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 1mzh_1_B DATA FIRST_RESID 1101 DATA SEQUENCE MIDVRKYIDN AALKPHLSEK EIEEFVLKSE ELGIYAVCVN PYHVKLASSI DATA SEQUENCE AKKVKVCCVI GFPLGLNKTS VKVKEAVEAV RDGAQELDIV WNLSAFKSEK DATA SEQUENCE YDFVVEELKE IFRETPSAVH KVIVETPYLN EEEIKKAVEI CIEAGADFIK DATA SEQUENCE TSTGFAPRGT TLEEVRLIKS SAKGRIKVKA SGGIRDLETA ISMIEAGADR DATA SEQUENCE IGTSSGISIA EEFLKRHLIL E 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 1101 M HA 0.000 nan 4.480 nan 0.000 0.227 1101 M C 0.000 176.368 176.300 0.114 0.000 1.140 1101 M CA 0.000 55.391 55.300 0.151 0.000 0.988 1101 M CB 0.000 32.794 32.600 0.323 0.000 1.302 1102 I N 2.880 123.528 120.570 0.131 0.000 7.154 1102 I HA -0.210 3.961 4.170 0.002 0.000 0.126 1102 I C -0.246 175.889 176.117 0.030 0.000 1.808 1102 I CA 0.692 62.040 61.300 0.080 0.000 2.123 1102 I CB -2.746 35.276 38.000 0.037 0.000 3.552 1102 I HN 0.625 nan 8.210 nan 0.000 0.195 1103 D N 2.159 122.542 120.400 -0.029 0.000 4.554 1103 D HA -0.170 4.472 4.640 0.002 0.000 0.185 1103 D C 1.172 177.268 176.300 -0.340 0.000 1.202 1103 D CA 1.120 54.825 54.000 -0.492 0.000 0.870 1103 D CB 0.311 40.959 40.800 -0.253 0.000 1.028 1103 D HN 0.462 nan 8.370 nan 0.000 0.550 1104 V N 4.236 123.864 119.914 -0.476 0.000 2.759 1104 V HA -0.222 3.899 4.120 0.002 0.000 0.256 1104 V C 2.296 178.338 176.094 -0.086 0.000 1.080 1104 V CA 2.109 64.291 62.300 -0.198 0.000 1.101 1104 V CB -0.104 31.601 31.823 -0.196 0.000 0.698 1104 V HN 0.480 nan 8.190 nan 0.000 0.477 1105 R N 0.151 120.484 120.500 -0.277 0.000 2.127 1105 R HA -0.146 4.195 4.340 0.002 0.000 0.238 1105 R C 2.260 178.547 176.300 -0.021 0.000 1.134 1105 R CA 1.678 57.693 56.100 -0.141 0.000 0.975 1105 R CB -0.354 29.831 30.300 -0.193 0.000 0.865 1105 R HN 0.453 nan 8.270 nan 0.000 0.447 1106 K N -0.617 119.762 120.400 -0.036 0.000 2.439 1106 K HA -0.101 4.221 4.320 0.002 0.000 0.197 1106 K C 0.769 177.211 176.600 -0.262 0.000 1.041 1106 K CA 0.949 57.178 56.287 -0.096 0.000 0.970 1106 K CB 0.181 32.551 32.500 -0.216 0.000 0.773 1106 K HN 0.276 nan 8.250 nan 0.000 0.479 1107 Y N 0.094 120.310 120.300 -0.141 0.000 2.458 1107 Y HA 0.216 4.767 4.550 0.002 0.000 0.254 1107 Y C 0.646 176.491 175.900 -0.091 0.000 1.120 1107 Y CA -0.411 57.600 58.100 -0.149 0.000 1.282 1107 Y CB 0.362 38.752 38.460 -0.116 0.000 1.109 1107 Y HN -0.137 nan 8.280 nan 0.000 0.526 1108 I N 1.624 122.257 120.570 0.105 0.000 2.416 1108 I HA 0.055 4.226 4.170 0.002 0.000 0.288 1108 I C -0.680 175.487 176.117 0.082 0.000 1.051 1108 I CA 0.101 61.444 61.300 0.072 0.000 1.375 1108 I CB 0.615 38.638 38.000 0.037 0.000 1.407 1108 I HN -0.024 nan 8.210 nan 0.000 0.516 1109 D N 5.918 126.348 120.400 0.051 0.000 2.479 1109 D HA 0.149 4.791 4.640 0.002 0.000 0.247 1109 D C -0.003 176.333 176.300 0.059 0.000 1.119 1109 D CA -0.177 53.849 54.000 0.043 0.000 0.922 1109 D CB 0.443 41.238 40.800 -0.008 0.000 1.014 1109 D HN 0.407 nan 8.370 nan 0.000 0.510 1110 N N 1.199 119.949 118.700 0.083 0.000 2.431 1110 N HA 0.300 5.042 4.740 0.002 0.000 0.265 1110 N C -0.606 175.108 175.510 0.340 0.000 1.184 1110 N CA -0.322 52.833 53.050 0.175 0.000 0.943 1110 N CB 0.568 39.085 38.487 0.049 0.000 1.080 1110 N HN 0.270 nan 8.380 nan 0.000 0.477 1111 A N 3.010 125.975 122.820 0.241 0.000 2.301 1111 A HA 0.669 4.991 4.320 0.002 0.000 0.312 1111 A C -0.423 177.049 177.584 -0.187 0.000 1.182 1111 A CA -0.615 51.458 52.037 0.059 0.000 0.826 1111 A CB 1.141 20.137 19.000 -0.007 0.000 1.134 1111 A HN 0.711 nan 8.150 nan 0.000 0.501 1112 A N 2.959 125.483 122.820 -0.493 0.000 2.763 1112 A HA 0.578 4.900 4.320 0.002 0.000 0.325 1112 A C -0.070 177.294 177.584 -0.366 0.000 1.209 1112 A CA -0.278 51.287 52.037 -0.787 0.000 0.764 1112 A CB -0.257 17.778 19.000 -1.608 0.000 1.120 1112 A HN 0.780 nan 8.150 nan 0.000 0.463 1113 L N 0.683 121.789 121.223 -0.194 0.000 2.817 1113 L HA 0.204 4.545 4.340 0.002 0.000 0.248 1113 L C 0.344 177.244 176.870 0.049 0.000 1.133 1113 L CA -0.177 54.639 54.840 -0.040 0.000 0.935 1113 L CB 0.128 42.202 42.059 0.024 0.000 1.266 1113 L HN 0.281 nan 8.230 nan 0.000 0.535 1114 K N 2.205 122.570 120.400 -0.058 0.000 2.412 1114 K HA 0.096 4.417 4.320 0.002 0.000 0.281 1114 K C -1.495 175.029 176.600 -0.128 0.000 1.027 1114 K CA -1.394 54.842 56.287 -0.085 0.000 0.989 1114 K CB 0.539 32.854 32.500 -0.308 0.000 0.935 1114 K HN -0.127 nan 8.250 nan 0.000 0.475 1115 P HA -0.141 nan 4.420 nan 0.000 0.226 1115 P C 0.760 178.080 177.300 0.033 0.000 1.153 1115 P CA 1.214 64.340 63.100 0.044 0.000 0.777 1115 P CB -0.020 31.732 31.700 0.087 0.000 0.794 1116 H N -1.616 117.495 119.070 0.069 0.000 2.551 1116 H HA 0.111 4.669 4.556 0.002 0.000 0.266 1116 H C 0.309 175.664 175.328 0.046 0.000 0.977 1116 H CA -0.425 55.653 56.048 0.051 0.000 1.163 1116 H CB -0.349 29.436 29.762 0.039 0.000 1.381 1116 H HN 0.001 nan 8.280 nan 0.000 0.581 1117 L N 3.871 124.948 121.223 -0.243 0.000 2.418 1117 L HA 0.008 4.350 4.340 0.002 0.000 0.274 1117 L C 0.850 177.714 176.870 -0.010 0.000 1.135 1117 L CA 0.111 54.871 54.840 -0.134 0.000 0.870 1117 L CB 0.889 42.800 42.059 -0.246 0.000 1.154 1117 L HN 0.369 nan 8.230 nan 0.000 0.462 1118 S N 2.322 118.037 115.700 0.025 0.000 2.608 1118 S HA 0.150 4.621 4.470 0.002 0.000 0.261 1118 S C 0.981 175.585 174.600 0.007 0.000 1.314 1118 S CA -0.438 57.795 58.200 0.055 0.000 0.992 1118 S CB 0.526 63.759 63.200 0.056 0.000 0.935 1118 S HN 0.643 nan 8.310 nan 0.000 0.564 1119 E N 0.255 120.492 120.200 0.061 0.000 2.204 1119 E HA -0.117 4.235 4.350 0.002 0.000 0.194 1119 E C 1.930 178.514 176.600 -0.026 0.000 0.989 1119 E CA 0.767 57.174 56.400 0.012 0.000 0.824 1119 E CB -0.082 29.677 29.700 0.098 0.000 0.756 1119 E HN 0.715 nan 8.360 nan 0.000 0.477 1120 K N 1.391 121.792 120.400 0.003 0.000 2.057 1120 K HA -0.190 4.131 4.320 0.002 0.000 0.206 1120 K C 1.660 178.259 176.600 -0.002 0.000 1.050 1120 K CA 1.312 57.601 56.287 0.005 0.000 0.935 1120 K CB 0.113 32.624 32.500 0.018 0.000 0.715 1120 K HN 0.070 nan 8.250 nan 0.000 0.439 1121 E N 0.597 120.792 120.200 -0.009 0.000 2.106 1121 E HA -0.149 4.202 4.350 0.002 0.000 0.192 1121 E C 2.052 178.642 176.600 -0.015 0.000 0.984 1121 E CA 0.881 57.280 56.400 -0.002 0.000 0.806 1121 E CB 0.023 29.719 29.700 -0.006 0.000 0.750 1121 E HN 0.274 nan 8.360 nan 0.000 0.458 1122 I N 1.442 121.942 120.570 -0.117 0.000 2.226 1122 I HA -0.257 3.914 4.170 0.002 0.000 0.245 1122 I C 2.489 178.603 176.117 -0.005 0.000 1.100 1122 I CA 1.452 62.651 61.300 -0.168 0.000 1.374 1122 I CB -0.970 36.757 38.000 -0.454 0.000 1.057 1122 I HN 0.221 nan 8.210 nan 0.000 0.413 1123 E N 1.210 121.397 120.200 -0.022 0.000 2.051 1123 E HA -0.243 4.108 4.350 0.002 0.000 0.192 1123 E C 1.997 178.616 176.600 0.031 0.000 0.991 1123 E CA 1.491 57.894 56.400 0.004 0.000 0.799 1123 E CB 0.050 29.745 29.700 -0.008 0.000 0.748 1123 E HN 0.512 nan 8.360 nan 0.000 0.449 1124 E N -0.269 119.955 120.200 0.041 0.000 2.110 1124 E HA -0.184 4.168 4.350 0.002 0.000 0.193 1124 E C 1.845 178.483 176.600 0.063 0.000 0.988 1124 E CA 1.049 57.474 56.400 0.041 0.000 0.804 1124 E CB -0.252 29.473 29.700 0.043 0.000 0.745 1124 E HN 0.327 nan 8.360 nan 0.000 0.458 1125 F N 1.210 121.130 119.950 -0.051 0.000 2.075 1125 F HA -0.221 4.307 4.527 0.002 0.000 0.297 1125 F C 2.090 177.861 175.800 -0.049 0.000 1.113 1125 F CA 1.183 59.154 58.000 -0.049 0.000 1.218 1125 F CB -0.218 38.742 39.000 -0.066 0.000 0.984 1125 F HN -0.212 nan 8.300 nan 0.000 0.472 1126 V N 0.966 120.937 119.914 0.094 0.000 2.343 1126 V HA -0.302 3.819 4.120 0.002 0.000 0.247 1126 V C 2.501 178.531 176.094 -0.106 0.000 1.051 1126 V CA 1.913 64.196 62.300 -0.028 0.000 1.036 1126 V CB -0.776 31.078 31.823 0.053 0.000 0.654 1126 V HN 0.405 nan 8.190 nan 0.000 0.451 1127 L N -0.633 120.552 121.223 -0.064 0.000 1.994 1127 L HA -0.163 4.178 4.340 0.002 0.000 0.208 1127 L C 2.783 179.596 176.870 -0.095 0.000 1.071 1127 L CA 1.495 56.296 54.840 -0.065 0.000 0.745 1127 L CB -0.629 41.409 42.059 -0.036 0.000 0.892 1127 L HN 0.219 nan 8.230 nan 0.000 0.431 1128 K N -0.029 120.302 120.400 -0.115 0.000 2.063 1128 K HA -0.126 4.195 4.320 0.002 0.000 0.208 1128 K C 2.266 178.760 176.600 -0.177 0.000 1.048 1128 K CA 1.554 57.764 56.287 -0.129 0.000 0.928 1128 K CB -0.360 32.064 32.500 -0.126 0.000 0.713 1128 K HN 0.207 nan 8.250 nan 0.000 0.442 1129 S N 0.958 116.484 115.700 -0.290 0.000 2.382 1129 S HA -0.173 4.298 4.470 0.002 0.000 0.228 1129 S C 1.881 176.376 174.600 -0.174 0.000 1.027 1129 S CA 1.521 59.545 58.200 -0.293 0.000 0.991 1129 S CB -0.147 62.783 63.200 -0.450 0.000 0.823 1129 S HN 0.387 nan 8.310 nan 0.000 0.469 1130 E N 1.655 121.767 120.200 -0.148 0.000 2.051 1130 E HA -0.179 4.173 4.350 0.002 0.000 0.192 1130 E C 1.808 178.362 176.600 -0.077 0.000 0.991 1130 E CA 1.529 57.866 56.400 -0.104 0.000 0.799 1130 E CB -0.241 29.406 29.700 -0.088 0.000 0.748 1130 E HN 0.585 nan 8.360 nan 0.000 0.449 1131 E N -0.201 119.957 120.200 -0.070 0.000 2.153 1131 E HA -0.139 4.213 4.350 0.002 0.000 0.194 1131 E C 1.851 178.432 176.600 -0.032 0.000 0.988 1131 E CA 1.045 57.418 56.400 -0.045 0.000 0.811 1131 E CB -0.107 29.569 29.700 -0.040 0.000 0.746 1131 E HN 0.344 nan 8.360 nan 0.000 0.466 1132 L N -0.387 120.809 121.223 -0.044 0.000 2.591 1132 L HA 0.155 4.496 4.340 0.002 0.000 0.228 1132 L C 1.219 178.083 176.870 -0.011 0.000 1.133 1132 L CA 0.234 55.063 54.840 -0.018 0.000 0.880 1132 L CB -0.026 42.015 42.059 -0.030 0.000 1.033 1132 L HN 0.254 nan 8.230 nan 0.000 0.450 1133 G N 1.143 109.924 108.800 -0.032 0.000 2.176 1133 G HA2 -0.284 3.677 3.960 0.002 0.000 0.252 1133 G HA3 -0.284 3.677 3.960 0.002 0.000 0.252 1133 G C 0.231 175.109 174.900 -0.038 0.000 1.024 1133 G CA -0.185 44.897 45.100 -0.031 0.000 0.755 1133 G HN 0.300 nan 8.290 nan 0.000 0.507 1134 I N -0.260 120.276 120.570 -0.057 0.000 2.634 1134 I HA 0.110 4.281 4.170 0.002 0.000 0.284 1134 I C 1.810 177.909 176.117 -0.031 0.000 1.124 1134 I CA -0.666 60.609 61.300 -0.042 0.000 1.417 1134 I CB 0.512 38.465 38.000 -0.079 0.000 1.396 1134 I HN 0.190 nan 8.210 nan 0.000 0.571 1135 Y N 6.312 126.560 120.300 -0.087 0.000 2.128 1135 Y HA -0.096 4.455 4.550 0.002 0.000 0.284 1135 Y C 0.911 176.763 175.900 -0.081 0.000 1.154 1135 Y CA 1.538 59.585 58.100 -0.089 0.000 1.149 1135 Y CB 0.193 38.592 38.460 -0.101 0.000 0.976 1135 Y HN 0.639 nan 8.280 nan 0.000 0.505 1136 A N -1.062 121.723 122.820 -0.059 0.000 2.610 1136 A HA 0.600 4.921 4.320 0.002 0.000 0.291 1136 A C -1.539 176.028 177.584 -0.028 0.000 1.086 1136 A CA -0.238 51.731 52.037 -0.113 0.000 0.677 1136 A CB 0.728 19.683 19.000 -0.076 0.000 1.278 1136 A HN 0.389 nan 8.150 nan 0.000 0.414 1137 V N -2.255 117.650 119.914 -0.015 0.000 2.628 1137 V HA 0.776 4.897 4.120 0.002 0.000 0.306 1137 V C -0.235 175.898 176.094 0.066 0.000 1.045 1137 V CA -0.841 61.514 62.300 0.092 0.000 0.905 1137 V CB 0.870 32.784 31.823 0.152 0.000 0.997 1137 V HN 1.398 nan 8.190 nan 0.000 0.436 1138 C N 5.788 125.138 119.300 0.084 0.000 2.319 1138 C HA 0.902 5.363 4.460 0.002 0.000 0.323 1138 C C -0.035 174.921 174.990 -0.057 0.000 1.277 1138 C CA 0.328 59.336 59.018 -0.016 0.000 1.517 1138 C CB -0.142 27.568 27.740 -0.050 0.000 2.206 1138 C HN 1.288 nan 8.230 nan 0.000 0.486 1139 V N 3.950 123.825 119.914 -0.065 0.000 3.141 1139 V HA 0.676 4.797 4.120 0.002 0.000 0.312 1139 V C -0.394 175.665 176.094 -0.058 0.000 1.157 1139 V CA -0.896 61.372 62.300 -0.054 0.000 1.041 1139 V CB 1.617 33.455 31.823 0.025 0.000 1.071 1139 V HN 0.840 nan 8.190 nan 0.000 0.441 1140 N N 1.441 120.144 118.700 0.004 0.000 2.467 1140 N HA 0.398 5.140 4.740 0.002 0.000 0.262 1140 N C -2.072 173.439 175.510 0.001 0.000 1.234 1140 N CA -0.890 52.152 53.050 -0.013 0.000 0.952 1140 N CB 0.906 39.406 38.487 0.021 0.000 1.158 1140 N HN 0.501 nan 8.380 nan 0.000 0.463 1141 P HA -0.247 nan 4.420 nan 0.000 0.217 1141 P C 0.883 178.188 177.300 0.009 0.000 1.158 1141 P CA 1.293 64.403 63.100 0.016 0.000 0.887 1141 P CB -0.023 31.697 31.700 0.034 0.000 0.792 1142 Y N -0.795 119.405 120.300 -0.166 0.000 2.256 1142 Y HA -0.258 4.292 4.550 0.002 0.000 0.288 1142 Y C 1.982 177.743 175.900 -0.233 0.000 1.155 1142 Y CA 1.586 59.542 58.100 -0.241 0.000 1.203 1142 Y CB -0.347 37.884 38.460 -0.382 0.000 0.980 1142 Y HN 0.133 nan 8.280 nan 0.000 0.530 1143 H N -1.314 117.694 119.070 -0.103 0.000 2.539 1143 H HA 0.074 4.631 4.556 0.002 0.000 0.269 1143 H C 2.248 177.498 175.328 -0.131 0.000 0.980 1143 H CA 0.775 56.715 56.048 -0.179 0.000 1.152 1143 H CB -0.135 29.580 29.762 -0.079 0.000 1.407 1143 H HN 0.314 nan 8.280 nan 0.000 0.564 1144 V N 1.029 120.935 119.914 -0.013 0.000 2.332 1144 V HA -0.273 3.848 4.120 0.002 0.000 0.248 1144 V C 2.616 178.690 176.094 -0.034 0.000 1.055 1144 V CA 1.957 64.248 62.300 -0.016 0.000 1.038 1144 V CB -0.288 31.524 31.823 -0.018 0.000 0.651 1144 V HN 0.280 nan 8.190 nan 0.000 0.450 1145 K N -0.316 120.046 120.400 -0.063 0.000 2.057 1145 K HA -0.207 4.114 4.320 0.002 0.000 0.207 1145 K C 2.144 178.711 176.600 -0.055 0.000 1.049 1145 K CA 1.670 57.921 56.287 -0.060 0.000 0.931 1145 K CB -0.261 32.193 32.500 -0.077 0.000 0.714 1145 K HN 0.340 nan 8.250 nan 0.000 0.440 1146 L N 0.843 122.026 121.223 -0.066 0.000 2.017 1146 L HA -0.099 4.243 4.340 0.002 0.000 0.208 1146 L C 2.165 179.018 176.870 -0.029 0.000 1.073 1146 L CA 2.176 56.987 54.840 -0.048 0.000 0.745 1146 L CB -0.807 41.222 42.059 -0.048 0.000 0.894 1146 L HN 0.207 nan 8.230 nan 0.000 0.432 1147 A N -0.711 122.099 122.820 -0.016 0.000 1.908 1147 A HA -0.229 4.092 4.320 0.002 0.000 0.218 1147 A C 2.461 180.034 177.584 -0.020 0.000 1.181 1147 A CA 2.273 54.306 52.037 -0.006 0.000 0.627 1147 A CB -1.198 17.809 19.000 0.012 0.000 0.818 1147 A HN 0.692 nan 8.150 nan 0.000 0.445 1148 S N 0.225 115.909 115.700 -0.026 0.000 2.428 1148 S HA -0.131 4.341 4.470 0.002 0.000 0.230 1148 S C 2.007 176.587 174.600 -0.032 0.000 1.014 1148 S CA 1.474 59.655 58.200 -0.033 0.000 0.957 1148 S CB -0.784 62.397 63.200 -0.032 0.000 0.784 1148 S HN 0.934 nan 8.310 nan 0.000 0.499 1149 S N 2.531 118.213 115.700 -0.030 0.000 2.453 1149 S HA 0.048 4.519 4.470 0.002 0.000 0.231 1149 S C 1.835 176.419 174.600 -0.027 0.000 1.005 1149 S CA 0.720 58.904 58.200 -0.028 0.000 0.949 1149 S CB -0.883 62.301 63.200 -0.027 0.000 0.774 1149 S HN 0.849 nan 8.310 nan 0.000 0.510 1150 I N -1.499 119.054 120.570 -0.028 0.000 3.790 1150 I HA 0.507 4.678 4.170 0.002 0.000 0.305 1150 I C 0.998 177.094 176.117 -0.036 0.000 1.253 1150 I CA -0.373 60.910 61.300 -0.028 0.000 1.355 1150 I CB -0.467 37.519 38.000 -0.023 0.000 1.137 1150 I HN 0.234 nan 8.210 nan 0.000 0.435 1151 A N 2.587 125.383 122.820 -0.041 0.000 2.488 1151 A HA 0.266 4.587 4.320 0.002 0.000 0.249 1151 A C 0.816 178.365 177.584 -0.059 0.000 1.083 1151 A CA -0.070 51.934 52.037 -0.056 0.000 0.768 1151 A CB 0.433 19.396 19.000 -0.062 0.000 1.017 1151 A HN 0.245 nan 8.150 nan 0.000 0.496 1152 K N 2.232 122.593 120.400 -0.066 0.000 2.290 1152 K HA 0.133 4.455 4.320 0.002 0.000 0.225 1152 K C 1.337 177.891 176.600 -0.078 0.000 1.060 1152 K CA 1.162 57.412 56.287 -0.062 0.000 0.903 1152 K CB -0.374 32.094 32.500 -0.052 0.000 1.158 1152 K HN 0.703 nan 8.250 nan 0.000 0.460 1153 K N 1.438 121.784 120.400 -0.091 0.000 2.308 1153 K HA 0.090 4.412 4.320 0.002 0.000 0.197 1153 K C 0.742 177.236 176.600 -0.178 0.000 1.049 1153 K CA 0.056 56.275 56.287 -0.115 0.000 0.991 1153 K CB 0.399 32.843 32.500 -0.093 0.000 0.836 1153 K HN 0.056 nan 8.250 nan 0.000 0.500 1154 V N 1.625 121.436 119.914 -0.172 0.000 2.655 1154 V HA 0.101 4.222 4.120 0.002 0.000 0.300 1154 V C -0.064 175.885 176.094 -0.241 0.000 1.044 1154 V CA -0.770 61.394 62.300 -0.228 0.000 1.095 1154 V CB 0.430 32.153 31.823 -0.165 0.000 0.952 1154 V HN -0.007 nan 8.190 nan 0.000 0.485 1155 K N 3.782 123.969 120.400 -0.356 0.000 2.185 1155 K HA 0.490 4.812 4.320 0.002 0.000 0.271 1155 K C -0.502 176.001 176.600 -0.160 0.000 1.013 1155 K CA -0.486 55.635 56.287 -0.276 0.000 0.943 1155 K CB 1.756 34.033 32.500 -0.372 0.000 0.998 1155 K HN 0.661 nan 8.250 nan 0.000 0.468 1156 V N 2.403 122.253 119.914 -0.106 0.000 2.383 1156 V HA 0.120 4.241 4.120 0.002 0.000 0.275 1156 V C 0.148 176.211 176.094 -0.053 0.000 1.036 1156 V CA -0.851 61.411 62.300 -0.063 0.000 0.889 1156 V CB 1.227 33.022 31.823 -0.047 0.000 0.985 1156 V HN 0.825 nan 8.190 nan 0.000 0.459 1157 C N 6.505 125.780 119.300 -0.042 0.000 2.382 1157 C HA 0.776 5.237 4.460 0.002 0.000 0.327 1157 C C 0.047 175.011 174.990 -0.042 0.000 1.250 1157 C CA -0.607 58.385 59.018 -0.044 0.000 1.707 1157 C CB 0.362 28.072 27.740 -0.050 0.000 2.272 1157 C HN 1.043 nan 8.230 nan 0.000 0.506 1158 C N 6.812 126.090 119.300 -0.036 0.000 2.408 1158 C HA 0.763 5.224 4.460 0.002 0.000 0.321 1158 C C -0.058 174.906 174.990 -0.043 0.000 1.245 1158 C CA -0.468 58.528 59.018 -0.038 0.000 1.523 1158 C CB 0.502 28.236 27.740 -0.009 0.000 2.178 1158 C HN 0.982 nan 8.230 nan 0.000 0.488 1159 V N 6.286 126.136 119.914 -0.107 0.000 2.530 1159 V HA 0.591 4.712 4.120 0.002 0.000 0.282 1159 V C -0.293 175.824 176.094 0.039 0.000 1.048 1159 V CA -0.089 62.144 62.300 -0.112 0.000 0.997 1159 V CB 0.766 32.269 31.823 -0.534 0.000 0.987 1159 V HN 0.642 nan 8.190 nan 0.000 0.477 1160 I N 4.662 125.309 120.570 0.129 0.000 2.433 1160 I HA 0.626 4.797 4.170 0.002 0.000 0.292 1160 I C 1.144 177.372 176.117 0.185 0.000 1.001 1160 I CA 0.298 61.684 61.300 0.144 0.000 1.119 1160 I CB 0.603 38.685 38.000 0.136 0.000 1.289 1160 I HN 1.050 nan 8.210 nan 0.000 0.438 1161 G N 4.999 113.890 108.800 0.152 0.000 2.249 1161 G HA2 -0.313 3.649 3.960 0.002 0.000 0.273 1161 G HA3 -0.313 3.649 3.960 0.002 0.000 0.273 1161 G C -0.134 174.855 174.900 0.150 0.000 1.036 1161 G CA 0.073 45.251 45.100 0.130 0.000 0.824 1161 G HN 0.538 nan 8.290 nan 0.000 0.504 1162 F N 1.199 121.151 119.950 0.003 0.000 2.385 1162 F HA 0.619 5.147 4.527 0.002 0.000 0.336 1162 F C -0.412 175.312 175.800 -0.128 0.000 1.100 1162 F CA -1.661 56.318 58.000 -0.035 0.000 1.116 1162 F CB 1.582 40.575 39.000 -0.011 0.000 1.166 1162 F HN -0.033 nan 8.300 nan 0.000 0.511 1163 P HA 0.125 nan 4.420 nan 0.000 0.272 1163 P C 1.029 178.025 177.300 -0.507 0.000 1.276 1163 P CA 0.471 62.796 63.100 -1.293 0.000 0.871 1163 P CB 0.532 31.118 31.700 -1.855 0.000 1.313 1164 L N -0.626 120.426 121.223 -0.285 0.000 2.270 1164 L HA 0.169 4.511 4.340 0.002 0.000 0.210 1164 L C 1.749 178.612 176.870 -0.012 0.000 1.104 1164 L CA 1.042 55.812 54.840 -0.116 0.000 0.804 1164 L CB -1.195 40.803 42.059 -0.101 0.000 0.937 1164 L HN 0.091 nan 8.230 nan 0.000 0.450 1165 G N 0.728 109.538 108.800 0.015 0.000 2.168 1165 G HA2 -0.295 3.667 3.960 0.002 0.000 0.257 1165 G HA3 -0.295 3.667 3.960 0.002 0.000 0.257 1165 G C 0.609 175.555 174.900 0.077 0.000 0.997 1165 G CA 0.324 45.479 45.100 0.091 0.000 0.708 1165 G HN 0.359 nan 8.290 nan 0.000 0.520 1166 L N 0.230 121.474 121.223 0.036 0.000 2.791 1166 L HA 0.245 4.586 4.340 0.002 0.000 0.239 1166 L C 0.875 177.763 176.870 0.030 0.000 1.203 1166 L CA -0.486 54.370 54.840 0.027 0.000 1.002 1166 L CB -0.338 41.717 42.059 -0.005 0.000 1.295 1166 L HN 0.208 nan 8.230 nan 0.000 0.504 1167 N N 0.874 119.600 118.700 0.044 0.000 2.445 1167 N HA 0.203 4.944 4.740 0.002 0.000 0.264 1167 N C -0.041 175.505 175.510 0.060 0.000 1.227 1167 N CA -0.496 52.579 53.050 0.041 0.000 0.963 1167 N CB 1.050 39.562 38.487 0.042 0.000 1.188 1167 N HN -0.020 nan 8.380 nan 0.000 0.491 1168 K N 0.888 121.320 120.400 0.052 0.000 2.258 1168 K HA 0.071 4.393 4.320 0.002 0.000 0.264 1168 K C 1.217 177.852 176.600 0.059 0.000 1.007 1168 K CA 0.016 56.344 56.287 0.069 0.000 0.941 1168 K CB 0.335 32.865 32.500 0.050 0.000 0.966 1168 K HN 0.490 nan 8.250 nan 0.000 0.480 1169 T N 1.184 115.774 114.554 0.060 0.000 2.665 1169 T HA -0.158 4.194 4.350 0.002 0.000 0.268 1169 T C 1.938 176.636 174.700 -0.003 0.000 1.035 1169 T CA 1.891 63.987 62.100 -0.006 0.000 1.151 1169 T CB -0.041 68.782 68.868 -0.074 0.000 0.862 1169 T HN 0.516 nan 8.240 nan 0.000 0.438 1170 S N 0.790 116.496 115.700 0.011 0.000 2.374 1170 S HA -0.152 4.319 4.470 0.002 0.000 0.227 1170 S C 2.439 177.048 174.600 0.016 0.000 1.037 1170 S CA 1.581 59.787 58.200 0.010 0.000 1.024 1170 S CB -0.584 62.625 63.200 0.015 0.000 0.861 1170 S HN 0.593 nan 8.310 nan 0.000 0.456 1171 V N -0.056 119.872 119.914 0.023 0.000 2.453 1171 V HA -0.001 4.120 4.120 0.002 0.000 0.247 1171 V C 1.841 177.954 176.094 0.032 0.000 1.048 1171 V CA 1.340 63.656 62.300 0.026 0.000 1.049 1171 V CB -0.680 31.159 31.823 0.026 0.000 0.672 1171 V HN 0.303 nan 8.190 nan 0.000 0.457 1172 K N 0.459 120.879 120.400 0.034 0.000 2.097 1172 K HA -0.050 4.272 4.320 0.002 0.000 0.206 1172 K C 2.215 178.839 176.600 0.041 0.000 1.049 1172 K CA 1.617 57.930 56.287 0.044 0.000 0.933 1172 K CB -0.460 32.064 32.500 0.041 0.000 0.717 1172 K HN 0.470 nan 8.250 nan 0.000 0.442 1173 V N 1.881 121.809 119.914 0.023 0.000 2.261 1173 V HA -0.280 3.841 4.120 0.002 0.000 0.246 1173 V C 2.394 178.509 176.094 0.035 0.000 1.047 1173 V CA 1.777 64.091 62.300 0.023 0.000 1.015 1173 V CB -0.394 31.432 31.823 0.005 0.000 0.642 1173 V HN 0.336 nan 8.190 nan 0.000 0.446 1174 K N -0.035 120.382 120.400 0.029 0.000 2.063 1174 K HA -0.285 4.037 4.320 0.002 0.000 0.208 1174 K C 2.222 178.845 176.600 0.037 0.000 1.048 1174 K CA 2.190 58.495 56.287 0.030 0.000 0.928 1174 K CB -0.165 32.349 32.500 0.025 0.000 0.713 1174 K HN 0.580 nan 8.250 nan 0.000 0.442 1175 E N -0.167 120.058 120.200 0.042 0.000 2.058 1175 E HA -0.215 4.137 4.350 0.002 0.000 0.194 1175 E C 1.769 178.402 176.600 0.055 0.000 0.997 1175 E CA 1.281 57.710 56.400 0.048 0.000 0.801 1175 E CB -0.165 29.567 29.700 0.054 0.000 0.746 1175 E HN 0.432 nan 8.360 nan 0.000 0.450 1176 A N 0.342 123.203 122.820 0.068 0.000 1.877 1176 A HA -0.156 4.165 4.320 0.002 0.000 0.216 1176 A C 2.445 180.074 177.584 0.075 0.000 1.186 1176 A CA 1.596 53.686 52.037 0.088 0.000 0.620 1176 A CB -0.813 18.257 19.000 0.117 0.000 0.822 1176 A HN 0.235 nan 8.150 nan 0.000 0.443 1177 V N 0.417 120.369 119.914 0.063 0.000 2.287 1177 V HA -0.248 3.873 4.120 0.002 0.000 0.248 1177 V C 2.563 178.680 176.094 0.040 0.000 1.053 1177 V CA 2.210 64.542 62.300 0.052 0.000 1.027 1177 V CB -0.765 31.084 31.823 0.042 0.000 0.646 1177 V HN 0.555 nan 8.190 nan 0.000 0.447 1178 E N 0.140 120.362 120.200 0.035 0.000 2.118 1178 E HA -0.218 4.133 4.350 0.002 0.000 0.195 1178 E C 2.340 178.954 176.600 0.023 0.000 0.992 1178 E CA 1.488 57.904 56.400 0.027 0.000 0.804 1178 E CB -0.383 29.334 29.700 0.028 0.000 0.741 1178 E HN 0.600 nan 8.360 nan 0.000 0.458 1179 A N 1.110 123.948 122.820 0.030 0.000 1.877 1179 A HA -0.140 4.182 4.320 0.002 0.000 0.216 1179 A C 2.629 180.223 177.584 0.016 0.000 1.186 1179 A CA 1.437 53.487 52.037 0.022 0.000 0.620 1179 A CB -0.744 18.276 19.000 0.032 0.000 0.822 1179 A HN 0.125 nan 8.150 nan 0.000 0.443 1180 V N 0.091 120.020 119.914 0.026 0.000 2.287 1180 V HA -0.297 3.825 4.120 0.002 0.000 0.248 1180 V C 2.629 178.728 176.094 0.009 0.000 1.053 1180 V CA 2.349 64.659 62.300 0.018 0.000 1.027 1180 V CB -0.855 30.988 31.823 0.033 0.000 0.646 1180 V HN 0.527 nan 8.190 nan 0.000 0.447 1181 R N -0.079 120.428 120.500 0.012 0.000 2.120 1181 R HA -0.144 4.198 4.340 0.002 0.000 0.234 1181 R C 1.775 178.075 176.300 -0.002 0.000 1.123 1181 R CA 1.486 57.590 56.100 0.006 0.000 0.975 1181 R CB -0.315 29.991 30.300 0.010 0.000 0.866 1181 R HN 0.512 nan 8.270 nan 0.000 0.446 1182 D N -1.315 119.083 120.400 -0.004 0.000 2.355 1182 D HA 0.047 4.688 4.640 0.002 0.000 0.218 1182 D C 1.047 177.336 176.300 -0.018 0.000 1.004 1182 D CA 1.035 55.027 54.000 -0.014 0.000 0.880 1182 D CB 0.744 41.534 40.800 -0.018 0.000 0.911 1182 D HN 0.468 nan 8.370 nan 0.000 0.528 1183 G N -0.291 108.500 108.800 -0.015 0.000 2.183 1183 G HA2 -0.096 3.865 3.960 0.002 0.000 0.168 1183 G HA3 -0.096 3.865 3.960 0.002 0.000 0.168 1183 G C 0.420 175.305 174.900 -0.025 0.000 1.008 1183 G CA -0.068 45.019 45.100 -0.022 0.000 0.677 1183 G HN 0.500 nan 8.290 nan 0.000 0.498 1184 A N 0.126 122.935 122.820 -0.019 0.000 2.492 1184 A HA 0.630 4.951 4.320 0.002 0.000 0.254 1184 A C 1.091 178.656 177.584 -0.032 0.000 1.091 1184 A CA 1.033 53.056 52.037 -0.023 0.000 0.768 1184 A CB 0.318 19.313 19.000 -0.009 0.000 1.028 1184 A HN 0.489 nan 8.150 nan 0.000 0.498 1185 Q N 0.777 120.548 119.800 -0.047 0.000 2.391 1185 Q HA 0.095 4.437 4.340 0.002 0.000 0.211 1185 Q C -0.259 175.697 176.000 -0.072 0.000 0.908 1185 Q CA 0.719 56.487 55.803 -0.058 0.000 0.920 1185 Q CB 0.522 29.220 28.738 -0.067 0.000 1.056 1185 Q HN 0.872 nan 8.270 nan 0.000 0.523 1186 E N 0.410 120.571 120.200 -0.065 0.000 2.340 1186 E HA 0.513 4.864 4.350 0.002 0.000 0.273 1186 E C -1.367 175.205 176.600 -0.047 0.000 0.891 1186 E CA -0.512 55.841 56.400 -0.078 0.000 0.757 1186 E CB 2.411 32.070 29.700 -0.068 0.000 1.231 1186 E HN -0.015 nan 8.360 nan 0.000 0.439 1187 L N 1.916 123.122 121.223 -0.028 0.000 2.406 1187 L HA 0.410 4.751 4.340 0.002 0.000 0.272 1187 L C -1.169 175.742 176.870 0.069 0.000 0.980 1187 L CA -0.927 53.942 54.840 0.047 0.000 0.831 1187 L CB 1.786 43.930 42.059 0.142 0.000 1.253 1187 L HN 0.388 nan 8.230 nan 0.000 0.406 1188 D N 4.352 124.783 120.400 0.053 0.000 2.443 1188 D HA 0.463 5.104 4.640 0.002 0.000 0.221 1188 D C -0.314 176.071 176.300 0.143 0.000 1.097 1188 D CA 0.083 54.125 54.000 0.071 0.000 0.865 1188 D CB 1.197 42.006 40.800 0.016 0.000 1.034 1188 D HN 0.234 nan 8.370 nan 0.000 0.511 1189 I N 1.972 122.657 120.570 0.191 0.000 2.321 1189 I HA 0.200 4.372 4.170 0.002 0.000 0.291 1189 I C 0.016 176.256 176.117 0.205 0.000 0.998 1189 I CA -1.011 60.421 61.300 0.221 0.000 1.227 1189 I CB 1.540 39.710 38.000 0.283 0.000 1.368 1189 I HN -0.049 nan 8.210 nan 0.000 0.466 1190 V N 6.163 126.208 119.914 0.219 0.000 2.455 1190 V HA 0.096 4.217 4.120 0.002 0.000 0.273 1190 V C 0.009 176.285 176.094 0.303 0.000 1.045 1190 V CA -0.551 61.879 62.300 0.218 0.000 0.976 1190 V CB 0.130 32.063 31.823 0.184 0.000 0.993 1190 V HN 0.724 nan 8.190 nan 0.000 0.475 1191 W N 4.663 126.007 121.300 0.073 0.000 1.992 1191 W HA 0.266 4.928 4.660 0.002 0.000 0.360 1191 W C 0.216 176.782 176.519 0.077 0.000 1.369 1191 W CA -1.637 55.744 57.345 0.061 0.000 1.403 1191 W CB -0.273 29.219 29.460 0.054 0.000 1.215 1191 W HN 0.494 nan 8.180 nan 0.000 0.643 1192 N N 2.249 121.029 118.700 0.133 0.000 2.482 1192 N HA 0.017 4.758 4.740 0.002 0.000 0.242 1192 N C 0.629 175.984 175.510 -0.258 0.000 1.100 1192 N CA -0.236 52.829 53.050 0.024 0.000 0.946 1192 N CB 0.448 39.041 38.487 0.177 0.000 1.227 1192 N HN 0.552 nan 8.380 nan 0.000 0.508 1193 L N 3.446 124.549 121.223 -0.200 0.000 2.201 1193 L HA -0.038 4.303 4.340 0.002 0.000 0.212 1193 L C 2.167 178.991 176.870 -0.077 0.000 1.105 1193 L CA 1.451 56.167 54.840 -0.206 0.000 0.775 1193 L CB -0.741 41.373 42.059 0.093 0.000 0.913 1193 L HN 0.535 nan 8.230 nan 0.000 0.440 1194 S N -0.769 114.887 115.700 -0.074 0.000 2.348 1194 S HA -0.159 4.312 4.470 0.002 0.000 0.221 1194 S C 2.199 176.720 174.600 -0.132 0.000 1.033 1194 S CA 1.201 59.348 58.200 -0.089 0.000 1.010 1194 S CB -0.412 62.730 63.200 -0.095 0.000 0.891 1194 S HN 0.621 nan 8.310 nan 0.000 0.442 1195 A N 0.605 123.337 122.820 -0.146 0.000 1.940 1195 A HA -0.039 4.282 4.320 0.002 0.000 0.219 1195 A C 1.996 179.453 177.584 -0.212 0.000 1.176 1195 A CA 1.743 53.663 52.037 -0.196 0.000 0.631 1195 A CB -1.094 17.857 19.000 -0.082 0.000 0.814 1195 A HN 0.700 nan 8.150 nan 0.000 0.446 1196 F N 0.759 120.495 119.950 -0.356 0.000 2.075 1196 F HA -0.154 4.374 4.527 0.002 0.000 0.297 1196 F C 2.105 177.747 175.800 -0.264 0.000 1.113 1196 F CA 2.134 59.902 58.000 -0.387 0.000 1.218 1196 F CB -0.068 38.526 39.000 -0.678 0.000 0.984 1196 F HN 0.004 nan 8.300 nan 0.000 0.472 1197 K N 0.165 120.504 120.400 -0.100 0.000 2.281 1197 K HA -0.067 4.254 4.320 0.002 0.000 0.203 1197 K C 1.859 178.309 176.600 -0.249 0.000 1.046 1197 K CA 1.232 57.440 56.287 -0.132 0.000 0.938 1197 K CB -0.653 31.846 32.500 -0.002 0.000 0.737 1197 K HN 0.248 nan 8.250 nan 0.000 0.458 1198 S N 0.682 116.209 115.700 -0.288 0.000 2.605 1198 S HA 0.031 4.503 4.470 0.002 0.000 0.217 1198 S C -0.220 174.138 174.600 -0.402 0.000 0.958 1198 S CA -0.045 57.982 58.200 -0.287 0.000 0.919 1198 S CB 0.124 63.173 63.200 -0.251 0.000 0.780 1198 S HN 0.217 nan 8.310 nan 0.000 0.507 1199 E N 0.599 120.416 120.200 -0.638 0.000 2.971 1199 E HA -0.182 4.170 4.350 0.002 0.000 0.278 1199 E C -0.278 175.739 176.600 -0.972 0.000 1.009 1199 E CA 0.665 56.444 56.400 -1.034 0.000 0.862 1199 E CB -1.627 27.727 29.700 -0.578 0.000 1.436 1199 E HN 0.438 nan 8.360 nan 0.000 0.434 1200 K N 0.535 120.544 120.400 -0.652 0.000 2.518 1200 K HA 0.124 4.445 4.320 0.002 0.000 0.244 1200 K C 0.270 176.757 176.600 -0.188 0.000 1.232 1200 K CA -0.259 55.827 56.287 -0.334 0.000 1.189 1200 K CB 0.017 32.377 32.500 -0.234 0.000 1.737 1200 K HN 0.159 nan 8.250 nan 0.000 0.333 1201 Y N 0.626 120.917 120.300 -0.016 0.000 2.181 1201 Y HA -0.248 4.303 4.550 0.002 0.000 0.288 1201 Y C 1.743 177.684 175.900 0.069 0.000 1.146 1201 Y CA 1.075 59.194 58.100 0.032 0.000 1.164 1201 Y CB -0.214 38.258 38.460 0.019 0.000 0.982 1201 Y HN 0.375 nan 8.280 nan 0.000 0.515 1202 D N -0.528 119.991 120.400 0.199 0.000 2.117 1202 D HA -0.203 4.438 4.640 0.002 0.000 0.197 1202 D C 2.088 178.452 176.300 0.108 0.000 0.987 1202 D CA 1.197 55.275 54.000 0.131 0.000 0.829 1202 D CB -0.830 40.028 40.800 0.098 0.000 0.961 1202 D HN 0.314 nan 8.370 nan 0.000 0.460 1203 F N 1.598 121.540 119.950 -0.013 0.000 2.095 1203 F HA -0.248 4.280 4.527 0.002 0.000 0.298 1203 F C 2.222 178.009 175.800 -0.021 0.000 1.104 1203 F CA 1.191 59.171 58.000 -0.033 0.000 1.232 1203 F CB -0.324 38.636 39.000 -0.066 0.000 0.987 1203 F HN -0.211 nan 8.300 nan 0.000 0.475 1204 V N -0.191 119.801 119.914 0.130 0.000 2.287 1204 V HA -0.316 3.806 4.120 0.002 0.000 0.248 1204 V C 2.376 178.468 176.094 -0.004 0.000 1.053 1204 V CA 1.764 64.098 62.300 0.056 0.000 1.027 1204 V CB -0.839 31.062 31.823 0.131 0.000 0.646 1204 V HN 0.322 nan 8.190 nan 0.000 0.447 1205 V N -0.439 119.501 119.914 0.044 0.000 2.358 1205 V HA -0.173 3.949 4.120 0.002 0.000 0.246 1205 V C 2.593 178.620 176.094 -0.112 0.000 1.047 1205 V CA 1.712 64.019 62.300 0.012 0.000 1.035 1205 V CB -0.615 31.246 31.823 0.063 0.000 0.658 1205 V HN 0.523 nan 8.190 nan 0.000 0.452 1206 E N 0.064 120.180 120.200 -0.140 0.000 2.110 1206 E HA -0.253 4.098 4.350 0.002 0.000 0.193 1206 E C 2.178 178.603 176.600 -0.292 0.000 0.988 1206 E CA 1.485 57.771 56.400 -0.191 0.000 0.804 1206 E CB -0.210 29.392 29.700 -0.164 0.000 0.745 1206 E HN 0.796 nan 8.360 nan 0.000 0.458 1207 E N 0.781 120.733 120.200 -0.414 0.000 2.051 1207 E HA -0.171 4.180 4.350 0.002 0.000 0.192 1207 E C 2.276 178.662 176.600 -0.357 0.000 0.991 1207 E CA 0.862 57.009 56.400 -0.422 0.000 0.799 1207 E CB -0.090 29.302 29.700 -0.513 0.000 0.748 1207 E HN 0.165 nan 8.360 nan 0.000 0.449 1208 L N 0.529 121.515 121.223 -0.395 0.000 2.017 1208 L HA -0.175 4.167 4.340 0.002 0.000 0.208 1208 L C 2.737 178.962 176.870 -1.075 0.000 1.073 1208 L CA 1.462 55.866 54.840 -0.727 0.000 0.745 1208 L CB -0.418 41.289 42.059 -0.587 0.000 0.894 1208 L HN 0.075 nan 8.230 nan 0.000 0.432 1209 K N -0.074 119.962 120.400 -0.606 0.000 2.074 1209 K HA -0.246 4.076 4.320 0.002 0.000 0.209 1209 K C 2.095 178.537 176.600 -0.264 0.000 1.048 1209 K CA 1.628 57.695 56.287 -0.367 0.000 0.926 1209 K CB -0.143 32.259 32.500 -0.163 0.000 0.713 1209 K HN 0.312 nan 8.250 nan 0.000 0.444 1210 E N 0.671 120.724 120.200 -0.246 0.000 2.051 1210 E HA -0.178 4.174 4.350 0.002 0.000 0.192 1210 E C 2.033 178.557 176.600 -0.125 0.000 0.991 1210 E CA 1.067 57.376 56.400 -0.151 0.000 0.799 1210 E CB -0.026 29.586 29.700 -0.147 0.000 0.748 1210 E HN 0.260 nan 8.360 nan 0.000 0.449 1211 I N 0.536 120.988 120.570 -0.198 0.000 2.226 1211 I HA -0.269 3.902 4.170 0.002 0.000 0.245 1211 I C 2.060 178.203 176.117 0.043 0.000 1.100 1211 I CA 0.805 62.057 61.300 -0.079 0.000 1.374 1211 I CB -0.307 37.643 38.000 -0.084 0.000 1.057 1211 I HN 0.095 nan 8.210 nan 0.000 0.413 1212 F N 1.374 121.161 119.950 -0.272 0.000 2.134 1212 F HA -0.141 4.387 4.527 0.002 0.000 0.299 1212 F C 2.668 178.372 175.800 -0.159 0.000 1.097 1212 F CA 1.193 58.871 58.000 -0.537 0.000 1.264 1212 F CB -1.301 37.349 39.000 -0.582 0.000 1.001 1212 F HN 0.005 nan 8.300 nan 0.000 0.479 1213 R N 0.071 120.636 120.500 0.108 0.000 2.152 1213 R HA -0.117 4.224 4.340 0.002 0.000 0.232 1213 R C 1.748 178.098 176.300 0.083 0.000 1.117 1213 R CA 1.028 57.181 56.100 0.088 0.000 0.981 1213 R CB -0.263 30.063 30.300 0.044 0.000 0.870 1213 R HN 0.190 nan 8.270 nan 0.000 0.451 1214 E N -0.030 120.216 120.200 0.076 0.000 2.435 1214 E HA -0.038 4.313 4.350 0.002 0.000 0.195 1214 E C 0.601 177.263 176.600 0.103 0.000 1.029 1214 E CA 0.923 57.366 56.400 0.071 0.000 0.865 1214 E CB 0.576 30.307 29.700 0.051 0.000 0.833 1214 E HN 0.335 nan 8.360 nan 0.000 0.510 1215 T N -1.832 112.821 114.554 0.164 0.000 3.732 1215 T HA 0.215 4.567 4.350 0.002 0.000 0.234 1215 T C -2.013 172.852 174.700 0.276 0.000 1.146 1215 T CA -1.318 60.906 62.100 0.207 0.000 1.454 1215 T CB 1.162 70.185 68.868 0.259 0.000 0.910 1215 T HN -0.159 nan 8.240 nan 0.000 0.640 1216 P HA -0.131 nan 4.420 nan 0.000 0.221 1216 P C 1.594 178.939 177.300 0.075 0.000 1.145 1216 P CA 0.989 64.192 63.100 0.171 0.000 0.795 1216 P CB 0.074 31.838 31.700 0.107 0.000 0.775 1217 S N -1.486 114.235 115.700 0.036 0.000 2.562 1217 S HA 0.281 4.752 4.470 0.002 0.000 0.221 1217 S C 1.078 175.627 174.600 -0.085 0.000 0.975 1217 S CA -0.111 58.078 58.200 -0.018 0.000 0.918 1217 S CB -0.520 62.677 63.200 -0.005 0.000 0.772 1217 S HN 0.184 nan 8.310 nan 0.000 0.531 1218 A N 1.247 123.968 122.820 -0.164 0.000 2.306 1218 A HA 0.711 5.032 4.320 0.002 0.000 0.330 1218 A C -0.127 177.090 177.584 -0.612 0.000 1.146 1218 A CA -0.688 51.174 52.037 -0.290 0.000 0.827 1218 A CB 1.116 20.001 19.000 -0.192 0.000 1.178 1218 A HN 0.261 nan 8.150 nan 0.000 0.490 1219 V N 2.362 122.049 119.914 -0.378 0.000 2.572 1219 V HA 0.133 4.254 4.120 0.002 0.000 0.291 1219 V C -0.173 175.673 176.094 -0.413 0.000 1.039 1219 V CA 0.317 62.429 62.300 -0.313 0.000 1.055 1219 V CB 0.022 31.803 31.823 -0.071 0.000 0.969 1219 V HN 0.870 nan 8.190 nan 0.000 0.482 1220 H N 3.650 122.614 119.070 -0.177 0.000 2.504 1220 H HA 0.570 5.128 4.556 0.002 0.000 0.322 1220 H C -0.430 174.825 175.328 -0.123 0.000 1.055 1220 H CA -0.635 55.223 56.048 -0.318 0.000 1.231 1220 H CB 1.056 30.164 29.762 -1.091 0.000 1.417 1220 H HN 0.526 nan 8.280 nan 0.000 0.472 1221 K N 2.293 122.756 120.400 0.104 0.000 2.345 1221 K HA 0.457 4.778 4.320 0.002 0.000 0.255 1221 K C -1.118 175.577 176.600 0.158 0.000 0.934 1221 K CA -0.720 55.646 56.287 0.132 0.000 0.801 1221 K CB 2.516 35.024 32.500 0.013 0.000 1.137 1221 K HN 0.249 nan 8.250 nan 0.000 0.424 1222 V N 4.767 124.765 119.914 0.139 0.000 2.347 1222 V HA 0.361 4.483 4.120 0.002 0.000 0.280 1222 V C -0.147 175.898 176.094 -0.082 0.000 1.021 1222 V CA -0.775 61.574 62.300 0.081 0.000 0.847 1222 V CB 0.913 32.785 31.823 0.081 0.000 0.990 1222 V HN 0.663 nan 8.190 nan 0.000 0.444 1223 I N 5.676 126.200 120.570 -0.076 0.000 2.337 1223 I HA 0.148 4.319 4.170 0.002 0.000 0.291 1223 I C 1.101 176.961 176.117 -0.428 0.000 1.046 1223 I CA -0.126 61.096 61.300 -0.130 0.000 1.324 1223 I CB 1.538 39.563 38.000 0.042 0.000 1.409 1223 I HN 0.610 nan 8.210 nan 0.000 0.494 1224 V N 1.541 121.101 119.914 -0.591 0.000 3.650 1224 V HA 0.198 4.320 4.120 0.002 0.000 0.271 1224 V C 0.539 176.469 176.094 -0.273 0.000 1.281 1224 V CA -0.009 61.659 62.300 -1.053 0.000 1.120 1224 V CB -0.962 30.171 31.823 -1.151 0.000 0.856 1224 V HN 0.956 nan 8.190 nan 0.000 0.443 1225 E N 1.141 121.281 120.200 -0.101 0.000 2.313 1225 E HA -0.220 4.131 4.350 0.002 0.000 0.190 1225 E C 1.159 177.772 176.600 0.022 0.000 1.406 1225 E CA 0.544 56.967 56.400 0.039 0.000 0.668 1225 E CB -1.846 28.014 29.700 0.266 0.000 1.135 1225 E HN 0.921 nan 8.360 nan 0.000 0.375 1226 T N -2.078 112.448 114.554 -0.046 0.000 2.803 1226 T HA -0.125 4.227 4.350 0.002 0.000 0.269 1226 T C -0.368 174.311 174.700 -0.035 0.000 1.052 1226 T CA 1.162 63.245 62.100 -0.028 0.000 1.136 1226 T CB -0.668 68.177 68.868 -0.039 0.000 0.864 1226 T HN 0.252 nan 8.240 nan 0.000 0.467 1227 P HA -0.058 nan 4.420 nan 0.000 0.228 1227 P C 0.214 177.422 177.300 -0.153 0.000 1.151 1227 P CA 0.886 63.864 63.100 -0.203 0.000 0.770 1227 P CB -0.267 31.215 31.700 -0.362 0.000 0.786 1228 Y N -0.608 119.736 120.300 0.073 0.000 2.507 1228 Y HA 0.337 4.888 4.550 0.002 0.000 0.254 1228 Y C 1.178 177.148 175.900 0.117 0.000 1.171 1228 Y CA -0.447 57.708 58.100 0.091 0.000 1.238 1228 Y CB -0.057 38.465 38.460 0.103 0.000 1.148 1228 Y HN -0.162 nan 8.280 nan 0.000 0.525 1229 L N 1.174 122.530 121.223 0.222 0.000 2.362 1229 L HA 0.399 4.740 4.340 0.002 0.000 0.271 1229 L C -0.052 176.908 176.870 0.150 0.000 1.002 1229 L CA -0.955 54.009 54.840 0.207 0.000 0.818 1229 L CB 2.019 44.185 42.059 0.179 0.000 1.298 1229 L HN 0.151 nan 8.230 nan 0.000 0.420 1230 N N 0.825 119.621 118.700 0.159 0.000 2.405 1230 N HA 0.185 4.926 4.740 0.002 0.000 0.269 1230 N C 0.122 175.698 175.510 0.110 0.000 1.249 1230 N CA -0.803 52.318 53.050 0.117 0.000 0.974 1230 N CB 1.308 39.862 38.487 0.111 0.000 1.204 1230 N HN 0.601 nan 8.380 nan 0.000 0.565 1231 E N 0.105 120.355 120.200 0.083 0.000 2.097 1231 E HA -0.283 4.068 4.350 0.002 0.000 0.196 1231 E C 1.529 178.181 176.600 0.087 0.000 1.000 1231 E CA 1.370 57.813 56.400 0.072 0.000 0.804 1231 E CB -0.135 29.597 29.700 0.053 0.000 0.740 1231 E HN 0.704 nan 8.360 nan 0.000 0.454 1232 E N 1.580 121.840 120.200 0.099 0.000 2.106 1232 E HA -0.218 4.133 4.350 0.002 0.000 0.192 1232 E C 1.600 178.300 176.600 0.167 0.000 0.984 1232 E CA 1.143 57.608 56.400 0.109 0.000 0.806 1232 E CB 0.022 29.779 29.700 0.095 0.000 0.750 1232 E HN 0.354 nan 8.360 nan 0.000 0.458 1233 E N 0.273 120.612 120.200 0.230 0.000 2.208 1233 E HA -0.080 4.271 4.350 0.002 0.000 0.193 1233 E C 2.295 179.073 176.600 0.298 0.000 0.988 1233 E CA 0.789 57.430 56.400 0.401 0.000 0.828 1233 E CB -0.030 29.963 29.700 0.489 0.000 0.763 1233 E HN 0.362 nan 8.360 nan 0.000 0.478 1234 I N 1.216 121.887 120.570 0.167 0.000 2.252 1234 I HA -0.268 3.904 4.170 0.002 0.000 0.245 1234 I C 2.170 178.336 176.117 0.083 0.000 1.102 1234 I CA 1.175 62.528 61.300 0.088 0.000 1.385 1234 I CB -0.123 37.909 38.000 0.053 0.000 1.064 1234 I HN 0.013 nan 8.210 nan 0.000 0.414 1235 K N 0.565 121.021 120.400 0.094 0.000 2.097 1235 K HA -0.213 4.109 4.320 0.002 0.000 0.205 1235 K C 2.147 178.803 176.600 0.094 0.000 1.050 1235 K CA 1.147 57.478 56.287 0.073 0.000 0.938 1235 K CB -0.109 32.427 32.500 0.061 0.000 0.718 1235 K HN -0.019 nan 8.250 nan 0.000 0.442 1236 K N 1.335 121.826 120.400 0.150 0.000 2.097 1236 K HA -0.036 4.285 4.320 0.002 0.000 0.205 1236 K C 1.851 178.606 176.600 0.259 0.000 1.050 1236 K CA 1.309 57.699 56.287 0.171 0.000 0.938 1236 K CB -0.332 32.299 32.500 0.218 0.000 0.718 1236 K HN 0.127 nan 8.250 nan 0.000 0.442 1237 A N 0.087 123.074 122.820 0.279 0.000 1.883 1237 A HA -0.139 4.183 4.320 0.002 0.000 0.217 1237 A C 2.303 179.934 177.584 0.078 0.000 1.186 1237 A CA 1.979 54.138 52.037 0.203 0.000 0.624 1237 A CB -0.883 18.083 19.000 -0.057 0.000 0.822 1237 A HN 0.114 nan 8.150 nan 0.000 0.444 1238 V N 0.365 120.306 119.914 0.045 0.000 2.295 1238 V HA -0.220 3.902 4.120 0.002 0.000 0.246 1238 V C 2.531 178.657 176.094 0.054 0.000 1.049 1238 V CA 2.150 64.465 62.300 0.024 0.000 1.024 1238 V CB -0.731 31.102 31.823 0.017 0.000 0.648 1238 V HN 0.531 nan 8.190 nan 0.000 0.447 1239 E N -0.237 120.005 120.200 0.070 0.000 2.153 1239 E HA -0.127 4.224 4.350 0.002 0.000 0.194 1239 E C 2.128 178.785 176.600 0.095 0.000 0.988 1239 E CA 1.115 57.553 56.400 0.063 0.000 0.811 1239 E CB -0.206 29.518 29.700 0.039 0.000 0.746 1239 E HN 0.579 nan 8.360 nan 0.000 0.466 1240 I N 0.224 120.889 120.570 0.158 0.000 2.233 1240 I HA -0.264 3.908 4.170 0.002 0.000 0.243 1240 I C 2.344 178.578 176.117 0.194 0.000 1.093 1240 I CA 0.655 62.088 61.300 0.223 0.000 1.380 1240 I CB -0.189 38.069 38.000 0.431 0.000 1.067 1240 I HN 0.111 nan 8.210 nan 0.000 0.413 1241 C N 0.725 120.121 119.300 0.160 0.000 2.425 1241 C HA -0.123 4.338 4.460 0.002 0.000 0.277 1241 C C 2.699 177.768 174.990 0.132 0.000 1.280 1241 C CA 0.575 59.677 59.018 0.141 0.000 1.744 1241 C CB -0.832 26.945 27.740 0.062 0.000 1.989 1241 C HN 0.427 nan 8.230 nan 0.000 0.491 1242 I N 0.581 121.206 120.570 0.091 0.000 2.233 1242 I HA -0.179 3.992 4.170 0.002 0.000 0.243 1242 I C 2.703 178.870 176.117 0.082 0.000 1.093 1242 I CA 1.531 62.873 61.300 0.069 0.000 1.380 1242 I CB -0.623 37.402 38.000 0.041 0.000 1.067 1242 I HN 0.419 nan 8.210 nan 0.000 0.413 1243 E N 1.384 121.635 120.200 0.086 0.000 2.110 1243 E HA -0.234 4.117 4.350 0.002 0.000 0.193 1243 E C 2.122 178.778 176.600 0.093 0.000 0.988 1243 E CA 1.288 57.735 56.400 0.079 0.000 0.804 1243 E CB 0.021 29.767 29.700 0.077 0.000 0.745 1243 E HN 0.491 nan 8.360 nan 0.000 0.458 1244 A N 0.010 122.906 122.820 0.126 0.000 2.167 1244 A HA 0.171 4.492 4.320 0.002 0.000 0.214 1244 A C 1.685 179.424 177.584 0.259 0.000 1.151 1244 A CA 0.995 53.116 52.037 0.140 0.000 0.735 1244 A CB -0.376 18.699 19.000 0.126 0.000 0.802 1244 A HN 0.463 nan 8.150 nan 0.000 0.467 1245 G N -1.650 107.279 108.800 0.214 0.000 2.160 1245 G HA2 0.114 4.075 3.960 0.002 0.000 0.244 1245 G HA3 0.114 4.075 3.960 0.002 0.000 0.244 1245 G C 0.357 175.365 174.900 0.179 0.000 1.022 1245 G CA 0.380 45.592 45.100 0.186 0.000 0.741 1245 G HN 1.509 nan 8.290 nan 0.000 0.508 1246 A N -0.499 122.452 122.820 0.218 0.000 2.366 1246 A HA 0.597 4.918 4.320 0.002 0.000 0.249 1246 A C 1.230 178.813 177.584 -0.002 0.000 1.084 1246 A CA 0.599 52.681 52.037 0.076 0.000 0.794 1246 A CB 0.431 19.560 19.000 0.216 0.000 1.034 1246 A HN 0.207 nan 8.150 nan 0.000 0.491 1247 D N -0.300 120.085 120.400 -0.025 0.000 2.183 1247 D HA 0.124 4.766 4.640 0.002 0.000 0.205 1247 D C -0.458 175.717 176.300 -0.209 0.000 0.962 1247 D CA 1.478 55.429 54.000 -0.082 0.000 0.849 1247 D CB 0.078 40.889 40.800 0.019 0.000 0.978 1247 D HN 0.448 nan 8.370 nan 0.000 0.488 1248 F N -0.244 119.681 119.950 -0.041 0.000 2.599 1248 F HA 0.429 4.957 4.527 0.002 0.000 0.311 1248 F C -0.353 175.431 175.800 -0.026 0.000 1.076 1248 F CA -1.107 56.874 58.000 -0.032 0.000 0.937 1248 F CB 2.452 41.431 39.000 -0.035 0.000 1.282 1248 F HN -0.344 nan 8.300 nan 0.000 0.460 1249 I N 3.008 123.677 120.570 0.166 0.000 2.362 1249 I HA 0.406 4.578 4.170 0.002 0.000 0.289 1249 I C -1.027 175.119 176.117 0.048 0.000 0.994 1249 I CA -0.461 60.864 61.300 0.042 0.000 1.158 1249 I CB 0.969 38.953 38.000 -0.027 0.000 1.315 1249 I HN 0.576 nan 8.210 nan 0.000 0.451 1250 K N 5.206 125.601 120.400 -0.009 0.000 2.159 1250 K HA 0.355 4.677 4.320 0.002 0.000 0.266 1250 K C 0.943 177.506 176.600 -0.062 0.000 0.975 1250 K CA -0.225 56.054 56.287 -0.013 0.000 0.865 1250 K CB 1.561 34.058 32.500 -0.004 0.000 1.087 1250 K HN 0.800 nan 8.250 nan 0.000 0.446 1251 T N 0.424 114.956 114.554 -0.037 0.000 2.564 1251 T HA -0.139 4.212 4.350 0.002 0.000 0.259 1251 T C 1.649 176.318 174.700 -0.051 0.000 1.087 1251 T CA 1.362 63.432 62.100 -0.051 0.000 1.184 1251 T CB -0.370 68.480 68.868 -0.029 0.000 0.864 1251 T HN 0.449 nan 8.240 nan 0.000 0.403 1252 S N -0.769 114.922 115.700 -0.016 0.000 2.479 1252 S HA 0.371 4.842 4.470 0.002 0.000 0.157 1252 S C 1.380 176.008 174.600 0.046 0.000 1.101 1252 S CA 0.931 59.126 58.200 -0.008 0.000 1.696 1252 S CB 0.167 63.360 63.200 -0.011 0.000 0.580 1252 S HN 0.757 nan 8.310 nan 0.000 0.407 1253 T N -2.662 111.966 114.554 0.122 0.000 4.309 1253 T HA 0.189 4.540 4.350 0.002 0.000 0.282 1253 T C 0.614 175.537 174.700 0.371 0.000 0.995 1253 T CA 1.090 63.334 62.100 0.240 0.000 0.710 1253 T CB -1.229 67.651 68.868 0.021 0.000 1.030 1253 T HN 1.351 nan 8.240 nan 0.000 0.796 1254 G N 1.106 110.015 108.800 0.182 0.000 2.317 1254 G HA2 -0.192 3.770 3.960 0.002 0.000 0.227 1254 G HA3 -0.192 3.770 3.960 0.002 0.000 0.227 1254 G C -0.083 174.755 174.900 -0.103 0.000 1.042 1254 G CA 0.061 45.188 45.100 0.046 0.000 0.623 1254 G HN 0.557 nan 8.290 nan 0.000 0.509 1255 F N 2.681 122.619 119.950 -0.021 0.000 2.541 1255 F HA 0.764 5.293 4.527 0.002 0.000 0.351 1255 F C 0.762 176.546 175.800 -0.025 0.000 1.209 1255 F CA -0.130 57.860 58.000 -0.018 0.000 1.277 1255 F CB 0.725 39.699 39.000 -0.044 0.000 1.632 1255 F HN 0.582 nan 8.300 nan 0.000 0.619 1256 A N 2.350 125.189 122.820 0.032 0.000 2.610 1256 A HA 0.667 4.988 4.320 0.002 0.000 0.291 1256 A C -1.941 175.612 177.584 -0.052 0.000 1.086 1256 A CA -1.002 50.989 52.037 -0.076 0.000 0.677 1256 A CB 0.876 19.703 19.000 -0.287 0.000 1.278 1256 A HN 0.209 nan 8.150 nan 0.000 0.414 1257 P HA 0.033 nan 4.420 nan 0.000 0.233 1257 P C 0.110 177.390 177.300 -0.033 0.000 1.167 1257 P CA 0.701 63.796 63.100 -0.010 0.000 0.770 1257 P CB 0.086 31.803 31.700 0.029 0.000 0.837 1258 R N -1.704 118.756 120.500 -0.068 0.000 2.707 1258 R HA 0.678 5.019 4.340 0.002 0.000 0.272 1258 R C -0.124 176.135 176.300 -0.069 0.000 1.011 1258 R CA -0.873 55.193 56.100 -0.056 0.000 0.893 1258 R CB 0.778 31.051 30.300 -0.044 0.000 1.233 1258 R HN -0.179 nan 8.270 nan 0.000 0.464 1259 G N 0.471 109.243 108.800 -0.047 0.000 2.525 1259 G HA2 0.389 4.350 3.960 0.002 0.000 0.287 1259 G HA3 0.389 4.350 3.960 0.002 0.000 0.287 1259 G C -0.684 174.193 174.900 -0.039 0.000 1.350 1259 G CA -0.662 44.412 45.100 -0.042 0.000 1.039 1259 G HN 0.518 nan 8.290 nan 0.000 0.513 1260 T N -0.041 114.496 114.554 -0.029 0.000 2.882 1260 T HA 0.524 4.876 4.350 0.002 0.000 0.287 1260 T C 0.705 175.394 174.700 -0.018 0.000 1.014 1260 T CA 0.086 62.171 62.100 -0.025 0.000 1.049 1260 T CB 1.160 70.016 68.868 -0.020 0.000 1.001 1260 T HN 0.817 nan 8.240 nan 0.000 0.525 1261 T N -0.196 114.350 114.554 -0.014 0.000 2.942 1261 T HA 0.483 4.835 4.350 0.002 0.000 0.289 1261 T C 1.020 175.714 174.700 -0.009 0.000 1.044 1261 T CA -0.934 61.160 62.100 -0.010 0.000 1.023 1261 T CB 0.857 69.721 68.868 -0.007 0.000 1.123 1261 T HN 0.124 nan 8.240 nan 0.000 0.512 1262 L N 0.760 121.978 121.223 -0.009 0.000 2.131 1262 L HA 0.057 4.399 4.340 0.002 0.000 0.210 1262 L C 2.497 179.363 176.870 -0.006 0.000 1.092 1262 L CA 1.698 56.532 54.840 -0.009 0.000 0.759 1262 L CB -1.351 40.702 42.059 -0.010 0.000 0.903 1262 L HN 0.778 nan 8.230 nan 0.000 0.435 1263 E N -0.595 119.603 120.200 -0.003 0.000 2.077 1263 E HA -0.189 4.163 4.350 0.002 0.000 0.193 1263 E C 2.121 178.722 176.600 0.002 0.000 0.989 1263 E CA 1.190 57.591 56.400 0.001 0.000 0.800 1263 E CB -0.197 29.505 29.700 0.003 0.000 0.746 1263 E HN 0.485 nan 8.360 nan 0.000 0.452 1264 E N 0.229 120.429 120.200 0.000 0.000 2.077 1264 E HA -0.149 4.202 4.350 0.002 0.000 0.193 1264 E C 2.121 178.720 176.600 -0.002 0.000 0.989 1264 E CA 1.267 57.667 56.400 0.000 0.000 0.800 1264 E CB -0.003 29.694 29.700 -0.005 0.000 0.746 1264 E HN 0.088 nan 8.360 nan 0.000 0.452 1265 V N 1.277 121.189 119.914 -0.003 0.000 2.343 1265 V HA -0.260 3.861 4.120 0.002 0.000 0.247 1265 V C 2.239 178.332 176.094 -0.001 0.000 1.051 1265 V CA 1.764 64.063 62.300 -0.002 0.000 1.036 1265 V CB -0.505 31.316 31.823 -0.004 0.000 0.654 1265 V HN 0.199 nan 8.190 nan 0.000 0.451 1266 R N -0.410 120.089 120.500 -0.002 0.000 2.081 1266 R HA -0.168 4.173 4.340 0.002 0.000 0.235 1266 R C 2.270 178.571 176.300 0.002 0.000 1.131 1266 R CA 1.641 57.740 56.100 -0.001 0.000 0.960 1266 R CB -0.647 29.652 30.300 -0.001 0.000 0.856 1266 R HN 0.391 nan 8.270 nan 0.000 0.436 1267 L N 1.279 122.505 121.223 0.004 0.000 1.994 1267 L HA -0.142 4.200 4.340 0.002 0.000 0.208 1267 L C 2.033 178.907 176.870 0.006 0.000 1.071 1267 L CA 1.688 56.533 54.840 0.008 0.000 0.745 1267 L CB -0.351 41.715 42.059 0.012 0.000 0.892 1267 L HN 0.127 nan 8.230 nan 0.000 0.431 1268 I N -0.447 120.125 120.570 0.003 0.000 2.226 1268 I HA -0.320 3.852 4.170 0.002 0.000 0.245 1268 I C 2.601 178.717 176.117 -0.001 0.000 1.100 1268 I CA 1.643 62.943 61.300 -0.000 0.000 1.374 1268 I CB -0.470 37.527 38.000 -0.005 0.000 1.057 1268 I HN 0.365 nan 8.210 nan 0.000 0.413 1269 K N 1.114 121.513 120.400 -0.001 0.000 2.026 1269 K HA -0.211 4.111 4.320 0.002 0.000 0.208 1269 K C 2.350 178.947 176.600 -0.005 0.000 1.048 1269 K CA 2.084 58.368 56.287 -0.004 0.000 0.929 1269 K CB -0.065 32.434 32.500 -0.003 0.000 0.713 1269 K HN 0.389 nan 8.250 nan 0.000 0.439 1270 S N -0.121 115.579 115.700 -0.001 0.000 2.368 1270 S HA -0.084 4.388 4.470 0.002 0.000 0.224 1270 S C 2.087 176.688 174.600 0.001 0.000 1.029 1270 S CA 1.502 59.701 58.200 -0.000 0.000 0.988 1270 S CB -0.250 62.951 63.200 0.002 0.000 0.838 1270 S HN 0.250 nan 8.310 nan 0.000 0.462 1271 S N 2.433 118.135 115.700 0.004 0.000 2.368 1271 S HA 0.135 4.606 4.470 0.002 0.000 0.224 1271 S C 2.350 176.952 174.600 0.002 0.000 1.029 1271 S CA 0.977 59.181 58.200 0.007 0.000 0.988 1271 S CB -0.838 62.370 63.200 0.013 0.000 0.838 1271 S HN 0.781 nan 8.310 nan 0.000 0.462 1272 A N 1.253 124.071 122.820 -0.003 0.000 1.902 1272 A HA -0.041 4.280 4.320 0.002 0.000 0.217 1272 A C 1.207 178.782 177.584 -0.014 0.000 1.181 1272 A CA 1.435 53.465 52.037 -0.011 0.000 0.623 1272 A CB -0.559 18.428 19.000 -0.021 0.000 0.818 1272 A HN 0.455 nan 8.150 nan 0.000 0.443 1273 K N -1.779 118.613 120.400 -0.013 0.000 3.278 1273 K HA -0.230 4.091 4.320 0.002 0.000 0.270 1273 K C 0.774 177.362 176.600 -0.021 0.000 0.955 1273 K CA 0.652 56.931 56.287 -0.013 0.000 0.723 1273 K CB -1.870 30.625 32.500 -0.008 0.000 1.382 1273 K HN 1.786 nan 8.250 nan 0.000 0.461 1274 G N -0.138 108.644 108.800 -0.030 0.000 2.189 1274 G HA2 -0.361 3.600 3.960 0.002 0.000 0.267 1274 G HA3 -0.361 3.600 3.960 0.002 0.000 0.267 1274 G C 0.640 175.511 174.900 -0.049 0.000 0.975 1274 G CA 0.697 45.772 45.100 -0.042 0.000 0.644 1274 G HN 0.597 nan 8.290 nan 0.000 0.537 1275 R N -0.684 119.791 120.500 -0.041 0.000 2.276 1275 R HA 0.578 4.919 4.340 0.002 0.000 0.196 1275 R C 0.963 177.230 176.300 -0.055 0.000 0.961 1275 R CA 0.953 57.030 56.100 -0.038 0.000 1.024 1275 R CB 0.565 30.854 30.300 -0.018 0.000 0.940 1275 R HN 0.571 nan 8.270 nan 0.000 0.480 1276 I N 0.036 120.558 120.570 -0.080 0.000 2.882 1276 I HA 0.189 4.361 4.170 0.002 0.000 0.298 1276 I C -1.348 174.663 176.117 -0.176 0.000 1.462 1276 I CA -0.906 60.321 61.300 -0.121 0.000 1.000 1276 I CB 2.044 40.004 38.000 -0.066 0.000 1.340 1276 I HN -0.137 nan 8.210 nan 0.000 0.462 1277 K N 3.638 123.833 120.400 -0.341 0.000 2.090 1277 K HA 0.664 4.985 4.320 0.002 0.000 0.250 1277 K C -1.310 175.200 176.600 -0.151 0.000 1.004 1277 K CA -0.680 55.355 56.287 -0.419 0.000 0.919 1277 K CB 1.735 33.610 32.500 -1.041 0.000 1.045 1277 K HN 0.303 nan 8.250 nan 0.000 0.471 1278 V N 1.628 121.567 119.914 0.043 0.000 2.540 1278 V HA 0.286 4.408 4.120 0.002 0.000 0.302 1278 V C -0.589 175.680 176.094 0.292 0.000 1.035 1278 V CA -0.857 61.543 62.300 0.166 0.000 0.873 1278 V CB 1.496 33.360 31.823 0.068 0.000 0.992 1278 V HN 0.647 nan 8.190 nan 0.000 0.428 1279 K N 3.553 124.095 120.400 0.236 0.000 2.425 1279 K HA 0.773 5.094 4.320 0.002 0.000 0.259 1279 K C -0.366 176.260 176.600 0.043 0.000 0.978 1279 K CA -0.403 55.945 56.287 0.102 0.000 0.883 1279 K CB 1.473 33.944 32.500 -0.048 0.000 1.110 1279 K HN 0.864 nan 8.250 nan 0.000 0.436 1280 A N 2.921 125.760 122.820 0.031 0.000 2.301 1280 A HA 0.554 4.876 4.320 0.002 0.000 0.298 1280 A C -0.652 176.935 177.584 0.005 0.000 1.185 1280 A CA -0.357 51.687 52.037 0.012 0.000 0.830 1280 A CB 0.530 19.533 19.000 0.005 0.000 1.112 1280 A HN 0.815 nan 8.150 nan 0.000 0.508 1281 S N 0.635 116.338 115.700 0.005 0.000 2.570 1281 S HA 0.845 5.316 4.470 0.002 0.000 0.270 1281 S C -0.306 174.299 174.600 0.008 0.000 1.149 1281 S CA -0.202 58.006 58.200 0.012 0.000 0.837 1281 S CB 1.182 64.399 63.200 0.029 0.000 1.124 1281 S HN 2.595 nan 8.310 nan 0.000 0.465 1282 G N -0.388 108.418 108.800 0.010 0.000 3.238 1282 G HA2 0.456 4.417 3.960 0.002 0.000 0.684 1282 G HA3 0.456 4.417 3.960 0.002 0.000 0.684 1282 G C 0.943 175.834 174.900 -0.014 0.000 1.156 1282 G CA 0.331 45.428 45.100 -0.005 0.000 1.048 1282 G HN 2.540 nan 8.290 nan 0.000 0.462 1283 G N 0.433 109.223 108.800 -0.017 0.000 2.179 1283 G HA2 -0.216 3.745 3.960 0.002 0.000 0.260 1283 G HA3 -0.216 3.745 3.960 0.002 0.000 0.260 1283 G C 0.639 175.534 174.900 -0.009 0.000 0.977 1283 G CA 0.436 45.526 45.100 -0.017 0.000 0.641 1283 G HN 1.666 nan 8.290 nan 0.000 0.533 1284 I N 1.145 121.712 120.570 -0.005 0.000 2.372 1284 I HA 0.238 4.409 4.170 0.002 0.000 0.298 1284 I C 1.610 177.729 176.117 0.004 0.000 1.137 1284 I CA -0.026 61.272 61.300 -0.002 0.000 1.314 1284 I CB 0.509 38.508 38.000 -0.002 0.000 1.444 1284 I HN 0.127 nan 8.210 nan 0.000 0.541 1285 R N 3.171 123.673 120.500 0.004 0.000 2.307 1285 R HA 0.118 4.459 4.340 0.002 0.000 0.200 1285 R C -0.441 175.868 176.300 0.014 0.000 0.893 1285 R CA 0.102 56.208 56.100 0.010 0.000 1.042 1285 R CB 0.232 30.536 30.300 0.007 0.000 1.059 1285 R HN 0.708 nan 8.270 nan 0.000 0.530 1286 D N -1.701 118.706 120.400 0.011 0.000 2.579 1286 D HA 0.043 4.684 4.640 0.002 0.000 0.257 1286 D C 0.417 176.726 176.300 0.014 0.000 1.176 1286 D CA -0.836 53.173 54.000 0.015 0.000 0.914 1286 D CB 0.621 41.430 40.800 0.014 0.000 1.431 1286 D HN -0.229 nan 8.370 nan 0.000 0.454 1287 L N 0.398 121.636 121.223 0.026 0.000 2.013 1287 L HA -0.120 4.221 4.340 0.002 0.000 0.212 1287 L C 2.015 178.894 176.870 0.016 0.000 1.073 1287 L CA 2.239 57.098 54.840 0.033 0.000 0.753 1287 L CB -0.823 41.276 42.059 0.066 0.000 0.890 1287 L HN 0.783 nan 8.230 nan 0.000 0.432 1288 E N -1.391 118.817 120.200 0.014 0.000 2.070 1288 E HA -0.257 4.095 4.350 0.002 0.000 0.197 1288 E C 1.867 178.462 176.600 -0.009 0.000 1.004 1288 E CA 2.113 58.516 56.400 0.004 0.000 0.805 1288 E CB -0.144 29.558 29.700 0.004 0.000 0.744 1288 E HN 0.616 nan 8.360 nan 0.000 0.451 1289 T N 0.590 115.139 114.554 -0.009 0.000 2.746 1289 T HA -0.111 4.240 4.350 0.002 0.000 0.267 1289 T C 1.892 176.574 174.700 -0.029 0.000 1.039 1289 T CA 1.282 63.372 62.100 -0.016 0.000 1.142 1289 T CB -0.366 68.496 68.868 -0.010 0.000 0.866 1289 T HN 0.360 nan 8.240 nan 0.000 0.444 1290 A N 1.289 124.091 122.820 -0.031 0.000 1.908 1290 A HA -0.060 4.261 4.320 0.002 0.000 0.218 1290 A C 2.310 179.836 177.584 -0.097 0.000 1.181 1290 A CA 1.328 53.331 52.037 -0.056 0.000 0.627 1290 A CB -0.840 18.132 19.000 -0.047 0.000 0.818 1290 A HN 0.528 nan 8.150 nan 0.000 0.445 1291 I N 0.616 121.138 120.570 -0.079 0.000 2.226 1291 I HA -0.252 3.920 4.170 0.002 0.000 0.245 1291 I C 2.902 178.965 176.117 -0.090 0.000 1.100 1291 I CA 1.618 62.858 61.300 -0.099 0.000 1.374 1291 I CB -0.355 37.616 38.000 -0.048 0.000 1.057 1291 I HN 0.530 nan 8.210 nan 0.000 0.413 1292 S N 0.778 116.443 115.700 -0.058 0.000 2.382 1292 S HA -0.164 4.307 4.470 0.002 0.000 0.228 1292 S C 2.055 176.623 174.600 -0.053 0.000 1.027 1292 S CA 0.905 59.077 58.200 -0.047 0.000 0.991 1292 S CB -0.336 62.846 63.200 -0.029 0.000 0.823 1292 S HN 0.269 nan 8.310 nan 0.000 0.469 1293 M N 1.288 120.853 119.600 -0.059 0.000 2.159 1293 M HA 0.111 4.592 4.480 0.002 0.000 0.263 1293 M C 2.266 178.522 176.300 -0.074 0.000 1.063 1293 M CA 1.165 56.432 55.300 -0.054 0.000 1.110 1293 M CB -1.136 31.436 32.600 -0.046 0.000 1.374 1293 M HN 0.371 nan 8.290 nan 0.000 0.411 1294 I N -0.161 120.328 120.570 -0.134 0.000 2.252 1294 I HA -0.261 3.911 4.170 0.002 0.000 0.245 1294 I C 2.103 178.147 176.117 -0.122 0.000 1.102 1294 I CA 1.148 62.331 61.300 -0.194 0.000 1.385 1294 I CB -0.352 37.379 38.000 -0.447 0.000 1.064 1294 I HN 0.352 nan 8.210 nan 0.000 0.414 1295 E N 0.948 121.087 120.200 -0.102 0.000 2.204 1295 E HA -0.160 4.191 4.350 0.002 0.000 0.194 1295 E C 2.179 178.756 176.600 -0.038 0.000 0.989 1295 E CA 1.080 57.444 56.400 -0.062 0.000 0.824 1295 E CB -0.120 29.550 29.700 -0.051 0.000 0.756 1295 E HN 0.498 nan 8.360 nan 0.000 0.477 1296 A N 0.131 122.929 122.820 -0.037 0.000 2.167 1296 A HA 0.162 4.484 4.320 0.002 0.000 0.214 1296 A C 1.749 179.324 177.584 -0.014 0.000 1.151 1296 A CA 1.111 53.135 52.037 -0.022 0.000 0.735 1296 A CB 0.007 18.995 19.000 -0.020 0.000 0.802 1296 A HN 0.363 nan 8.150 nan 0.000 0.467 1297 G N -2.764 106.027 108.800 -0.015 0.000 2.273 1297 G HA2 0.240 4.201 3.960 0.002 0.000 0.162 1297 G HA3 0.240 4.201 3.960 0.002 0.000 0.162 1297 G C 0.293 175.204 174.900 0.019 0.000 1.006 1297 G CA -0.041 45.059 45.100 0.000 0.000 0.704 1297 G HN 1.345 nan 8.290 nan 0.000 0.487 1298 A N 0.646 123.475 122.820 0.015 0.000 2.492 1298 A HA 0.543 4.864 4.320 0.002 0.000 0.254 1298 A C 1.022 178.681 177.584 0.126 0.000 1.091 1298 A CA 0.775 52.845 52.037 0.054 0.000 0.768 1298 A CB 0.267 19.279 19.000 0.021 0.000 1.028 1298 A HN 0.207 nan 8.150 nan 0.000 0.498 1299 D N 1.155 121.675 120.400 0.199 0.000 2.327 1299 D HA 0.050 4.692 4.640 0.002 0.000 0.205 1299 D C 0.348 176.856 176.300 0.347 0.000 0.989 1299 D CA 0.851 55.018 54.000 0.279 0.000 0.873 1299 D CB 0.400 41.329 40.800 0.216 0.000 0.955 1299 D HN 0.440 nan 8.370 nan 0.000 0.515 1300 R N 0.397 121.054 120.500 0.262 0.000 2.707 1300 R HA 0.437 4.778 4.340 0.002 0.000 0.272 1300 R C -1.050 175.290 176.300 0.065 0.000 1.011 1300 R CA -0.676 55.490 56.100 0.111 0.000 0.893 1300 R CB 2.385 32.596 30.300 -0.148 0.000 1.233 1300 R HN -0.113 nan 8.270 nan 0.000 0.464 1301 I N 1.240 121.838 120.570 0.046 0.000 2.418 1301 I HA 0.319 4.490 4.170 0.002 0.000 0.287 1301 I C 0.567 176.688 176.117 0.006 0.000 1.008 1301 I CA -0.509 60.802 61.300 0.019 0.000 1.104 1301 I CB 1.465 39.473 38.000 0.013 0.000 1.264 1301 I HN 0.627 nan 8.210 nan 0.000 0.438 1302 G N 3.616 112.416 108.800 0.001 0.000 2.319 1302 G HA2 0.533 4.494 3.960 0.002 0.000 0.308 1302 G HA3 0.533 4.494 3.960 0.002 0.000 0.308 1302 G C -0.413 174.501 174.900 0.024 0.000 1.117 1302 G CA -0.177 44.928 45.100 0.008 0.000 0.903 1302 G HN 0.569 nan 8.290 nan 0.000 0.436 1303 T N -0.531 114.045 114.554 0.037 0.000 2.942 1303 T HA 0.417 4.768 4.350 0.002 0.000 0.327 1303 T C 0.975 175.719 174.700 0.073 0.000 1.360 1303 T CA 0.170 62.296 62.100 0.044 0.000 1.055 1303 T CB 1.314 70.203 68.868 0.034 0.000 1.261 1303 T HN 0.807 nan 8.240 nan 0.000 0.485 1304 S N 1.487 117.227 115.700 0.066 0.000 2.556 1304 S HA 0.214 4.685 4.470 0.002 0.000 0.216 1304 S C 0.892 175.567 174.600 0.125 0.000 0.970 1304 S CA -0.103 58.154 58.200 0.096 0.000 0.912 1304 S CB 0.173 63.394 63.200 0.036 0.000 0.790 1304 S HN 0.449 nan 8.310 nan 0.000 0.504 1305 S N 1.138 116.890 115.700 0.086 0.000 2.562 1305 S HA 0.406 4.877 4.470 0.002 0.000 0.246 1305 S C 1.567 176.201 174.600 0.056 0.000 1.056 1305 S CA -0.160 58.083 58.200 0.072 0.000 1.042 1305 S CB 0.355 63.583 63.200 0.046 0.000 0.822 1305 S HN 0.643 nan 8.310 nan 0.000 0.465 1306 G N 2.496 111.333 108.800 0.061 0.000 2.418 1306 G HA2 -0.155 3.807 3.960 0.002 0.000 0.217 1306 G HA3 -0.155 3.807 3.960 0.002 0.000 0.217 1306 G C 1.300 176.192 174.900 -0.013 0.000 1.158 1306 G CA 0.676 45.786 45.100 0.017 0.000 0.771 1306 G HN 0.464 nan 8.290 nan 0.000 0.545 1307 I N 1.706 122.257 120.570 -0.033 0.000 2.127 1307 I HA -0.149 4.023 4.170 0.002 0.000 0.241 1307 I C 2.949 179.067 176.117 0.002 0.000 1.075 1307 I CA 1.362 62.635 61.300 -0.045 0.000 1.334 1307 I CB -1.402 36.568 38.000 -0.050 0.000 1.040 1307 I HN 0.106 nan 8.210 nan 0.000 0.405 1308 S N 0.867 116.580 115.700 0.021 0.000 2.359 1308 S HA -0.130 4.341 4.470 0.002 0.000 0.224 1308 S C 2.119 176.743 174.600 0.040 0.000 1.035 1308 S CA 1.307 59.526 58.200 0.030 0.000 1.018 1308 S CB -0.357 62.863 63.200 0.033 0.000 0.876 1308 S HN 0.362 nan 8.310 nan 0.000 0.448 1309 I N 1.570 122.164 120.570 0.039 0.000 2.179 1309 I HA -0.211 3.961 4.170 0.002 0.000 0.242 1309 I C 2.701 178.869 176.117 0.085 0.000 1.088 1309 I CA 1.162 62.493 61.300 0.052 0.000 1.357 1309 I CB -0.503 37.516 38.000 0.032 0.000 1.051 1309 I HN 0.268 nan 8.210 nan 0.000 0.409 1310 A N 0.387 123.245 122.820 0.064 0.000 1.902 1310 A HA -0.221 4.100 4.320 0.002 0.000 0.217 1310 A C 2.208 179.885 177.584 0.156 0.000 1.181 1310 A CA 1.687 53.783 52.037 0.098 0.000 0.623 1310 A CB -0.580 18.440 19.000 0.032 0.000 0.818 1310 A HN 0.442 nan 8.150 nan 0.000 0.443 1311 E N -0.856 119.398 120.200 0.090 0.000 2.077 1311 E HA -0.220 4.132 4.350 0.002 0.000 0.193 1311 E C 2.053 178.702 176.600 0.081 0.000 0.989 1311 E CA 1.275 57.720 56.400 0.075 0.000 0.800 1311 E CB -0.094 29.630 29.700 0.040 0.000 0.746 1311 E HN 0.676 nan 8.360 nan 0.000 0.452 1312 E N 0.562 120.814 120.200 0.087 0.000 2.110 1312 E HA -0.194 4.158 4.350 0.002 0.000 0.193 1312 E C 1.623 178.280 176.600 0.095 0.000 0.988 1312 E CA 0.919 57.363 56.400 0.073 0.000 0.804 1312 E CB -0.275 29.467 29.700 0.069 0.000 0.745 1312 E HN 0.290 nan 8.360 nan 0.000 0.458 1313 F N -0.129 119.832 119.950 0.019 0.000 2.134 1313 F HA -0.150 4.379 4.527 0.002 0.000 0.299 1313 F C 1.623 177.458 175.800 0.058 0.000 1.097 1313 F CA 0.932 58.948 58.000 0.028 0.000 1.264 1313 F CB -0.121 38.887 39.000 0.015 0.000 1.001 1313 F HN 0.084 nan 8.300 nan 0.000 0.479 1314 L N 1.006 122.250 121.223 0.035 0.000 2.056 1314 L HA -0.172 4.169 4.340 0.002 0.000 0.207 1314 L C 2.300 179.127 176.870 -0.072 0.000 1.078 1314 L CA 1.682 56.507 54.840 -0.025 0.000 0.749 1314 L CB -1.384 40.736 42.059 0.101 0.000 0.901 1314 L HN 0.143 nan 8.230 nan 0.000 0.433 1315 K N -0.758 119.617 120.400 -0.041 0.000 2.032 1315 K HA -0.168 4.153 4.320 0.002 0.000 0.209 1315 K C 2.155 178.705 176.600 -0.083 0.000 1.048 1315 K CA 1.373 57.631 56.287 -0.048 0.000 0.927 1315 K CB -0.185 32.302 32.500 -0.022 0.000 0.712 1315 K HN 0.270 nan 8.250 nan 0.000 0.441 1316 R N -0.151 120.289 120.500 -0.100 0.000 2.081 1316 R HA -0.159 4.182 4.340 0.002 0.000 0.235 1316 R C 2.472 178.692 176.300 -0.133 0.000 1.131 1316 R CA 1.470 57.507 56.100 -0.106 0.000 0.960 1316 R CB -0.536 29.707 30.300 -0.095 0.000 0.856 1316 R HN 0.467 nan 8.270 nan 0.000 0.436 1317 H N 1.019 119.884 119.070 -0.342 0.000 2.321 1317 H HA -0.058 4.499 4.556 0.002 0.000 0.300 1317 H C 2.003 177.224 175.328 -0.180 0.000 1.087 1317 H CA 1.407 57.261 56.048 -0.324 0.000 1.319 1317 H CB 0.118 29.574 29.762 -0.510 0.000 1.379 1317 H HN 0.130 nan 8.280 nan 0.000 0.501 1318 L N 0.499 121.533 121.223 -0.314 0.000 2.217 1318 L HA -0.138 4.203 4.340 0.002 0.000 0.211 1318 L C 2.385 179.136 176.870 -0.199 0.000 1.107 1318 L CA 0.263 54.924 54.840 -0.297 0.000 0.783 1318 L CB -0.053 41.912 42.059 -0.156 0.000 0.919 1318 L HN 0.342 nan 8.230 nan 0.000 0.442 1319 I N -0.939 119.543 120.570 -0.146 0.000 2.585 1319 I HA -0.127 4.044 4.170 0.002 0.000 0.254 1319 I C 2.145 178.205 176.117 -0.095 0.000 1.129 1319 I CA 1.081 62.321 61.300 -0.100 0.000 1.455 1319 I CB -0.418 37.540 38.000 -0.070 0.000 1.111 1319 I HN 0.227 nan 8.210 nan 0.000 0.433 1320 L N 0.355 121.515 121.223 -0.105 0.000 2.116 1320 L HA 0.139 4.480 4.340 0.002 0.000 0.200 1320 L C 0.694 177.512 176.870 -0.087 0.000 1.084 1320 L CA 1.274 56.067 54.840 -0.077 0.000 0.766 1320 L CB -0.171 41.856 42.059 -0.054 0.000 0.930 1320 L HN 0.170 nan 8.230 nan 0.000 0.453 1321 E N 0.000 120.128 120.200 -0.121 0.000 2.725 1321 E HA 0.000 4.351 4.350 0.002 0.000 0.291 1321 E CA 0.000 56.332 56.400 -0.113 0.000 0.976 1321 E CB 0.000 29.616 29.700 -0.140 0.000 0.812 1321 E HN 0.000 nan 8.360 nan 0.000 0.440