V C 2.211 178.093 176.094 -0.353 0.000 1.047 1338 V CA 1.159 63.210 62.300 -0.416 0.000 1.035 1338 V CB -0.344 31.053 31.823 -0.709 0.000 0.658 1338 V HN 0.207 nan 8.190 nan 0.000 0.452 1339 L N 0.074 121.035 121.223 -0.436 0.000 2.013 1339 L HA -0.223 4.129 4.340 0.020 0.000 0.212 1339 L C 2.461 179.186 176.870 -0.242 0.000 1.073 1339 L CA 1.992 56.466 54.840 -0.610 0.000 0.753 1339 L CB -0.905 40.801 42.059 -0.589 0.000 0.890 1339 L HN 0.407 nan 8.230 nan 0.000 0.432 1340 E N -1.789 118.342 120.200 -0.116 0.000 2.047 1340 E HA -0.255 4.107 4.350 0.020 0.000 0.191 1340 E C 2.128 178.760 176.600 0.054 0.000 0.987 1340 E CA 1.306 57.700 56.400 -0.009 0.000 0.799 1340 E CB -0.290 29.409 29.700 -0.000 0.000 0.752 1340 E HN 0.437 nan 8.360 nan 0.000 0.449 1341 F N 1.094 120.982 119.950 -0.104 0.000 2.069 1341 F HA -0.261 4.282 4.527 0.026 0.000 0.298 1341 F C 2.148 177.940 175.800 -0.013 0.000 1.113 1341 F CA 1.228 59.189 58.000 -0.065 0.000 1.214 1341 F CB -0.125 38.809 39.000 -0.109 0.000 0.978 1341 F HN -0.189 nan 8.300 nan 0.000 0.474 1342 V N 0.573 120.477 119.914 -0.018 0.000 2.343 1342 V HA -0.323 3.809 4.120 0.020 0.000 0.247 1342 V C 2.606 178.764 176.094 0.107 0.000 1.051 1342 V CA 2.354 64.669 62.300 0.025 0.000 1.036 1342 V CB -1.323 30.593 31.823 0.154 0.000 0.654 1342 V HN 0.666 nan 8.190 nan 0.000 0.451 1343 T N -0.901 113.750 114.554 0.161 0.000 2.833 1343 T HA -0.163 4.199 4.350 0.020 0.000 0.269 1343 T C 1.701 176.447 174.700 0.076 0.000 1.054 1343 T CA 1.608 63.819 62.100 0.185 0.000 1.135 1343 T CB -0.551 68.440 68.868 0.205 0.000 0.869 1343 T HN 0.609 nan 8.240 nan 0.000 0.466 1344 S N 0.284 115.982 115.700 -0.003 0.000 2.631 1344 S HA 0.483 4.965 4.470 0.020 0.000 0.217 1344 S C 1.774 176.310 174.600 -0.107 0.000 0.958 1344 S CA 0.209 58.377 58.200 -0.054 0.000 0.920 1344 S CB -0.443 62.730 63.200 -0.044 0.000 0.776 1344 S HN 1.234 nan 8.310 nan 0.000 0.517 1345 G N 0.239 108.974 108.800 -0.108 0.000 2.179 1345 G HA2 -0.096 3.876 3.960 0.020 0.000 0.220 1345 G HA3 -0.096 3.876 3.960 0.020 0.000 0.220 1345 G C 0.392 175.140 174.900 -0.252 0.000 0.990 1345 G CA -0.387 44.649 45.100 -0.107 0.000 0.646 1345 G HN 1.064 nan 8.290 nan 0.000 0.517 1346 G N 0.217 108.640 108.800 -0.627 0.000 2.398 1346 G HA2 0.511 4.483 3.960 0.020 0.000 0.246 1346 G HA3 0.511 4.483 3.960 0.020 0.000 0.246 1346 G C 0.096 174.496 174.900 -0.834 0.000 1.289 1346 G CA -0.027 44.251 45.100 -1.370 0.000 0.869 1346 G HN 0.398 nan 8.290 nan 0.000 0.543 1347 R N 1.759 122.114 120.500 -0.242 0.000 2.837 1347 R HA 0.337 4.689 4.340 0.020 0.000 0.271 1347 R C 0.099 176.543 176.300 0.239 0.000 0.993 1347 R CA -1.089 55.037 56.100 0.043 0.000 0.931 1347 R CB 1.523 31.878 30.300 0.092 0.000 1.206 1347 R HN 0.553 nan 8.270 nan 0.000 0.474 1348 M N 1.577 121.102 119.600 -0.125 0.000 2.252 1348 M HA 0.015 4.507 4.480 0.020 0.000 0.333 1348 M C 0.046 176.515 176.300 0.281 0.000 1.111 1348 M CA 0.558 55.760 55.300 -0.163 0.000 1.140 1348 M CB 0.296 32.392 32.600 -0.840 0.000 1.538 1348 M HN 0.272 nan 8.290 nan 0.000 0.448 1349 D N 3.233 123.766 120.400 0.222 0.000 2.371 1349 D HA 0.246 4.898 4.640 0.020 0.000 0.242 1349 D C -2.243 174.135 176.300 0.130 0.000 1.218 1349 D CA -1.028 53.069 54.000 0.161 0.000 0.945 1349 D CB -0.048 40.789 40.800 0.062 0.000 1.137 1349 D HN 0.245 nan 8.370 nan 0.000 0.464 1350 P HA 0.153 nan 4.420 nan 0.000 0.269 1350 P C -2.413 174.784 177.300 -0.172 0.000 1.209 1350 P CA -0.745 62.039 63.100 -0.527 0.000 0.776 1350 P CB -0.231 30.982 31.700 -0.812 0.000 0.876 1351 P HA 0.052 nan 4.420 nan 0.000 0.270 1351 P C -0.218 176.910 177.300 -0.286 0.000 1.223 1351 P CA -0.174 62.647 63.100 -0.465 0.000 0.785 1351 P CB 0.338 31.651 31.700 -0.645 0.000 0.923 1352 K N 2.462 122.693 120.400 -0.281 0.000 2.491 1352 K HA -0.100 4.232 4.320 0.020 0.000 0.279 1352 K C 0.201 176.717 176.600 -0.139 0.000 1.026 1352 K CA 0.406 56.580 56.287 -0.187 0.000 1.070 1352 K CB -0.467 31.925 32.500 -0.179 0.000 0.887 1352 K HN 0.370 nan 8.250 nan 0.000 0.481 1353 N N 1.012 119.647 118.700 -0.108 0.000 2.909 1353 N HA -0.227 4.525 4.740 0.020 0.000 0.242 1353 N C -0.506 174.967 175.510 -0.061 0.000 0.975 1353 N CA 1.021 54.027 53.050 -0.073 0.000 0.921 1353 N CB -2.128 36.328 38.487 -0.052 0.000 1.112 1353 N HN 0.597 nan 8.380 nan 0.000 0.581 1354 C N 2.616 121.860 119.300 -0.093 0.000 2.638 1354 C HA 0.249 4.721 4.460 0.020 0.000 0.410 1354 C C -1.582 173.350 174.990 -0.096 0.000 1.404 1354 C CA -1.199 57.767 59.018 -0.087 0.000 1.651 1354 C CB -0.573 27.082 27.740 -0.140 0.000 2.495 1354 C HN 0.199 nan 8.230 nan 0.000 0.606 1355 P HA 0.166 nan 4.420 nan 0.000 0.268 1355 P C 0.864 178.121 177.300 -0.072 0.000 1.204 1355 P CA 0.615 63.668 63.100 -0.078 0.000 0.768 1355 P CB 0.546 32.199 31.700 -0.077 0.000 0.842 1356 G N 4.746 113.525 108.800 -0.035 0.000 2.556 1356 G HA2 -0.235 3.737 3.960 0.020 0.000 0.220 1356 G HA3 -0.235 3.737 3.960 0.020 0.000 0.220 1356 G C -0.980 173.922 174.900 0.003 0.000 1.156 1356 G CA 0.970 46.079 45.100 0.015 0.000 0.766 1356 G HN 0.458 nan 8.290 nan 0.000 0.583 1357 P HA 0.003 nan 4.420 nan 0.000 0.218 1357 P C 2.014 179.253 177.300 -0.101 0.000 1.149 1357 P CA 0.667 63.735 63.100 -0.053 0.000 0.817 1357 P CB -0.008 31.655 31.700 -0.063 0.000 0.785 1358 V N -1.543 118.269 119.914 -0.169 0.000 2.379 1358 V HA -0.228 3.904 4.120 0.020 0.000 0.245 1358 V C 2.260 178.203 176.094 -0.251 0.000 1.044 1358 V CA 1.453 63.563 62.300 -0.316 0.000 1.036 1358 V CB -1.369 30.054 31.823 -0.667 0.000 0.664 1358 V HN 0.073 nan 8.190 nan 0.000 0.453 1359 Y N 1.115 121.248 120.300 -0.279 0.000 2.224 1359 Y HA -0.277 4.284 4.550 0.018 0.000 0.289 1359 Y C 2.778 178.555 175.900 -0.204 0.000 1.146 1359 Y CA 1.952 59.926 58.100 -0.211 0.000 1.182 1359 Y CB -0.018 38.373 38.460 -0.115 0.000 0.983 1359 Y HN 0.081 nan 8.280 nan 0.000 0.524 1360 R N 0.523 120.898 120.500 -0.208 0.000 2.105 1360 R HA -0.176 4.176 4.340 0.020 0.000 0.239 1360 R C 2.055 178.167 176.300 -0.313 0.000 1.135 1360 R CA 2.039 57.983 56.100 -0.262 0.000 0.967 1360 R CB -0.434 29.798 30.300 -0.113 0.000 0.861 1360 R HN 0.484 nan 8.270 nan 0.000 0.442 1361 I N 0.081 120.492 120.570 -0.266 0.000 2.163 1361 I HA -0.356 3.826 4.170 0.020 0.000 0.243 1361 I C 2.319 178.178 176.117 -0.430 0.000 1.085 1361 I CA 1.530 62.680 61.300 -0.250 0.000 1.347 1361 I CB -0.253 37.665 38.000 -0.136 0.000 1.044 1361 I HN 0.266 nan 8.210 nan 0.000 0.408 1362 M N 0.310 119.546 119.600 -0.608 0.000 2.073 1362 M HA -0.223 4.269 4.480 0.020 0.000 0.258 1362 M C 2.548 177.958 176.300 -1.484 0.000 1.070 1362 M CA 2.639 57.249 55.300 -1.150 0.000 1.103 1362 M CB -0.944 30.971 32.600 -1.142 0.000 1.321 1362 M HN 0.450 nan 8.290 nan 0.000 0.405 1363 T N -1.714 112.232 114.554 -1.013 0.000 2.833 1363 T HA -0.165 4.197 4.350 0.020 0.000 0.269 1363 T C 1.643 176.114 174.700 -0.382 0.000 1.054 1363 T CA 1.335 63.081 62.100 -0.591 0.000 1.135 1363 T CB -0.420 68.162 68.868 -0.476 0.000 0.869 1363 T HN 0.477 nan 8.240 nan 0.000 0.466 1364 Q N 0.041 119.616 119.800 -0.376 0.000 2.079 1364 Q HA -0.008 4.344 4.340 0.020 0.000 0.200 1364 Q C 2.670 178.528 176.000 -0.236 0.000 0.974 1364 Q CA 1.654 57.315 55.803 -0.236 0.000 0.840 1364 Q CB -0.540 28.080 28.738 -0.195 0.000 0.898 1364 Q HN 0.598 nan 8.270 nan 0.000 0.430 1365 C N -0.477 118.592 119.300 -0.386 0.000 2.432 1365 C HA -0.106 4.366 4.460 0.020 0.000 0.280 1365 C C 1.184 176.023 174.990 -0.251 0.000 1.353 1365 C CA 0.085 58.913 59.018 -0.317 0.000 1.766 1365 C CB -0.780 26.726 27.740 -0.390 0.000 1.924 1365 C HN 0.619 nan 8.230 nan 0.000 0.509 1366 W N 0.666 121.704 121.300 -0.435 0.000 3.305 1366 W HA 0.298 4.973 4.660 0.025 0.000 0.392 1366 W C 0.489 176.870 176.519 -0.229 0.000 1.121 1366 W CA -0.631 56.228 57.345 -0.809 0.000 1.909 1366 W CB -1.160 27.728 29.460 -0.953 0.000 1.065 1366 W HN 0.352 nan 8.180 nan 0.000 0.714 1367 Q N 0.158 120.042 119.800 0.141 0.000 2.315 1367 Q HA -0.115 4.237 4.340 0.020 0.000 0.289 1367 Q C 1.377 177.582 176.000 0.341 0.000 1.044 1367 Q CA 0.696 56.615 55.803 0.193 0.000 0.920 1367 Q CB 0.849 29.648 28.738 0.102 0.000 1.214 1367 Q HN 0.363 nan 8.270 nan 0.000 0.392 1368 H N 2.241 121.445 119.070 0.224 0.000 2.319 1368 H HA -0.106 4.462 4.556 0.019 0.000 0.299 1368 H C -0.092 175.303 175.328 0.111 0.000 1.092 1368 H CA 1.544 57.710 56.048 0.196 0.000 1.302 1368 H CB 0.662 30.482 29.762 0.097 0.000 1.373 1368 H HN 0.376 nan 8.280 nan 0.000 0.497 1369 Q N 1.379 121.280 119.800 0.167 0.000 2.294 1369 Q HA 0.091 4.443 4.340 0.020 0.000 0.257 1369 Q C -1.723 174.304 176.000 0.044 0.000 0.955 1369 Q CA -2.033 53.813 55.803 0.071 0.000 0.936 1369 Q CB 1.164 29.959 28.738 0.096 0.000 1.188 1369 Q HN 0.397 nan 8.270 nan 0.000 0.420 1370 P HA -0.227 nan 4.420 nan 0.000 0.216 1370 P C 0.927 178.239 177.300 0.021 0.000 1.150 1370 P CA 1.428 64.539 63.100 0.018 0.000 0.843 1370 P CB 0.306 31.996 31.700 -0.018 0.000 0.787 1371 E N 0.083 120.292 120.200 0.014 0.000 2.204 1371 E HA -0.191 4.171 4.350 0.020 0.000 0.195 1371 E C 0.985 177.591 176.600 0.010 0.000 0.990 1371 E CA 1.104 57.510 56.400 0.011 0.000 0.821 1371 E CB -1.086 28.620 29.700 0.010 0.000 0.750 1371 E HN 0.288 nan 8.360 nan 0.000 0.477 1372 D N 0.930 121.343 120.400 0.022 0.000 2.347 1372 D HA 0.035 4.687 4.640 0.020 0.000 0.213 1372 D C 0.393 176.694 176.300 0.003 0.000 0.985 1372 D CA 0.233 54.243 54.000 0.017 0.000 0.879 1372 D CB 0.086 40.907 40.800 0.036 0.000 0.919 1372 D HN 0.148 nan 8.370 nan 0.000 0.526 1373 R N 1.660 122.165 120.500 0.008 0.000 2.490 1373 R HA 0.246 4.597 4.340 0.020 0.000 0.280 1373 R C -2.217 174.041 176.300 -0.070 0.000 1.077 1373 R CA -1.333 54.754 56.100 -0.022 0.000 1.065 1373 R CB 0.336 30.647 30.300 0.018 0.000 1.003 1373 R HN 0.002 nan 8.270 nan 0.000 0.470 1374 P HA -0.011 nan 4.420 nan 0.000 0.275 1374 P C -1.077 176.090 177.300 -0.221 0.000 1.228 1374 P CA -0.430 62.583 63.100 -0.145 0.000 0.786 1374 P CB 0.522 32.127 31.700 -0.158 0.000 0.927 1375 N N 1.079 119.674 118.700 -0.176 0.000 2.294 1375 N HA 0.047 4.799 4.740 0.020 0.000 0.248 1375 N C 0.561 175.892 175.510 -0.299 0.000 1.300 1375 N CA -0.122 52.798 53.050 -0.217 0.000 0.925 1375 N CB -0.504 37.945 38.487 -0.064 0.000 1.188 1375 N HN 0.237 nan 8.380 nan 0.000 0.512 1376 F N -1.473 118.431 119.950 -0.076 0.000 2.325 1376 F HA 0.129 4.667 4.527 0.019 0.000 0.299 1376 F C 2.429 178.162 175.800 -0.112 0.000 1.090 1376 F CA 0.984 58.898 58.000 -0.143 0.000 1.392 1376 F CB -0.356 38.547 39.000 -0.163 0.000 1.053 1376 F HN 0.656 nan 8.300 nan 0.000 0.521 1377 A N 0.622 123.490 122.820 0.080 0.000 1.908 1377 A HA -0.181 4.151 4.320 0.020 0.000 0.218 1377 A C 2.180 179.768 177.584 0.006 0.000 1.181 1377 A CA 1.725 53.786 52.037 0.040 0.000 0.627 1377 A CB -0.988 18.030 19.000 0.029 0.000 0.818 1377 A HN 0.394 nan 8.150 nan 0.000 0.445 1378 I N -0.588 119.965 120.570 -0.028 0.000 2.252 1378 I HA -0.214 3.968 4.170 0.020 0.000 0.245 1378 I C 2.283 178.371 176.117 -0.048 0.000 1.102 1378 I CA 1.066 62.339 61.300 -0.045 0.000 1.385 1378 I CB -0.301 37.660 38.000 -0.066 0.000 1.064 1378 I HN 0.292 nan 8.210 nan 0.000 0.414 1379 I N 0.171 120.691 120.570 -0.084 0.000 2.163 1379 I HA -0.329 3.853 4.170 0.020 0.000 0.243 1379 I C 2.519 178.636 176.117 0.000 0.000 1.085 1379 I CA 1.309 62.564 61.300 -0.075 0.000 1.347 1379 I CB -0.306 37.577 38.000 -0.196 0.000 1.044 1379 I HN 0.217 nan 8.210 nan 0.000 0.408 1380 L N 0.832 122.063 121.223 0.013 0.000 2.012 1380 L HA -0.258 4.094 4.340 0.020 0.000 0.210 1380 L C 2.417 179.323 176.870 0.060 0.000 1.073 1380 L CA 1.948 56.817 54.840 0.048 0.000 0.748 1380 L CB -0.641 41.447 42.059 0.048 0.000 0.891 1380 L HN 0.225 nan 8.230 nan 0.000 0.431 1381 E N -1.054 119.169 120.200 0.037 0.000 2.077 1381 E HA -0.239 4.123 4.350 0.020 0.000 0.193 1381 E C 2.291 178.932 176.600 0.067 0.000 0.989 1381 E CA 1.288 57.710 56.400 0.036 0.000 0.800 1381 E CB -0.100 29.598 29.700 -0.004 0.000 0.746 1381 E HN 0.491 nan 8.360 nan 0.000 0.452 1382 R N 0.259 120.792 120.500 0.056 0.000 2.090 1382 R HA -0.042 4.310 4.340 0.020 0.000 0.228 1382 R C 2.408 178.782 176.300 0.125 0.000 1.110 1382 R CA 0.855 57.009 56.100 0.090 0.000 0.973 1382 R CB -0.197 30.124 30.300 0.036 0.000 0.869 1382 R HN 0.190 nan 8.270 nan 0.000 0.440 1383 I N 0.971 121.610 120.570 0.116 0.000 2.226 1383 I HA -0.251 3.931 4.170 0.020 0.000 0.245 1383 I C 2.022 178.226 176.117 0.145 0.000 1.100 1383 I CA 1.451 62.835 61.300 0.140 0.000 1.374 1383 I CB -0.236 37.875 38.000 0.185 0.000 1.057 1383 I HN 0.217 nan 8.210 nan 0.000 0.413 1384 E N -0.052 120.235 120.200 0.145 0.000 2.110 1384 E HA -0.272 4.090 4.350 0.020 0.000 0.193 1384 E C 2.094 178.800 176.600 0.178 0.000 0.988 1384 E CA 1.391 57.879 56.400 0.147 0.000 0.804 1384 E CB -0.204 29.569 29.700 0.121 0.000 0.745 1384 E HN 0.544 nan 8.360 nan 0.000 0.458 1385 Y N 0.526 120.847 120.300 0.034 0.000 2.181 1385 Y HA -0.300 4.262 4.550 0.020 0.000 0.288 1385 Y C 2.396 178.308 175.900 0.020 0.000 1.146 1385 Y CA 0.990 59.103 58.100 0.022 0.000 1.164 1385 Y CB -0.037 38.428 38.460 0.008 0.000 0.982 1385 Y HN 0.089 nan 8.280 nan 0.000 0.515 1386 C N -0.248 119.063 119.300 0.017 0.000 2.413 1386 C HA -0.201 4.271 4.460 0.020 0.000 0.277 1386 C C 2.563 177.523 174.990 -0.050 0.000 1.265 1386 C CA 1.884 60.862 59.018 -0.067 0.000 1.752 1386 C CB -1.290 26.442 27.740 -0.013 0.000 1.998 1386 C HN 0.600 nan 8.230 nan 0.000 0.489 1387 T N 0.126 114.694 114.554 0.024 0.000 2.962 1387 T HA -0.167 4.195 4.350 0.020 0.000 0.270 1387 T C 1.700 176.405 174.700 0.009 0.000 1.088 1387 T CA 1.139 63.262 62.100 0.040 0.000 1.127 1387 T CB -0.267 68.669 68.868 0.114 0.000 0.883 1387 T HN 0.658 nan 8.240 nan 0.000 0.493 1388 Q N 0.526 120.315 119.800 -0.019 0.000 2.311 1388 Q HA 0.003 4.355 4.340 0.020 0.000 0.203 1388 Q C 0.490 176.431 176.000 -0.099 0.000 0.954 1388 Q CA 0.369 56.150 55.803 -0.036 0.000 0.885 1388 Q CB 0.150 28.885 28.738 -0.004 0.000 0.963 1388 Q HN 0.315 nan 8.270 nan 0.000 0.471 1389 D N 0.389 120.692 120.400 -0.163 0.000 2.339 1389 D HA 0.064 4.715 4.640 0.020 0.000 0.241 1389 D C -1.989 174.254 176.300 -0.094 0.000 1.183 1389 D CA -2.268 51.629 54.000 -0.172 0.000 0.859 1389 D CB 1.491 42.145 40.800 -0.243 0.000 1.067 1389 D HN -0.124 nan 8.370 nan 0.000 0.484 1390 P HA -0.077 nan 4.420 nan 0.000 0.218 1390 P C 0.652 177.926 177.300 -0.043 0.000 1.149 1390 P CA 0.688 63.761 63.100 -0.044 0.000 0.817 1390 P CB 0.410 32.090 31.700 -0.033 0.000 0.785 1391 D N -1.289 119.080 120.400 -0.052 0.000 2.219 1391 D HA -0.078 4.574 4.640 0.020 0.000 0.205 1391 D C 1.922 178.196 176.300 -0.044 0.000 0.970 1391 D CA 0.774 54.748 54.000 -0.044 0.000 0.851 1391 D CB -0.412 40.360 40.800 -0.046 0.000 0.943 1391 D HN -0.003 nan 8.370 nan 0.000 0.488 1392 V N 1.684 121.564 119.914 -0.055 0.000 2.255 1392 V HA -0.173 3.959 4.120 0.020 0.000 0.243 1392 V C 2.504 178.587 176.094 -0.019 0.000 1.038 1392 V CA 1.359 63.633 62.300 -0.044 0.000 1.008 1392 V CB -0.455 31.331 31.823 -0.061 0.000 0.645 1392 V HN 0.259 nan 8.190 nan 0.000 0.449 1393 I N -1.168 119.386 120.570 -0.025 0.000 2.546 1393 I HA -0.099 4.083 4.170 0.020 0.000 0.255 1393 I C 1.645 177.750 176.117 -0.020 0.000 1.163 1393 I CA 1.778 63.066 61.300 -0.020 0.000 1.457 1393 I CB -0.733 37.248 38.000 -0.032 0.000 1.092 1393 I HN 0.272 nan 8.210 nan 0.000 0.434 1394 N N 0.796 119.483 118.700 -0.022 0.000 2.449 1394 N HA 0.033 4.785 4.740 0.020 0.000 0.191 1394 N C -0.220 175.280 175.510 -0.017 0.000 1.161 1394 N CA 0.056 53.094 53.050 -0.020 0.000 0.863 1394 N CB 0.135 38.610 38.487 -0.020 0.000 0.980 1394 N HN 0.319 nan 8.380 nan 0.000 0.458 1395 T N 1.235 115.781 114.554 -0.013 0.000 2.814 1395 T HA 0.309 4.671 4.350 0.020 0.000 0.297 1395 T C 0.387 175.081 174.700 -0.010 0.000 0.956 1395 T CA -0.543 61.550 62.100 -0.012 0.000 1.123 1395 T CB 1.064 69.928 68.868 -0.007 0.000 0.902 1395 T HN 0.127 nan 8.240 nan 0.000 0.528 1396 A N 4.277 127.087 122.820 -0.017 0.000 2.425 1396 A HA 0.504 4.836 4.320 0.020 0.000 0.249 1396 A C 0.320 177.891 177.584 -0.022 0.000 1.084 1396 A CA -0.528 51.497 52.037 -0.020 0.000 0.781 1396 A CB 0.006 18.993 19.000 -0.022 0.000 1.019 1396 A HN 0.871 nan 8.150 nan 0.000 0.490 1397 L N 3.288 124.494 121.223 -0.027 0.000 2.417 1397 L HA 0.308 4.660 4.340 0.020 0.000 0.268 1397 L C -1.726 175.121 176.870 -0.038 0.000 1.158 1397 L CA -1.716 53.103 54.840 -0.035 0.000 0.819 1397 L CB 0.628 42.659 42.059 -0.048 0.000 1.112 1397 L HN 0.518 nan 8.230 nan 0.000 0.458 1398 P HA 0.114 nan 4.420 nan 0.000 0.271 1398 P C -0.835 176.446 177.300 -0.031 0.000 1.216 1398 P CA -0.093 62.984 63.100 -0.039 0.000 0.776 1398 P CB 0.498 32.168 31.700 -0.050 0.000 0.881 1399 I N 1.972 122.527 120.570 -0.025 0.000 2.304 1399 I HA 0.164 4.346 4.170 0.020 0.000 0.291 1399 I C 1.286 177.396 176.117 -0.012 0.000 1.018 1399 I CA -0.477 60.810 61.300 -0.022 0.000 1.260 1399 I CB -0.399 37.588 38.000 -0.022 0.000 1.390 1399 I HN 0.502 nan 8.210 nan 0.000 0.475 1400 E N 0.000 120.196 120.200 -0.007 0.000 2.725 1400 E HA 0.000 4.362 4.350 0.020 0.000 0.291 1400 E CA 0.000 56.407 56.400 0.012 0.000 0.976 1400 E CB 0.000 29.700 29.700 0.000 0.000 0.812 1400 E HN 0.000 nan 8.360 nan 0.000 0.440