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 2xp2_1_A DATA FIRST_RESID 1093 DATA SEQUENCE NPNYCFAGKT SSISDLKEVP RKNITLIRGL GXXAFGEVYE GQVSXXXXXX DATA SEQUENCE XPLQVAVKTL PEVCSEQDEL DFLMEALIIS KFNHQNIVRC IGVSLQSLPR DATA SEQUENCE FILLELMAGG DLKSFLRETR PRPSQXXSLA MLDLLHVARD IACGCQYLEE DATA SEQUENCE NHFIHRDIAA RNCLLTCPGP GRVAKIGDFG MARDIYRAXX XXXXXXXMLP DATA SEQUENCE VKWMPPEAFM EGIFTSKTDT WSFGVLLWEI FSLGYMPYPS KSNQEVLEFV DATA SEQUENCE TSGGRMDPPK NCPGPVYRIM TQCWQHQPED RPNFAIILER IEYCTQDPDV DATA SEQUENCE INTALPIEY 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 0.000 175.541 175.510 0.052 0.000 1.280 1093 N CA 0.000 53.074 53.050 0.041 0.000 0.885 1093 N CB 0.000 38.509 38.487 0.036 0.000 1.341 1094 P HA 0.259 nan 4.420 nan 0.000 0.268 1094 P C -0.773 176.592 177.300 0.109 0.000 1.205 1094 P CA 0.007 63.161 63.100 0.090 0.000 0.771 1094 P CB 0.411 32.167 31.700 0.095 0.000 0.858 1095 N N 1.678 120.464 118.700 0.142 0.000 2.405 1095 N HA 0.332 5.072 4.740 -0.000 0.000 0.299 1095 N C -1.231 174.451 175.510 0.287 0.000 1.075 1095 N CA -0.291 52.856 53.050 0.162 0.000 0.884 1095 N CB 1.550 40.105 38.487 0.113 0.000 1.194 1095 N HN 0.486 nan 8.380 nan 0.000 0.491 1096 Y N 0.164 120.522 120.300 0.097 0.000 2.477 1096 Y HA 0.485 5.034 4.550 -0.000 0.000 0.347 1096 Y C -1.183 174.781 175.900 0.107 0.000 0.981 1096 Y CA -0.753 57.402 58.100 0.093 0.000 1.033 1096 Y CB 1.211 39.607 38.460 -0.106 0.000 1.245 1096 Y HN 0.447 nan 8.280 nan 0.000 0.455 1097 C N 6.622 125.614 119.300 -0.513 0.000 2.345 1097 C HA 0.680 5.139 4.460 -0.000 0.000 0.323 1097 C C -1.090 173.518 174.990 -0.637 0.000 1.276 1097 C CA -0.933 57.827 59.018 -0.429 0.000 1.543 1097 C CB -0.198 27.479 27.740 -0.105 0.000 2.211 1097 C HN 0.771 nan 8.230 nan 0.000 0.493 1098 F N 1.612 121.227 119.950 -0.557 0.000 2.615 1098 F HA 0.602 5.129 4.527 -0.000 0.000 0.312 1098 F C 0.468 176.207 175.800 -0.102 0.000 1.119 1098 F CA 0.445 58.268 58.000 -0.295 0.000 0.979 1098 F CB 1.339 40.160 39.000 -0.299 0.000 1.266 1098 F HN 0.974 nan 8.300 nan 0.000 0.444 1099 A N 3.220 125.454 122.820 -0.978 0.000 2.790 1099 A HA 0.141 4.461 4.320 -0.000 0.000 0.277 1099 A C 1.488 178.877 177.584 -0.325 0.000 1.435 1099 A CA 2.032 53.593 52.037 -0.794 0.000 0.877 1099 A CB -2.179 16.151 19.000 -1.117 0.000 1.007 1099 A HN 2.768 nan 8.150 nan 0.000 0.613 1100 G N -1.974 106.698 108.800 -0.214 0.000 1.844 1100 G HA2 0.246 4.206 3.960 -0.000 0.000 0.177 1100 G HA3 0.246 4.206 3.960 -0.000 0.000 0.177 1100 G C -0.070 174.777 174.900 -0.089 0.000 1.010 1100 G CA 0.537 45.567 45.100 -0.117 0.000 1.257 1100 G HN 1.229 nan 8.290 nan 0.000 0.428 1101 K N 1.215 121.578 120.400 -0.062 0.000 2.118 1101 K HA 0.709 5.029 4.320 -0.000 0.000 0.240 1101 K C 0.324 176.899 176.600 -0.041 0.000 1.035 1101 K CA 0.395 56.659 56.287 -0.039 0.000 0.899 1101 K CB 0.396 32.885 32.500 -0.018 0.000 1.085 1101 K HN 0.518 nan 8.250 nan 0.000 0.498 1102 T N 0.866 115.408 114.554 -0.020 0.000 2.909 1102 T HA 0.365 4.715 4.350 -0.000 0.000 0.286 1102 T C -0.530 174.183 174.700 0.022 0.000 1.002 1102 T CA -0.642 61.452 62.100 -0.010 0.000 1.074 1102 T CB 0.887 69.763 68.868 0.013 0.000 0.984 1102 T HN 0.621 nan 8.240 nan 0.000 0.495 1103 S N 1.150 116.884 115.700 0.058 0.000 2.593 1103 S HA 0.773 5.243 4.470 -0.000 0.000 0.297 1103 S C -0.319 174.332 174.600 0.085 0.000 1.112 1103 S CA -0.815 57.437 58.200 0.086 0.000 1.043 1103 S CB 1.796 65.087 63.200 0.151 0.000 1.054 1103 S HN 0.585 nan 8.310 nan 0.000 0.516 1104 S N 0.713 116.446 115.700 0.055 0.000 2.599 1104 S HA 0.482 4.952 4.470 -0.000 0.000 0.294 1104 S C 1.094 175.710 174.600 0.028 0.000 1.094 1104 S CA -1.018 57.210 58.200 0.045 0.000 0.931 1104 S CB 0.535 63.756 63.200 0.035 0.000 1.093 1104 S HN 0.611 nan 8.310 nan 0.000 0.488 1105 I N 2.821 123.406 120.570 0.026 0.000 2.315 1105 I HA -0.100 4.070 4.170 -0.000 0.000 0.251 1105 I C 2.245 178.369 176.117 0.011 0.000 1.125 1105 I CA 1.367 62.675 61.300 0.014 0.000 1.392 1105 I CB -2.063 35.951 38.000 0.022 0.000 1.065 1105 I HN 0.546 nan 8.210 nan 0.000 0.424 1106 S N 0.593 116.302 115.700 0.015 0.000 2.447 1106 S HA -0.120 4.350 4.470 -0.000 0.000 0.233 1106 S C 1.450 176.055 174.600 0.009 0.000 1.006 1106 S CA 0.873 59.081 58.200 0.012 0.000 0.957 1106 S CB -0.220 62.988 63.200 0.014 0.000 0.773 1106 S HN 0.484 nan 8.310 nan 0.000 0.507 1107 D N 1.222 121.627 120.400 0.009 0.000 2.269 1107 D HA 0.065 4.705 4.640 -0.000 0.000 0.208 1107 D C 0.495 176.793 176.300 -0.003 0.000 0.963 1107 D CA 0.294 54.297 54.000 0.006 0.000 0.864 1107 D CB -0.145 40.662 40.800 0.012 0.000 0.936 1107 D HN 0.351 nan 8.370 nan 0.000 0.505 1108 L N 1.297 122.515 121.223 -0.010 0.000 2.453 1108 L HA 0.029 4.369 4.340 -0.000 0.000 0.272 1108 L C 0.771 177.636 176.870 -0.007 0.000 1.182 1108 L CA -0.464 54.364 54.840 -0.019 0.000 0.858 1108 L CB 0.330 42.373 42.059 -0.027 0.000 1.120 1108 L HN -0.275 nan 8.230 nan 0.000 0.474 1109 K N 3.226 123.621 120.400 -0.008 0.000 2.315 1109 K HA 0.037 4.357 4.320 -0.000 0.000 0.291 1109 K C -0.325 176.281 176.600 0.009 0.000 1.074 1109 K CA -0.092 56.196 56.287 0.001 0.000 0.936 1109 K CB 0.359 32.859 32.500 -0.000 0.000 1.049 1109 K HN 0.363 nan 8.250 nan 0.000 0.471 1110 E N 3.494 123.702 120.200 0.012 0.000 2.223 1110 E HA 0.162 4.512 4.350 -0.000 0.000 0.282 1110 E C -1.159 175.454 176.600 0.023 0.000 1.046 1110 E CA -0.474 55.938 56.400 0.020 0.000 0.857 1110 E CB 0.595 30.304 29.700 0.015 0.000 1.055 1110 E HN 0.334 nan 8.360 nan 0.000 0.409 1111 V N 8.319 128.254 119.914 0.036 0.000 2.407 1111 V HA 0.340 4.460 4.120 -0.000 0.000 0.278 1111 V C -1.931 174.185 176.094 0.038 0.000 1.037 1111 V CA -1.861 60.463 62.300 0.039 0.000 0.900 1111 V CB 1.178 33.034 31.823 0.055 0.000 0.983 1111 V HN 0.793 nan 8.190 nan 0.000 0.459 1112 P HA 0.065 nan 4.420 nan 0.000 0.264 1112 P C 0.387 177.702 177.300 0.026 0.000 1.193 1112 P CA -0.189 62.921 63.100 0.017 0.000 0.763 1112 P CB 0.895 32.601 31.700 0.011 0.000 0.810 1113 R N 5.578 126.084 120.500 0.009 0.000 2.127 1113 R HA -0.183 4.157 4.340 -0.000 0.000 0.238 1113 R C 2.047 178.366 176.300 0.031 0.000 1.134 1113 R CA 2.055 58.163 56.100 0.015 0.000 0.975 1113 R CB -0.779 29.491 30.300 -0.050 0.000 0.865 1113 R HN 0.504 nan 8.270 nan 0.000 0.447 1114 K N -0.750 119.658 120.400 0.014 0.000 2.209 1114 K HA -0.120 4.200 4.320 -0.000 0.000 0.204 1114 K C 1.133 177.746 176.600 0.022 0.000 1.048 1114 K CA 1.939 58.234 56.287 0.014 0.000 0.940 1114 K CB -0.366 32.137 32.500 0.005 0.000 0.729 1114 K HN 0.343 nan 8.250 nan 0.000 0.451 1115 N N 0.488 119.205 118.700 0.029 0.000 2.515 1115 N HA 0.104 4.844 4.740 -0.000 0.000 0.185 1115 N C -0.149 175.384 175.510 0.037 0.000 1.109 1115 N CA 0.043 53.110 53.050 0.028 0.000 0.903 1115 N CB 0.137 38.639 38.487 0.026 0.000 0.969 1115 N HN 0.171 nan 8.380 nan 0.000 0.450 1116 I N 0.922 121.528 120.570 0.059 0.000 2.354 1116 I HA 0.186 4.356 4.170 -0.000 0.000 0.292 1116 I C -0.425 175.722 176.117 0.051 0.000 0.989 1116 I CA -0.303 61.039 61.300 0.071 0.000 1.188 1116 I CB 1.812 39.907 38.000 0.158 0.000 1.342 1116 I HN -0.171 nan 8.210 nan 0.000 0.457 1117 T N 6.790 121.351 114.554 0.011 0.000 2.812 1117 T HA 0.454 4.804 4.350 -0.000 0.000 0.282 1117 T C -0.349 174.321 174.700 -0.049 0.000 0.990 1117 T CA -0.542 61.552 62.100 -0.010 0.000 0.960 1117 T CB 1.409 70.273 68.868 -0.006 0.000 0.948 1117 T HN 0.086 nan 8.240 nan 0.000 0.438 1118 L N 4.262 125.432 121.223 -0.089 0.000 2.349 1118 L HA 0.343 4.682 4.340 -0.000 0.000 0.275 1118 L C 0.951 177.793 176.870 -0.047 0.000 1.115 1118 L CA -0.078 54.680 54.840 -0.136 0.000 0.820 1118 L CB 0.371 42.230 42.059 -0.333 0.000 1.135 1118 L HN 0.617 nan 8.230 nan 0.000 0.445 1119 I N 1.957 122.533 120.570 0.009 0.000 2.899 1119 I HA 0.197 4.367 4.170 -0.000 0.000 0.257 1119 I C 0.677 176.836 176.117 0.071 0.000 1.115 1119 I CA 0.720 62.039 61.300 0.031 0.000 1.451 1119 I CB -0.195 37.819 38.000 0.024 0.000 1.251 1119 I HN 0.709 nan 8.210 nan 0.000 0.456 1120 R N -0.178 120.398 120.500 0.127 0.000 2.663 1120 R HA 0.585 4.925 4.340 -0.000 0.000 0.267 1120 R C -0.232 176.159 176.300 0.152 0.000 1.038 1120 R CA -0.731 55.447 56.100 0.131 0.000 0.886 1120 R CB 0.717 31.049 30.300 0.053 0.000 1.249 1120 R HN -0.026 nan 8.270 nan 0.000 0.463 1121 G N 0.713 109.529 108.800 0.027 0.000 2.544 1121 G HA2 0.354 4.314 3.960 -0.000 0.000 0.242 1121 G HA3 0.354 4.314 3.960 -0.000 0.000 0.242 1121 G C -0.131 174.662 174.900 -0.178 0.000 1.247 1121 G CA -0.585 44.348 45.100 -0.278 0.000 0.840 1121 G HN 0.323 nan 8.290 nan 0.000 0.578 1122 L N 1.003 122.086 121.223 -0.233 0.000 2.858 1122 L HA 0.441 4.781 4.340 -0.000 0.000 0.251 1122 L C 1.275 178.075 176.870 -0.116 0.000 1.149 1122 L CA 0.913 55.678 54.840 -0.125 0.000 0.955 1122 L CB -0.255 41.748 42.059 -0.093 0.000 1.289 1122 L HN 1.211 nan 8.230 nan 0.000 0.542 1127 F N 1.756 121.729 119.950 0.039 0.000 2.451 1127 F HA 0.521 5.048 4.527 -0.000 0.000 0.356 1127 F C 0.758 176.592 175.800 0.056 0.000 1.178 1127 F CA 1.414 59.440 58.000 0.042 0.000 1.210 1127 F CB -0.110 38.918 39.000 0.048 0.000 1.504 1127 F HN 1.744 nan 8.300 nan 0.000 0.598 1128 G N 4.018 112.644 108.800 -0.291 0.000 2.440 1128 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.684 1128 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.684 1128 G C -1.543 173.309 174.900 -0.081 0.000 1.309 1128 G CA -1.164 43.793 45.100 -0.237 0.000 0.931 1128 G HN 0.523 nan 8.290 nan 0.000 0.612 1129 E N -1.498 118.680 120.200 -0.037 0.000 2.232 1129 E HA 0.689 5.039 4.350 -0.000 0.000 0.264 1129 E C -0.542 176.019 176.600 -0.066 0.000 0.973 1129 E CA -1.003 55.349 56.400 -0.079 0.000 0.849 1129 E CB 2.575 32.234 29.700 -0.068 0.000 1.198 1129 E HN 0.460 nan 8.360 nan 0.000 0.407 1130 V N 1.986 121.759 119.914 -0.234 0.000 2.588 1130 V HA 0.384 4.504 4.120 -0.000 0.000 0.304 1130 V C -1.312 174.566 176.094 -0.361 0.000 1.042 1130 V CA -0.811 61.394 62.300 -0.158 0.000 0.877 1130 V CB 0.776 32.546 31.823 -0.089 0.000 0.996 1130 V HN 0.573 nan 8.190 nan 0.000 0.425 1131 Y N 1.050 121.296 120.300 -0.090 0.000 2.524 1131 Y HA 0.493 5.043 4.550 0.000 0.000 0.344 1131 Y C 0.313 176.160 175.900 -0.089 0.000 1.012 1131 Y CA -0.806 57.237 58.100 -0.095 0.000 1.068 1131 Y CB 1.768 40.144 38.460 -0.140 0.000 1.249 1131 Y HN 0.661 nan 8.280 nan 0.000 0.468 1132 E N 0.935 121.191 120.200 0.092 0.000 2.313 1132 E HA 0.549 4.899 4.350 -0.000 0.000 0.276 1132 E C -0.469 176.151 176.600 0.033 0.000 1.031 1132 E CA -0.227 56.198 56.400 0.041 0.000 0.857 1132 E CB 0.749 30.465 29.700 0.026 0.000 1.040 1132 E HN 0.860 nan 8.360 nan 0.000 0.408 1133 G N 2.827 111.623 108.800 -0.006 0.000 2.725 1133 G HA2 0.386 4.346 3.960 -0.000 0.000 0.288 1133 G HA3 0.386 4.346 3.960 -0.000 0.000 0.288 1133 G C -1.411 173.477 174.900 -0.020 0.000 1.399 1133 G CA -0.558 44.523 45.100 -0.032 0.000 0.859 1133 G HN 0.536 nan 8.290 nan 0.000 0.479 1134 Q N -1.001 118.788 119.800 -0.018 0.000 2.397 1134 Q HA 0.659 4.999 4.340 -0.000 0.000 0.275 1134 Q C -1.301 174.698 176.000 -0.001 0.000 1.090 1134 Q CA -0.885 54.914 55.803 -0.007 0.000 0.809 1134 Q CB 3.275 32.010 28.738 -0.004 0.000 1.362 1134 Q HN 0.498 nan 8.270 nan 0.000 0.431 1135 V N -0.063 119.854 119.914 0.004 0.000 3.102 1135 V HA 1.006 5.126 4.120 -0.000 0.000 0.312 1135 V C -1.238 174.862 176.094 0.009 0.000 1.135 1135 V CA 0.298 62.605 62.300 0.012 0.000 1.022 1135 V CB 1.979 33.812 31.823 0.017 0.000 1.056 1135 V HN 1.091 nan 8.190 nan 0.000 0.436 1145 L N 2.160 123.383 121.223 -0.001 0.000 2.361 1145 L HA 0.277 4.617 4.340 -0.000 0.000 0.278 1145 L C 0.780 177.648 176.870 -0.004 0.000 1.113 1145 L CA 0.349 55.188 54.840 -0.003 0.000 0.849 1145 L CB 0.510 42.568 42.059 -0.002 0.000 1.155 1145 L HN 0.336 nan 8.230 nan 0.000 0.452 1146 Q N 4.129 123.926 119.800 -0.005 0.000 2.267 1146 Q HA 0.604 4.944 4.340 -0.000 0.000 0.255 1146 Q C -1.149 174.846 176.000 -0.008 0.000 0.923 1146 Q CA -0.705 55.094 55.803 -0.006 0.000 0.925 1146 Q CB 1.673 30.408 28.738 -0.005 0.000 1.195 1146 Q HN 0.423 nan 8.270 nan 0.000 0.417 1147 V N 0.913 120.821 119.914 -0.011 0.000 3.102 1147 V HA 0.770 4.890 4.120 -0.000 0.000 0.312 1147 V C -0.783 175.302 176.094 -0.016 0.000 1.135 1147 V CA -1.015 61.277 62.300 -0.014 0.000 1.022 1147 V CB 2.093 33.906 31.823 -0.016 0.000 1.056 1147 V HN 0.962 nan 8.190 nan 0.000 0.436 1148 A N 1.637 124.448 122.820 -0.015 0.000 2.292 1148 A HA 0.794 5.114 4.320 -0.000 0.000 0.319 1148 A C -0.836 176.733 177.584 -0.025 0.000 1.206 1148 A CA -0.455 51.574 52.037 -0.013 0.000 0.835 1148 A CB 1.129 20.125 19.000 -0.006 0.000 1.164 1148 A HN 0.717 nan 8.150 nan 0.000 0.505 1149 V N 3.354 123.245 119.914 -0.039 0.000 2.334 1149 V HA 0.310 4.430 4.120 -0.000 0.000 0.281 1149 V C 0.238 176.324 176.094 -0.013 0.000 1.016 1149 V CA -0.574 61.658 62.300 -0.113 0.000 0.832 1149 V CB 1.119 32.719 31.823 -0.371 0.000 0.999 1149 V HN 0.906 nan 8.190 nan 0.000 0.439 1150 K N 3.685 124.124 120.400 0.066 0.000 2.227 1150 K HA 0.543 4.863 4.320 -0.000 0.000 0.280 1150 K C 0.165 176.980 176.600 0.359 0.000 1.041 1150 K CA -0.283 56.112 56.287 0.181 0.000 0.905 1150 K CB 1.079 33.684 32.500 0.176 0.000 1.068 1150 K HN 0.849 nan 8.250 nan 0.000 0.470 1151 T N 1.640 116.376 114.554 0.304 0.000 2.895 1151 T HA 0.399 4.749 4.350 -0.000 0.000 0.283 1151 T C -0.589 174.107 174.700 -0.007 0.000 1.014 1151 T CA -1.056 61.219 62.100 0.292 0.000 1.037 1151 T CB 1.210 70.252 68.868 0.289 0.000 1.006 1151 T HN 0.400 nan 8.240 nan 0.000 0.468 1152 L N 3.558 124.537 121.223 -0.406 0.000 2.275 1152 L HA 0.560 4.899 4.340 -0.000 0.000 0.288 1152 L C -2.594 174.055 176.870 -0.368 0.000 1.046 1152 L CA -2.255 52.192 54.840 -0.656 0.000 0.805 1152 L CB 0.722 42.057 42.059 -1.207 0.000 1.193 1152 L HN 0.475 nan 8.230 nan 0.000 0.426 1153 P HA 0.060 nan 4.420 nan 0.000 0.263 1153 P C 0.044 177.245 177.300 -0.165 0.000 1.195 1153 P CA 0.148 63.059 63.100 -0.315 0.000 0.762 1153 P CB 0.465 31.851 31.700 -0.524 0.000 0.799 1154 E N 1.634 121.766 120.200 -0.115 0.000 2.153 1154 E HA -0.092 4.258 4.350 -0.000 0.000 0.194 1154 E C 0.620 177.200 176.600 -0.034 0.000 0.988 1154 E CA 1.073 57.428 56.400 -0.075 0.000 0.811 1154 E CB -0.036 29.626 29.700 -0.063 0.000 0.746 1154 E HN 0.359 nan 8.360 nan 0.000 0.466 1155 V N 0.594 120.495 119.914 -0.022 0.000 2.223 1155 V HA 0.242 4.362 4.120 -0.000 0.000 0.249 1155 V C 0.153 176.300 176.094 0.088 0.000 1.233 1155 V CA -0.909 61.404 62.300 0.021 0.000 1.131 1155 V CB -1.038 30.796 31.823 0.018 0.000 1.298 1155 V HN 0.247 nan 8.190 nan 0.000 0.498 1156 C N 2.090 121.455 119.300 0.108 0.000 3.236 1156 C HA 0.953 5.412 4.460 -0.000 0.000 0.312 1156 C C 0.501 175.552 174.990 0.103 0.000 1.374 1156 C CA 0.062 59.204 59.018 0.207 0.000 1.455 1156 C CB 1.399 29.335 27.740 0.326 0.000 1.834 1156 C HN 1.029 nan 8.230 nan 0.000 0.460 1157 S N 0.583 116.327 115.700 0.073 0.000 2.669 1157 S HA 0.381 4.850 4.470 -0.000 0.000 0.270 1157 S C 0.701 175.321 174.600 0.032 0.000 1.225 1157 S CA -0.028 58.190 58.200 0.031 0.000 0.991 1157 S CB 0.658 63.856 63.200 -0.002 0.000 0.987 1157 S HN 0.837 nan 8.310 nan 0.000 0.552 1158 E N 0.283 120.497 120.200 0.023 0.000 2.150 1158 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 1158 E C 1.898 178.517 176.600 0.031 0.000 0.985 1158 E CA 1.099 57.516 56.400 0.028 0.000 0.814 1158 E CB -0.417 29.296 29.700 0.021 0.000 0.752 1158 E HN 0.785 nan 8.360 nan 0.000 0.466 1159 Q N 1.185 120.994 119.800 0.016 0.000 2.119 1159 Q HA -0.121 4.219 4.340 -0.000 0.000 0.201 1159 Q C 1.383 177.391 176.000 0.015 0.000 0.972 1159 Q CA 1.375 57.184 55.803 0.011 0.000 0.847 1159 Q CB -0.030 28.702 28.738 -0.011 0.000 0.903 1159 Q HN 0.114 nan 8.270 nan 0.000 0.433 1160 D N 0.186 120.585 120.400 -0.002 0.000 2.123 1160 D HA -0.167 4.472 4.640 -0.000 0.000 0.196 1160 D C 1.660 178.037 176.300 0.128 0.000 0.992 1160 D CA 1.136 55.146 54.000 0.016 0.000 0.833 1160 D CB -0.056 40.757 40.800 0.021 0.000 0.954 1160 D HN 0.358 nan 8.370 nan 0.000 0.455 1161 E N 0.502 120.766 120.200 0.107 0.000 2.070 1161 E HA -0.143 4.207 4.350 -0.000 0.000 0.197 1161 E C 2.514 179.212 176.600 0.164 0.000 1.004 1161 E CA 0.559 57.034 56.400 0.125 0.000 0.805 1161 E CB -0.312 29.433 29.700 0.075 0.000 0.744 1161 E HN 0.369 nan 8.360 nan 0.000 0.451 1162 L N 1.036 122.327 121.223 0.113 0.000 2.072 1162 L HA -0.164 4.176 4.340 -0.000 0.000 0.205 1162 L C 2.163 179.097 176.870 0.107 0.000 1.079 1162 L CA 0.864 55.765 54.840 0.101 0.000 0.752 1162 L CB -0.457 41.647 42.059 0.074 0.000 0.906 1162 L HN -0.006 nan 8.230 nan 0.000 0.436 1163 D N 0.161 120.627 120.400 0.110 0.000 2.116 1163 D HA -0.255 4.385 4.640 -0.000 0.000 0.193 1163 D C 1.938 178.321 176.300 0.138 0.000 0.998 1163 D CA 1.503 55.566 54.000 0.103 0.000 0.836 1163 D CB -0.262 40.591 40.800 0.090 0.000 0.951 1163 D HN 0.192 nan 8.370 nan 0.000 0.449 1164 F N 1.104 121.087 119.950 0.055 0.000 2.134 1164 F HA -0.166 4.361 4.527 -0.001 0.000 0.299 1164 F C 2.144 177.958 175.800 0.024 0.000 1.097 1164 F CA 0.766 58.806 58.000 0.066 0.000 1.264 1164 F CB -0.306 38.756 39.000 0.103 0.000 1.001 1164 F HN -0.087 nan 8.300 nan 0.000 0.479 1165 L N -0.010 121.298 121.223 0.143 0.000 2.083 1165 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 1165 L C 2.215 179.024 176.870 -0.102 0.000 1.083 1165 L CA 1.915 56.764 54.840 0.015 0.000 0.752 1165 L CB -0.991 41.112 42.059 0.073 0.000 0.899 1165 L HN 0.310 nan 8.230 nan 0.000 0.433 1166 M N 0.040 119.591 119.600 -0.082 0.000 2.175 1166 M HA -0.158 4.322 4.480 -0.000 0.000 0.264 1166 M C 2.101 178.216 176.300 -0.307 0.000 1.063 1166 M CA 1.921 57.117 55.300 -0.174 0.000 1.119 1166 M CB -0.486 32.068 32.600 -0.078 0.000 1.377 1166 M HN 0.576 nan 8.290 nan 0.000 0.415 1167 E N -0.912 119.146 120.200 -0.237 0.000 2.152 1167 E HA -0.085 4.265 4.350 -0.000 0.000 0.192 1167 E C 1.911 178.311 176.600 -0.334 0.000 0.983 1167 E CA 1.139 57.386 56.400 -0.255 0.000 0.818 1167 E CB -0.670 28.939 29.700 -0.151 0.000 0.758 1167 E HN 0.502 nan 8.360 nan 0.000 0.467 1168 A N 1.582 124.192 122.820 -0.350 0.000 1.877 1168 A HA -0.144 4.175 4.320 -0.000 0.000 0.216 1168 A C 2.199 179.587 177.584 -0.327 0.000 1.186 1168 A CA 1.235 53.083 52.037 -0.315 0.000 0.620 1168 A CB -0.518 18.317 19.000 -0.275 0.000 0.822 1168 A HN 0.183 nan 8.150 nan 0.000 0.443 1169 L N -0.188 120.819 121.223 -0.360 0.000 2.017 1169 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 1169 L C 2.442 178.908 176.870 -0.673 0.000 1.073 1169 L CA 1.535 56.133 54.840 -0.403 0.000 0.745 1169 L CB -0.820 41.011 42.059 -0.380 0.000 0.894 1169 L HN 0.398 nan 8.230 nan 0.000 0.432 1170 I N -0.917 119.079 120.570 -0.957 0.000 2.127 1170 I HA -0.340 3.830 4.170 -0.000 0.000 0.241 1170 I C 2.390 177.791 176.117 -1.192 0.000 1.075 1170 I CA 1.515 62.074 61.300 -1.235 0.000 1.334 1170 I CB -0.274 37.163 38.000 -0.938 0.000 1.040 1170 I HN 0.167 nan 8.210 nan 0.000 0.405 1171 I N -0.010 120.098 120.570 -0.771 0.000 2.315 1171 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 1171 I C 2.483 178.353 176.117 -0.412 0.000 1.117 1171 I CA 1.113 62.088 61.300 -0.542 0.000 1.404 1171 I CB -0.315 37.523 38.000 -0.269 0.000 1.071 1171 I HN 0.149 nan 8.210 nan 0.000 0.419 1172 S N 0.410 115.886 115.700 -0.372 0.000 2.447 1172 S HA -0.088 4.382 4.470 -0.000 0.000 0.233 1172 S C 1.774 176.240 174.600 -0.223 0.000 1.006 1172 S CA 1.000 59.062 58.200 -0.231 0.000 0.957 1172 S CB -0.042 63.053 63.200 -0.176 0.000 0.773 1172 S HN 0.278 nan 8.310 nan 0.000 0.507 1173 K N 0.440 120.606 120.400 -0.391 0.000 2.400 1173 K HA 0.249 4.568 4.320 -0.000 0.000 0.194 1173 K C -0.206 176.244 176.600 -0.250 0.000 1.033 1173 K CA -0.009 56.116 56.287 -0.270 0.000 1.021 1173 K CB -0.223 32.168 32.500 -0.181 0.000 0.808 1173 K HN 0.269 nan 8.250 nan 0.000 0.505 1174 F N 1.356 121.142 119.950 -0.273 0.000 2.389 1174 F HA 0.204 4.731 4.527 -0.000 0.000 0.337 1174 F C 0.866 176.656 175.800 -0.017 0.000 1.112 1174 F CA -1.160 56.762 58.000 -0.130 0.000 1.192 1174 F CB 0.320 39.153 39.000 -0.279 0.000 1.185 1174 F HN -0.087 nan 8.300 nan 0.000 0.552 1175 N N 2.085 120.947 118.700 0.271 0.000 2.690 1175 N HA 0.145 4.885 4.740 -0.000 0.000 0.255 1175 N C -1.631 173.768 175.510 -0.184 0.000 1.195 1175 N CA -0.222 52.860 53.050 0.053 0.000 0.790 1175 N CB 0.191 38.745 38.487 0.113 0.000 1.216 1175 N HN 0.655 nan 8.380 nan 0.000 0.528 1176 H N 1.135 119.958 119.070 -0.411 0.000 3.046 1176 H HA 0.140 4.696 4.556 -0.000 0.000 0.363 1176 H C -0.293 174.859 175.328 -0.294 0.000 1.203 1176 H CA -0.253 55.471 56.048 -0.540 0.000 1.169 1176 H CB 2.042 31.122 29.762 -1.137 0.000 1.851 1176 H HN 0.506 nan 8.280 nan 0.000 0.546 1177 Q N 2.535 121.957 119.800 -0.630 0.000 2.364 1177 Q HA -0.043 4.297 4.340 -0.000 0.000 0.207 1177 Q C -0.176 175.753 176.000 -0.118 0.000 0.970 1177 Q CA 1.327 56.944 55.803 -0.309 0.000 0.888 1177 Q CB 0.232 28.777 28.738 -0.321 0.000 0.951 1177 Q HN 0.557 nan 8.270 nan 0.000 0.469 1178 N N -0.475 118.273 118.700 0.081 0.000 2.251 1178 N HA 0.264 5.004 4.740 -0.000 0.000 0.217 1178 N C -1.034 174.505 175.510 0.049 0.000 1.124 1178 N CA -0.100 53.010 53.050 0.100 0.000 0.843 1178 N CB 0.875 39.450 38.487 0.147 0.000 1.024 1178 N HN 0.089 nan 8.380 nan 0.000 0.501 1179 I N 0.751 121.335 120.570 0.024 0.000 2.498 1179 I HA 0.255 4.425 4.170 -0.000 0.000 0.290 1179 I C -0.130 176.002 176.117 0.025 0.000 1.032 1179 I CA -1.171 60.135 61.300 0.009 0.000 1.073 1179 I CB 2.226 40.172 38.000 -0.090 0.000 1.251 1179 I HN -0.240 nan 8.210 nan 0.000 0.426 1180 V N 6.390 126.347 119.914 0.071 0.000 2.694 1180 V HA 0.046 4.166 4.120 -0.000 0.000 0.306 1180 V C 0.702 176.816 176.094 0.033 0.000 1.054 1180 V CA -0.231 62.097 62.300 0.048 0.000 1.161 1180 V CB -0.058 31.806 31.823 0.069 0.000 0.916 1180 V HN 0.600 nan 8.190 nan 0.000 0.490 1181 R N 2.426 122.928 120.500 0.003 0.000 2.539 1181 R HA 0.272 4.612 4.340 -0.000 0.000 0.275 1181 R C -0.211 176.080 176.300 -0.015 0.000 1.077 1181 R CA -0.346 55.748 56.100 -0.010 0.000 1.097 1181 R CB 0.565 30.853 30.300 -0.020 0.000 1.018 1181 R HN 0.772 nan 8.270 nan 0.000 0.483 1182 C N 4.663 123.943 119.300 -0.032 0.000 2.285 1182 C HA 0.377 4.836 4.460 -0.000 0.000 0.335 1182 C C 1.982 176.952 174.990 -0.032 0.000 1.267 1182 C CA -0.641 58.352 59.018 -0.043 0.000 1.762 1182 C CB -1.002 26.690 27.740 -0.080 0.000 2.365 1182 C HN 0.886 nan 8.230 nan 0.000 0.527 1183 I N 4.432 124.990 120.570 -0.020 0.000 2.584 1183 I HA 0.249 4.419 4.170 -0.000 0.000 0.255 1183 I C 1.523 177.636 176.117 -0.006 0.000 1.145 1183 I CA 1.318 62.612 61.300 -0.011 0.000 1.462 1183 I CB -0.279 37.719 38.000 -0.004 0.000 1.102 1183 I HN 0.925 nan 8.210 nan 0.000 0.433 1184 G N 0.133 108.930 108.800 -0.005 0.000 2.333 1184 G HA2 0.371 4.331 3.960 -0.000 0.000 0.288 1184 G HA3 0.371 4.331 3.960 -0.000 0.000 0.288 1184 G C -1.488 173.424 174.900 0.020 0.000 1.286 1184 G CA -0.031 45.071 45.100 0.003 0.000 0.865 1184 G HN 0.043 nan 8.290 nan 0.000 0.506 1185 V N -3.152 116.785 119.914 0.038 0.000 3.040 1185 V HA 0.935 5.055 4.120 -0.000 0.000 0.312 1185 V C -0.238 175.920 176.094 0.106 0.000 1.115 1185 V CA -0.228 62.120 62.300 0.080 0.000 0.998 1185 V CB 1.774 33.626 31.823 0.049 0.000 1.042 1185 V HN 1.709 nan 8.190 nan 0.000 0.433 1186 S N 1.755 117.551 115.700 0.160 0.000 2.542 1186 S HA 0.577 5.047 4.470 -0.000 0.000 0.245 1186 S C 0.127 174.746 174.600 0.032 0.000 1.325 1186 S CA -0.599 57.651 58.200 0.083 0.000 1.176 1186 S CB 0.078 63.332 63.200 0.090 0.000 1.045 1186 S HN 0.744 nan 8.310 nan 0.000 0.481 1187 L N 3.265 124.511 121.223 0.038 0.000 2.638 1187 L HA 0.280 4.620 4.340 -0.000 0.000 0.232 1187 L C 1.874 178.738 176.870 -0.009 0.000 1.099 1187 L CA 0.187 55.054 54.840 0.044 0.000 0.883 1187 L CB 0.039 42.148 42.059 0.083 0.000 1.136 1187 L HN 0.540 nan 8.230 nan 0.000 0.492 1188 Q N -0.437 119.347 119.800 -0.027 0.000 2.360 1188 Q HA 0.163 4.503 4.340 -0.000 0.000 0.202 1188 Q C -0.039 175.922 176.000 -0.065 0.000 0.915 1188 Q CA 0.040 55.823 55.803 -0.034 0.000 0.943 1188 Q CB 0.711 29.436 28.738 -0.021 0.000 1.064 1188 Q HN 0.228 nan 8.270 nan 0.000 0.511 1189 S N 0.042 115.675 115.700 -0.111 0.000 2.599 1189 S HA 0.577 5.047 4.470 -0.000 0.000 0.287 1189 S C -0.888 173.582 174.600 -0.217 0.000 1.105 1189 S CA -0.735 57.373 58.200 -0.153 0.000 0.899 1189 S CB 1.490 64.584 63.200 -0.178 0.000 1.100 1189 S HN 0.110 nan 8.310 nan 0.000 0.482 1190 L N 2.894 123.999 121.223 -0.196 0.000 2.325 1190 L HA 0.570 4.910 4.340 -0.000 0.000 0.278 1190 L C -2.112 174.618 176.870 -0.234 0.000 1.023 1190 L CA -1.969 52.749 54.840 -0.203 0.000 0.811 1190 L CB 0.858 42.841 42.059 -0.127 0.000 1.249 1190 L HN 0.409 nan 8.230 nan 0.000 0.431 1191 P HA 0.235 nan 4.420 nan 0.000 0.274 1191 P C -0.929 176.128 177.300 -0.406 0.000 1.237 1191 P CA -0.568 62.389 63.100 -0.238 0.000 0.793 1191 P CB 0.704 32.342 31.700 -0.102 0.000 0.977 1192 R N 0.859 121.191 120.500 -0.281 0.000 2.490 1192 R HA 0.407 4.747 4.340 -0.000 0.000 0.280 1192 R C -0.297 176.092 176.300 0.148 0.000 1.077 1192 R CA -0.075 55.921 56.100 -0.175 0.000 1.065 1192 R CB 0.175 30.410 30.300 -0.108 0.000 1.003 1192 R HN 0.373 nan 8.270 nan 0.000 0.470 1193 F N 2.292 122.368 119.950 0.209 0.000 2.508 1193 F HA 0.484 5.011 4.527 -0.000 0.000 0.325 1193 F C 0.417 176.399 175.800 0.303 0.000 1.090 1193 F CA -1.490 56.666 58.000 0.260 0.000 0.945 1193 F CB 1.093 40.164 39.000 0.118 0.000 1.156 1193 F HN 0.232 nan 8.300 nan 0.000 0.463 1194 I N 4.158 124.990 120.570 0.438 0.000 2.404 1194 I HA 0.340 4.509 4.170 -0.000 0.000 0.293 1194 I C -0.832 175.334 176.117 0.081 0.000 0.992 1194 I CA -0.616 60.746 61.300 0.102 0.000 1.149 1194 I CB 1.631 39.528 38.000 -0.172 0.000 1.315 1194 I HN 0.273 nan 8.210 nan 0.000 0.446 1195 L N 7.364 128.616 121.223 0.048 0.000 2.265 1195 L HA 0.545 4.885 4.340 -0.000 0.000 0.289 1195 L C -0.550 176.318 176.870 -0.003 0.000 1.033 1195 L CA -0.433 54.419 54.840 0.020 0.000 0.814 1195 L CB 0.900 42.978 42.059 0.032 0.000 1.203 1195 L HN 0.403 nan 8.230 nan 0.000 0.423 1196 L N 2.222 123.442 121.223 -0.006 0.000 2.330 1196 L HA 0.418 4.758 4.340 -0.000 0.000 0.271 1196 L C 0.431 177.297 176.870 -0.007 0.000 1.013 1196 L CA -0.811 54.026 54.840 -0.006 0.000 0.816 1196 L CB 1.973 44.033 42.059 0.003 0.000 1.287 1196 L HN 0.580 nan 8.230 nan 0.000 0.435 1197 E N 1.714 121.910 120.200 -0.007 0.000 2.765 1197 E HA -0.090 4.260 4.350 -0.000 0.000 0.256 1197 E C -0.879 175.715 176.600 -0.009 0.000 0.935 1197 E CA -0.368 56.026 56.400 -0.010 0.000 0.954 1197 E CB 0.668 30.361 29.700 -0.012 0.000 0.908 1197 E HN 0.300 nan 8.360 nan 0.000 0.500 1198 L N 6.395 127.611 121.223 -0.012 0.000 2.315 1198 L HA 0.146 4.486 4.340 -0.000 0.000 0.283 1198 L C -0.518 176.343 176.870 -0.015 0.000 1.089 1198 L CA 0.225 55.058 54.840 -0.011 0.000 0.833 1198 L CB 0.846 42.899 42.059 -0.010 0.000 1.170 1198 L HN 0.588 nan 8.230 nan 0.000 0.442 1199 M N 5.805 125.395 119.600 -0.016 0.000 2.152 1199 M HA 0.271 4.751 4.480 -0.000 0.000 0.354 1199 M C 1.122 177.409 176.300 -0.022 0.000 1.173 1199 M CA -0.185 55.100 55.300 -0.025 0.000 1.110 1199 M CB 0.566 33.148 32.600 -0.029 0.000 1.366 1199 M HN 0.782 nan 8.290 nan 0.000 0.415 1200 A N 2.538 125.346 122.820 -0.021 0.000 2.070 1200 A HA 0.026 4.346 4.320 -0.000 0.000 0.220 1200 A C 1.933 179.517 177.584 -0.001 0.000 1.159 1200 A CA 1.907 53.939 52.037 -0.008 0.000 0.656 1200 A CB -0.597 18.400 19.000 -0.006 0.000 0.800 1200 A HN 0.876 nan 8.150 nan 0.000 0.453 1201 G N -1.271 107.515 108.800 -0.025 0.000 2.598 1201 G HA2 0.391 4.351 3.960 -0.000 0.000 0.215 1201 G HA3 0.391 4.351 3.960 -0.000 0.000 0.215 1201 G C 1.068 175.979 174.900 0.019 0.000 1.131 1201 G CA 0.640 45.727 45.100 -0.022 0.000 0.785 1201 G HN 1.614 nan 8.290 nan 0.000 0.539 1202 G N 0.562 109.364 108.800 0.003 0.000 2.750 1202 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.228 1202 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.228 1202 G C -0.135 174.771 174.900 0.011 0.000 1.367 1202 G CA -0.076 45.036 45.100 0.020 0.000 0.871 1202 G HN 0.778 nan 8.290 nan 0.000 0.560 1203 D N -0.329 120.088 120.400 0.028 0.000 2.357 1203 D HA 0.248 4.888 4.640 -0.000 0.000 0.242 1203 D C 1.671 178.008 176.300 0.062 0.000 1.153 1203 D CA -0.068 53.947 54.000 0.025 0.000 0.918 1203 D CB 1.370 42.184 40.800 0.024 0.000 1.181 1203 D HN 0.654 nan 8.370 nan 0.000 0.435 1204 L N 1.800 123.051 121.223 0.047 0.000 2.093 1204 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 1204 L C 2.456 179.418 176.870 0.153 0.000 1.085 1204 L CA 1.726 56.618 54.840 0.086 0.000 0.755 1204 L CB -0.946 41.140 42.059 0.045 0.000 0.904 1204 L HN 0.631 nan 8.230 nan 0.000 0.435 1205 K N -0.955 119.514 120.400 0.114 0.000 2.026 1205 K HA -0.147 4.173 4.320 -0.000 0.000 0.208 1205 K C 2.034 178.692 176.600 0.096 0.000 1.048 1205 K CA 1.721 58.077 56.287 0.115 0.000 0.929 1205 K CB -0.134 32.432 32.500 0.110 0.000 0.713 1205 K HN 0.394 nan 8.250 nan 0.000 0.439 1206 S N 0.556 116.309 115.700 0.089 0.000 2.368 1206 S HA -0.152 4.318 4.470 -0.000 0.000 0.225 1206 S C 1.541 176.186 174.600 0.076 0.000 1.030 1206 S CA 1.357 59.596 58.200 0.065 0.000 0.999 1206 S CB -0.471 62.764 63.200 0.059 0.000 0.844 1206 S HN 0.420 nan 8.310 nan 0.000 0.459 1207 F N 2.424 122.367 119.950 -0.011 0.000 2.095 1207 F HA -0.111 4.416 4.527 -0.000 0.000 0.298 1207 F C 1.821 177.606 175.800 -0.025 0.000 1.104 1207 F CA 1.315 59.305 58.000 -0.017 0.000 1.232 1207 F CB -0.420 38.570 39.000 -0.016 0.000 0.987 1207 F HN 0.083 nan 8.300 nan 0.000 0.475 1208 L N -0.007 121.249 121.223 0.055 0.000 2.046 1208 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 1208 L C 2.651 179.436 176.870 -0.141 0.000 1.077 1208 L CA 1.538 56.339 54.840 -0.065 0.000 0.747 1208 L CB -0.632 41.458 42.059 0.051 0.000 0.896 1208 L HN 0.084 nan 8.230 nan 0.000 0.432 1209 R N -0.139 120.306 120.500 -0.091 0.000 2.073 1209 R HA -0.112 4.228 4.340 -0.000 0.000 0.229 1209 R C 2.035 178.253 176.300 -0.137 0.000 1.120 1209 R CA 1.116 57.153 56.100 -0.104 0.000 0.967 1209 R CB -0.178 30.079 30.300 -0.071 0.000 0.862 1209 R HN 0.436 nan 8.270 nan 0.000 0.436 1210 E N -0.571 119.533 120.200 -0.160 0.000 2.358 1210 E HA -0.074 4.275 4.350 -0.000 0.000 0.195 1210 E C 1.145 177.600 176.600 -0.241 0.000 1.010 1210 E CA 0.842 57.142 56.400 -0.167 0.000 0.856 1210 E CB 0.271 29.894 29.700 -0.129 0.000 0.795 1210 E HN 0.096 nan 8.360 nan 0.000 0.504 1211 T N -0.018 114.311 114.554 -0.375 0.000 3.044 1211 T HA 0.110 4.460 4.350 -0.000 0.000 0.260 1211 T C 0.280 174.811 174.700 -0.282 0.000 1.019 1211 T CA -0.319 61.520 62.100 -0.435 0.000 0.921 1211 T CB 0.160 68.477 68.868 -0.919 0.000 1.053 1211 T HN -0.049 nan 8.240 nan 0.000 0.533 1212 R N 2.434 122.809 120.500 -0.208 0.000 2.638 1212 R HA 0.109 4.449 4.340 -0.000 0.000 0.268 1212 R C -2.535 173.701 176.300 -0.108 0.000 1.006 1212 R CA -0.938 55.081 56.100 -0.135 0.000 1.088 1212 R CB -0.180 30.060 30.300 -0.100 0.000 0.950 1212 R HN 0.219 nan 8.270 nan 0.000 0.419 1213 P HA -0.070 nan 4.420 nan 0.000 0.261 1213 P C -0.673 176.595 177.300 -0.053 0.000 1.183 1213 P CA 0.443 63.505 63.100 -0.063 0.000 0.761 1213 P CB 0.394 32.064 31.700 -0.049 0.000 0.785 1214 R N 5.910 126.380 120.500 -0.050 0.000 2.459 1214 R HA 0.363 4.703 4.340 -0.000 0.000 0.281 1214 R C -1.758 174.524 176.300 -0.031 0.000 1.050 1214 R CA -1.737 54.338 56.100 -0.042 0.000 1.055 1214 R CB -0.167 30.108 30.300 -0.042 0.000 1.045 1214 R HN 0.241 nan 8.270 nan 0.000 0.495 1215 P HA -0.206 nan 4.420 nan 0.000 0.222 1215 P C 1.065 178.354 177.300 -0.018 0.000 1.147 1215 P CA 1.370 64.458 63.100 -0.020 0.000 0.790 1215 P CB 0.139 31.829 31.700 -0.017 0.000 0.780 1216 S N -1.469 114.219 115.700 -0.020 0.000 2.343 1216 S HA 0.058 4.527 4.470 -0.000 0.000 0.219 1216 S C 1.195 175.785 174.600 -0.017 0.000 1.033 1216 S CA 1.603 59.793 58.200 -0.018 0.000 1.014 1216 S CB -1.057 62.132 63.200 -0.019 0.000 0.915 1216 S HN 0.479 nan 8.310 nan 0.000 0.435 1221 L N 1.364 122.565 121.223 -0.036 0.000 2.789 1221 L HA 0.818 5.158 4.340 -0.000 0.000 0.254 1221 L C -0.966 175.882 176.870 -0.037 0.000 0.952 1221 L CA 0.505 55.329 54.840 -0.027 0.000 0.942 1221 L CB 1.285 43.315 42.059 -0.047 0.000 1.502 1221 L HN 1.230 nan 8.230 nan 0.000 0.425 1222 A N 2.795 125.593 122.820 -0.037 0.000 2.437 1222 A HA 0.707 5.027 4.320 -0.000 0.000 0.292 1222 A C 0.474 178.020 177.584 -0.063 0.000 1.173 1222 A CA -0.171 51.840 52.037 -0.044 0.000 0.785 1222 A CB 1.373 20.352 19.000 -0.036 0.000 1.351 1222 A HN 0.859 nan 8.150 nan 0.000 0.431 1223 M N -0.140 119.435 119.600 -0.041 0.000 2.149 1223 M HA -0.113 4.367 4.480 -0.000 0.000 0.261 1223 M C 1.592 177.864 176.300 -0.047 0.000 1.064 1223 M CA 1.725 57.018 55.300 -0.011 0.000 1.102 1223 M CB -0.815 31.820 32.600 0.058 0.000 1.369 1223 M HN 0.746 nan 8.290 nan 0.000 0.408 1224 L N -0.029 121.134 121.223 -0.099 0.000 2.083 1224 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 1224 L C 1.753 178.404 176.870 -0.365 0.000 1.083 1224 L CA 1.957 56.654 54.840 -0.238 0.000 0.752 1224 L CB -0.910 40.998 42.059 -0.251 0.000 0.899 1224 L HN 0.363 nan 8.230 nan 0.000 0.433 1225 D N -0.600 119.681 120.400 -0.197 0.000 2.144 1225 D HA -0.200 4.440 4.640 -0.000 0.000 0.199 1225 D C 2.225 178.478 176.300 -0.078 0.000 0.984 1225 D CA 1.643 55.581 54.000 -0.103 0.000 0.834 1225 D CB 0.001 40.791 40.800 -0.018 0.000 0.955 1225 D HN 0.407 nan 8.370 nan 0.000 0.465 1226 L N 0.594 121.724 121.223 -0.154 0.000 2.056 1226 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 1226 L C 2.669 179.467 176.870 -0.122 0.000 1.078 1226 L CA 0.571 55.241 54.840 -0.283 0.000 0.749 1226 L CB -0.400 41.215 42.059 -0.739 0.000 0.901 1226 L HN 0.012 nan 8.230 nan 0.000 0.433 1227 L N -1.007 120.226 121.223 0.016 0.000 2.083 1227 L HA -0.231 4.109 4.340 -0.000 0.000 0.209 1227 L C 2.517 179.522 176.870 0.225 0.000 1.083 1227 L CA 1.315 56.274 54.840 0.199 0.000 0.752 1227 L CB -0.636 41.517 42.059 0.156 0.000 0.899 1227 L HN 0.349 nan 8.230 nan 0.000 0.433 1228 H N -1.629 117.486 119.070 0.075 0.000 2.395 1228 H HA -0.118 4.438 4.556 -0.000 0.000 0.299 1228 H C 2.347 177.707 175.328 0.052 0.000 1.070 1228 H CA 0.866 56.949 56.048 0.058 0.000 1.356 1228 H CB 0.268 30.047 29.762 0.028 0.000 1.401 1228 H HN 0.074 nan 8.280 nan 0.000 0.524 1229 V N 1.110 121.117 119.914 0.154 0.000 2.287 1229 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 1229 V C 2.695 178.877 176.094 0.147 0.000 1.053 1229 V CA 1.727 64.080 62.300 0.087 0.000 1.027 1229 V CB -0.846 30.989 31.823 0.020 0.000 0.646 1229 V HN 0.532 nan 8.190 nan 0.000 0.447 1230 A N 0.152 123.091 122.820 0.198 0.000 1.908 1230 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 1230 A C 2.442 180.260 177.584 0.391 0.000 1.181 1230 A CA 2.034 54.269 52.037 0.330 0.000 0.627 1230 A CB -0.601 18.636 19.000 0.395 0.000 0.818 1230 A HN 0.436 nan 8.150 nan 0.000 0.445 1231 R N -0.022 120.646 120.500 0.281 0.000 2.075 1231 R HA -0.161 4.179 4.340 -0.000 0.000 0.232 1231 R C 1.284 177.672 176.300 0.146 0.000 1.126 1231 R CA 2.021 58.246 56.100 0.208 0.000 0.963 1231 R CB -0.738 29.672 30.300 0.183 0.000 0.858 1231 R HN 0.442 nan 8.270 nan 0.000 0.435 1232 D N 0.923 121.399 120.400 0.126 0.000 2.116 1232 D HA -0.172 4.468 4.640 -0.000 0.000 0.193 1232 D C 1.963 178.313 176.300 0.083 0.000 0.998 1232 D CA 1.220 55.267 54.000 0.080 0.000 0.836 1232 D CB -0.154 40.675 40.800 0.049 0.000 0.951 1232 D HN 0.221 nan 8.370 nan 0.000 0.449 1233 I N 0.910 121.562 120.570 0.135 0.000 2.353 1233 I HA -0.113 4.057 4.170 -0.000 0.000 0.248 1233 I C 2.419 178.575 176.117 0.064 0.000 1.119 1233 I CA 0.520 61.899 61.300 0.132 0.000 1.417 1233 I CB -1.314 36.835 38.000 0.247 0.000 1.078 1233 I HN -0.121 nan 8.210 nan 0.000 0.421 1234 A N -0.152 122.722 122.820 0.089 0.000 1.933 1234 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 1234 A C 2.632 180.112 177.584 -0.174 0.000 1.175 1234 A CA 1.757 53.664 52.037 -0.217 0.000 0.628 1234 A CB -1.243 17.642 19.000 -0.191 0.000 0.814 1234 A HN 0.529 nan 8.150 nan 0.000 0.444 1235 C N -0.717 118.554 119.300 -0.050 0.000 2.446 1235 C HA 0.068 4.528 4.460 -0.000 0.000 0.277 1235 C C 2.949 177.829 174.990 -0.183 0.000 1.275 1235 C CA 1.015 60.019 59.018 -0.023 0.000 1.727 1235 C CB -1.544 26.261 27.740 0.108 0.000 2.010 1235 C HN 0.624 nan 8.230 nan 0.000 0.486 1236 G N -0.611 108.077 108.800 -0.187 0.000 2.440 1236 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 1236 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 1236 G C 1.676 176.367 174.900 -0.350 0.000 1.154 1236 G CA 1.423 46.332 45.100 -0.319 0.000 0.767 1236 G HN 0.606 nan 8.290 nan 0.000 0.552 1237 C N -0.135 118.886 119.300 -0.465 0.000 2.440 1237 C HA -0.003 4.457 4.460 -0.000 0.000 0.278 1237 C C 2.765 177.336 174.990 -0.698 0.000 1.295 1237 C CA 1.058 59.609 59.018 -0.779 0.000 1.738 1237 C CB -0.775 25.980 27.740 -1.641 0.000 1.987 1237 C HN 0.640 nan 8.230 nan 0.000 0.492 1238 Q N -0.363 119.151 119.800 -0.477 0.000 2.084 1238 Q HA -0.262 4.078 4.340 -0.000 0.000 0.202 1238 Q C 2.111 178.047 176.000 -0.106 0.000 0.978 1238 Q CA 1.914 57.632 55.803 -0.143 0.000 0.844 1238 Q CB -0.407 28.321 28.738 -0.016 0.000 0.898 1238 Q HN 0.791 nan 8.270 nan 0.000 0.426 1239 Y N 0.878 120.995 120.300 -0.304 0.000 2.165 1239 Y HA -0.237 4.313 4.550 -0.000 0.000 0.286 1239 Y C 1.759 177.577 175.900 -0.136 0.000 1.155 1239 Y CA 1.725 59.663 58.100 -0.270 0.000 1.164 1239 Y CB -0.228 37.859 38.460 -0.623 0.000 0.978 1239 Y HN 0.111 nan 8.280 nan 0.000 0.513 1240 L N 0.206 121.330 121.223 -0.165 0.000 2.017 1240 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 1240 L C 2.626 179.503 176.870 0.012 0.000 1.073 1240 L CA 1.978 56.786 54.840 -0.054 0.000 0.745 1240 L CB -0.748 41.352 42.059 0.070 0.000 0.894 1240 L HN 0.329 nan 8.230 nan 0.000 0.432 1241 E N 0.941 121.130 120.200 -0.019 0.000 2.058 1241 E HA -0.291 4.059 4.350 -0.000 0.000 0.194 1241 E C 1.953 178.491 176.600 -0.103 0.000 0.997 1241 E CA 1.819 58.246 56.400 0.046 0.000 0.801 1241 E CB -0.033 29.760 29.700 0.154 0.000 0.746 1241 E HN 0.657 nan 8.360 nan 0.000 0.450 1242 E N -0.314 119.781 120.200 -0.175 0.000 2.347 1242 E HA -0.147 4.202 4.350 -0.000 0.000 0.196 1242 E C 0.819 177.090 176.600 -0.548 0.000 1.008 1242 E CA 1.092 57.320 56.400 -0.287 0.000 0.852 1242 E CB -0.221 29.385 29.700 -0.158 0.000 0.783 1242 E HN 0.235 nan 8.360 nan 0.000 0.505 1243 N N -0.040 118.381 118.700 -0.465 0.000 2.251 1243 N HA 0.092 4.832 4.740 -0.000 0.000 0.217 1243 N C -0.984 174.405 175.510 -0.201 0.000 1.124 1243 N CA -0.003 52.784 53.050 -0.437 0.000 0.843 1243 N CB 0.086 38.367 38.487 -0.342 0.000 1.024 1243 N HN 0.238 nan 8.380 nan 0.000 0.501 1244 H N -1.381 117.742 119.070 0.089 0.000 2.741 1244 H HA -0.231 4.324 4.556 -0.000 0.000 0.305 1244 H C -0.845 174.640 175.328 0.261 0.000 1.169 1244 H CA 0.419 56.547 56.048 0.134 0.000 1.144 1244 H CB -2.055 27.743 29.762 0.059 0.000 1.397 1244 H HN 0.318 nan 8.280 nan 0.000 0.409 1245 F N 0.969 121.077 119.950 0.264 0.000 2.458 1245 F HA 0.507 5.034 4.527 -0.000 0.000 0.336 1245 F C -0.146 175.823 175.800 0.282 0.000 1.114 1245 F CA -1.149 57.061 58.000 0.351 0.000 0.987 1245 F CB 0.754 40.066 39.000 0.520 0.000 1.130 1245 F HN 0.035 nan 8.300 nan 0.000 0.458 1246 I N 6.703 127.212 120.570 -0.102 0.000 2.330 1246 I HA 0.115 4.285 4.170 -0.000 0.000 0.289 1246 I C 1.013 177.170 176.117 0.067 0.000 1.001 1246 I CA -0.484 60.866 61.300 0.085 0.000 1.193 1246 I CB 1.309 39.351 38.000 0.070 0.000 1.345 1246 I HN 0.756 nan 8.210 nan 0.000 0.461 1247 H N 7.384 126.624 119.070 0.282 0.000 2.333 1247 H HA -0.010 4.546 4.556 -0.000 0.000 0.302 1247 H C 1.044 176.473 175.328 0.168 0.000 1.075 1247 H CA 1.815 58.066 56.048 0.339 0.000 1.348 1247 H CB 0.457 30.356 29.762 0.229 0.000 1.393 1247 H HN 0.653 nan 8.280 nan 0.000 0.509 1248 R N -0.856 119.827 120.500 0.306 0.000 3.653 1248 R HA -0.163 4.177 4.340 -0.000 0.000 0.485 1248 R C -0.501 175.976 176.300 0.295 0.000 0.840 1248 R CA 1.196 57.433 56.100 0.229 0.000 1.409 1248 R CB -1.392 28.845 30.300 -0.105 0.000 2.089 1248 R HN 0.349 nan 8.270 nan 0.000 0.482 1249 D N 0.168 120.834 120.400 0.443 0.000 3.216 1249 D HA 0.161 4.801 4.640 -0.000 0.000 0.348 1249 D C -0.577 175.883 176.300 0.267 0.000 1.407 1249 D CA -0.277 53.903 54.000 0.299 0.000 0.744 1249 D CB 0.312 41.179 40.800 0.112 0.000 1.264 1249 D HN 0.050 nan 8.370 nan 0.000 0.543 1250 I N 2.041 122.757 120.570 0.243 0.000 2.581 1250 I HA 0.452 4.622 4.170 -0.000 0.000 0.285 1250 I C 0.642 176.803 176.117 0.074 0.000 1.129 1250 I CA 0.087 61.404 61.300 0.029 0.000 1.397 1250 I CB -0.265 37.844 38.000 0.181 0.000 1.399 1250 I HN 0.242 nan 8.210 nan 0.000 0.537 1251 A N 5.125 127.902 122.820 -0.072 0.000 2.608 1251 A HA 0.687 5.006 4.320 -0.000 0.000 0.292 1251 A C 0.513 178.086 177.584 -0.017 0.000 1.066 1251 A CA -0.028 51.941 52.037 -0.113 0.000 0.676 1251 A CB 0.805 19.311 19.000 -0.823 0.000 1.277 1251 A HN 0.654 nan 8.150 nan 0.000 0.413 1252 A N 0.766 123.659 122.820 0.123 0.000 1.978 1252 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 1252 A C 1.911 179.518 177.584 0.038 0.000 1.170 1252 A CA 1.936 54.035 52.037 0.103 0.000 0.636 1252 A CB -0.579 18.530 19.000 0.181 0.000 0.810 1252 A HN 1.056 nan 8.150 nan 0.000 0.448 1253 R N -0.917 119.580 120.500 -0.005 0.000 2.237 1253 R HA 0.004 4.344 4.340 -0.000 0.000 0.219 1253 R C 0.342 176.615 176.300 -0.045 0.000 1.080 1253 R CA 1.452 57.538 56.100 -0.025 0.000 0.995 1253 R CB -0.354 29.909 30.300 -0.063 0.000 0.875 1253 R HN 0.335 nan 8.270 nan 0.000 0.462 1254 N N -0.044 118.614 118.700 -0.071 0.000 2.203 1254 N HA 0.118 4.858 4.740 -0.000 0.000 0.207 1254 N C -0.786 174.671 175.510 -0.088 0.000 1.130 1254 N CA -0.091 52.913 53.050 -0.077 0.000 0.861 1254 N CB 0.667 39.102 38.487 -0.087 0.000 1.005 1254 N HN 0.137 nan 8.380 nan 0.000 0.507 1255 C N 1.046 120.311 119.300 -0.059 0.000 2.391 1255 C HA 0.629 5.089 4.460 -0.000 0.000 0.339 1255 C C 0.391 175.359 174.990 -0.037 0.000 1.205 1255 C CA -0.870 58.117 59.018 -0.053 0.000 1.937 1255 C CB 0.783 28.503 27.740 -0.034 0.000 2.341 1255 C HN 0.165 nan 8.230 nan 0.000 0.516 1256 L N 2.002 123.199 121.223 -0.044 0.000 2.301 1256 L HA 0.728 5.068 4.340 -0.000 0.000 0.264 1256 L C -0.769 176.049 176.870 -0.087 0.000 1.016 1256 L CA -0.646 54.164 54.840 -0.050 0.000 0.821 1256 L CB 1.256 43.296 42.059 -0.032 0.000 1.346 1256 L HN 0.453 nan 8.230 nan 0.000 0.429 1257 L N -0.317 120.834 121.223 -0.120 0.000 2.362 1257 L HA 0.375 4.715 4.340 -0.000 0.000 0.271 1257 L C 1.078 177.873 176.870 -0.125 0.000 1.002 1257 L CA -0.420 54.313 54.840 -0.179 0.000 0.818 1257 L CB 2.191 44.029 42.059 -0.368 0.000 1.298 1257 L HN 0.787 nan 8.230 nan 0.000 0.420 1258 T N -2.482 112.007 114.554 -0.109 0.000 2.821 1258 T HA -0.060 4.290 4.350 -0.000 0.000 0.267 1258 T C 0.590 175.251 174.700 -0.064 0.000 1.046 1258 T CA 0.693 62.749 62.100 -0.073 0.000 1.139 1258 T CB -0.316 68.514 68.868 -0.062 0.000 0.871 1258 T HN 0.722 nan 8.240 nan 0.000 0.454 1259 C N -1.753 117.496 119.300 -0.086 0.000 3.311 1259 C HA 0.663 5.123 4.460 -0.000 0.000 0.325 1259 C C -2.448 172.506 174.990 -0.060 0.000 1.352 1259 C CA -1.646 57.342 59.018 -0.049 0.000 1.308 1259 C CB 1.152 28.878 27.740 -0.024 0.000 1.619 1259 C HN -0.008 nan 8.230 nan 0.000 0.469 1260 P HA 0.140 nan 4.420 nan 0.000 0.219 1260 P C 1.005 178.414 177.300 0.181 0.000 1.150 1260 P CA 1.892 65.111 63.100 0.198 0.000 0.814 1260 P CB -0.050 31.770 31.700 0.200 0.000 0.787 1261 G N 0.180 109.030 108.800 0.084 0.000 2.563 1261 G HA2 0.185 4.144 3.960 -0.000 0.000 0.283 1261 G HA3 0.185 4.144 3.960 -0.000 0.000 0.283 1261 G C -1.650 173.282 174.900 0.054 0.000 1.309 1261 G CA -1.043 44.100 45.100 0.072 0.000 1.022 1261 G HN -0.043 nan 8.290 nan 0.000 0.501 1262 P HA -0.025 nan 4.420 nan 0.000 0.221 1262 P C 1.622 178.944 177.300 0.038 0.000 1.145 1262 P CA 1.453 64.582 63.100 0.049 0.000 0.795 1262 P CB 0.130 31.856 31.700 0.043 0.000 0.775 1263 G N -0.069 108.741 108.800 0.017 0.000 3.026 1263 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.208 1263 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.208 1263 G C 0.417 175.305 174.900 -0.020 0.000 1.169 1263 G CA -0.411 44.689 45.100 -0.000 0.000 0.788 1263 G HN 0.333 nan 8.290 nan 0.000 0.533 1264 R N -0.384 120.098 120.500 -0.029 0.000 2.679 1264 R HA 0.357 4.697 4.340 -0.000 0.000 0.268 1264 R C -1.270 174.988 176.300 -0.071 0.000 1.044 1264 R CA -0.292 55.763 56.100 -0.076 0.000 1.105 1264 R CB 0.823 31.032 30.300 -0.151 0.000 0.989 1264 R HN -0.106 nan 8.270 nan 0.000 0.447 1265 V N 1.811 121.675 119.914 -0.084 0.000 2.540 1265 V HA 0.532 4.652 4.120 -0.000 0.000 0.302 1265 V C 0.006 176.052 176.094 -0.081 0.000 1.035 1265 V CA -0.880 61.378 62.300 -0.070 0.000 0.873 1265 V CB 1.596 33.382 31.823 -0.062 0.000 0.992 1265 V HN 1.004 nan 8.190 nan 0.000 0.428 1266 A N 5.334 128.118 122.820 -0.061 0.000 2.309 1266 A HA 0.822 5.142 4.320 -0.000 0.000 0.298 1266 A C -0.165 177.400 177.584 -0.032 0.000 1.165 1266 A CA -0.484 51.517 52.037 -0.059 0.000 0.821 1266 A CB 0.599 19.577 19.000 -0.036 0.000 1.102 1266 A HN 0.833 nan 8.150 nan 0.000 0.500 1267 K N 1.803 122.181 120.400 -0.037 0.000 2.477 1267 K HA 0.513 4.833 4.320 -0.000 0.000 0.255 1267 K C -1.253 175.324 176.600 -0.038 0.000 0.952 1267 K CA -0.628 55.644 56.287 -0.024 0.000 0.826 1267 K CB 2.242 34.733 32.500 -0.016 0.000 1.331 1267 K HN 0.632 nan 8.250 nan 0.000 0.437 1268 I N 1.456 121.994 120.570 -0.053 0.000 2.471 1268 I HA 0.060 4.229 4.170 -0.000 0.000 0.286 1268 I C 1.076 177.172 176.117 -0.036 0.000 1.079 1268 I CA 0.372 61.597 61.300 -0.125 0.000 1.398 1268 I CB 0.921 38.781 38.000 -0.234 0.000 1.403 1268 I HN 0.984 nan 8.210 nan 0.000 0.530 1269 G N 4.624 113.381 108.800 -0.073 0.000 2.739 1269 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.200 1269 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.200 1269 G C 0.139 175.081 174.900 0.070 0.000 1.069 1269 G CA 0.023 45.146 45.100 0.038 0.000 0.768 1269 G HN 0.615 nan 8.290 nan 0.000 0.565 1270 D N -0.508 119.844 120.400 -0.079 0.000 2.256 1270 D HA 0.438 5.077 4.640 -0.000 0.000 0.246 1270 D C -1.067 175.105 176.300 -0.214 0.000 1.042 1270 D CA -0.666 53.322 54.000 -0.020 0.000 0.841 1270 D CB 1.616 42.409 40.800 -0.012 0.000 1.223 1270 D HN 0.016 nan 8.370 nan 0.000 0.470 1271 F N 1.626 121.604 119.950 0.047 0.000 2.835 1271 F HA 0.280 4.807 4.527 0.000 0.000 0.342 1271 F C 1.688 177.452 175.800 -0.060 0.000 1.202 1271 F CA -0.675 57.305 58.000 -0.034 0.000 1.240 1271 F CB 1.400 40.424 39.000 0.041 0.000 1.005 1271 F HN 0.530 nan 8.300 nan 0.000 0.507 1272 G N 0.187 109.015 108.800 0.048 0.000 2.408 1272 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 1272 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 1272 G C 1.614 176.515 174.900 0.002 0.000 1.150 1272 G CA 0.752 45.875 45.100 0.038 0.000 0.776 1272 G HN 0.278 nan 8.290 nan 0.000 0.542 1273 M N 1.501 121.069 119.600 -0.053 0.000 2.156 1273 M HA 0.308 4.788 4.480 -0.000 0.000 0.264 1273 M C 2.634 178.884 176.300 -0.084 0.000 1.067 1273 M CA 1.480 56.736 55.300 -0.072 0.000 1.131 1273 M CB -0.406 32.140 32.600 -0.089 0.000 1.368 1273 M HN 0.189 nan 8.290 nan 0.000 0.416 1274 A N 0.243 123.017 122.820 -0.076 0.000 1.933 1274 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 1274 A C 2.352 179.972 177.584 0.060 0.000 1.175 1274 A CA 1.743 53.769 52.037 -0.018 0.000 0.628 1274 A CB -0.779 18.339 19.000 0.197 0.000 0.814 1274 A HN 0.537 nan 8.150 nan 0.000 0.444 1275 R N 0.128 120.673 120.500 0.074 0.000 2.073 1275 R HA -0.127 4.213 4.340 -0.000 0.000 0.229 1275 R C 1.242 177.593 176.300 0.086 0.000 1.120 1275 R CA 1.876 58.014 56.100 0.063 0.000 0.967 1275 R CB -0.708 29.606 30.300 0.023 0.000 0.862 1275 R HN 0.449 nan 8.270 nan 0.000 0.436 1276 D N 1.025 121.448 120.400 0.039 0.000 2.092 1276 D HA -0.170 4.470 4.640 -0.000 0.000 0.193 1276 D C 1.983 178.297 176.300 0.023 0.000 0.994 1276 D CA 1.218 55.232 54.000 0.023 0.000 0.828 1276 D CB -0.208 40.588 40.800 -0.007 0.000 0.963 1276 D HN 0.194 nan 8.370 nan 0.000 0.450 1277 I N 0.064 120.627 120.570 -0.012 0.000 2.286 1277 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 1277 I C 2.279 178.404 176.117 0.014 0.000 1.115 1277 I CA 0.795 62.068 61.300 -0.045 0.000 1.392 1277 I CB -1.244 36.663 38.000 -0.155 0.000 1.065 1277 I HN 0.076 nan 8.210 nan 0.000 0.418 1278 Y N 2.561 122.835 120.300 -0.043 0.000 2.333 1278 Y HA -0.152 4.398 4.550 -0.000 0.000 0.290 1278 Y C 0.689 176.598 175.900 0.014 0.000 1.144 1278 Y CA 0.867 58.970 58.100 0.005 0.000 1.228 1278 Y CB 0.199 38.691 38.460 0.054 0.000 0.985 1278 Y HN 0.134 nan 8.280 nan 0.000 0.542 1279 R N -0.271 120.306 120.500 0.130 0.000 3.144 1279 R HA -0.130 4.210 4.340 -0.000 0.000 0.255 1279 R C -0.554 175.835 176.300 0.149 0.000 0.949 1279 R CA 0.808 56.953 56.100 0.074 0.000 0.649 1279 R CB -2.215 28.078 30.300 -0.013 0.000 1.229 1279 R HN 0.491 nan 8.270 nan 0.000 0.440 1291 L N 4.960 126.230 121.223 0.078 0.000 2.410 1291 L HA 0.196 4.536 4.340 -0.000 0.000 0.273 1291 L C -1.465 175.494 176.870 0.149 0.000 1.152 1291 L CA -1.172 53.735 54.840 0.112 0.000 0.855 1291 L CB 0.224 42.355 42.059 0.119 0.000 1.129 1291 L HN -0.091 nan 8.230 nan 0.000 0.463 1292 P HA -0.007 nan 4.420 nan 0.000 0.226 1292 P C 1.003 178.544 177.300 0.403 0.000 1.783 1292 P CA -0.130 63.161 63.100 0.320 0.000 0.980 1292 P CB -0.036 31.801 31.700 0.229 0.000 1.967 1293 V N -0.488 119.569 119.914 0.239 0.000 2.720 1293 V HA -0.191 3.929 4.120 -0.000 0.000 0.256 1293 V C 1.907 178.056 176.094 0.091 0.000 1.082 1293 V CA 1.218 63.586 62.300 0.114 0.000 1.101 1293 V CB -1.264 30.493 31.823 -0.110 0.000 0.693 1293 V HN 0.136 nan 8.190 nan 0.000 0.479 1294 K N -0.931 119.559 120.400 0.150 0.000 2.439 1294 K HA -0.006 4.314 4.320 -0.000 0.000 0.197 1294 K C 1.565 178.162 176.600 -0.006 0.000 1.041 1294 K CA 1.206 57.459 56.287 -0.057 0.000 0.970 1294 K CB -0.096 32.260 32.500 -0.240 0.000 0.773 1294 K HN 0.658 nan 8.250 nan 0.000 0.479 1295 W N 0.355 121.824 121.300 0.282 0.000 3.127 1295 W HA 0.263 4.923 4.660 0.000 0.000 0.344 1295 W C 0.060 176.840 176.519 0.434 0.000 1.151 1295 W CA -0.307 57.272 57.345 0.390 0.000 1.765 1295 W CB 0.258 29.911 29.460 0.321 0.000 1.085 1295 W HN -0.033 nan 8.180 nan 0.000 0.596 1296 M N 1.841 121.695 119.600 0.422 0.000 2.404 1296 M HA 0.290 4.770 4.480 -0.000 0.000 0.338 1296 M C -2.051 173.993 176.300 -0.426 0.000 1.150 1296 M CA -1.714 53.676 55.300 0.149 0.000 1.016 1296 M CB 1.719 34.460 32.600 0.235 0.000 1.672 1296 M HN -0.439 nan 8.290 nan 0.000 0.448 1297 P HA 0.210 nan 4.420 nan 0.000 0.274 1297 P C -2.538 174.026 177.300 -1.225 0.000 1.246 1297 P CA -1.256 60.852 63.100 -1.654 0.000 0.795 1297 P CB 0.106 31.200 31.700 -1.011 0.000 1.006 1298 P HA -0.207 nan 4.420 nan 0.000 0.214 1298 P C 1.606 178.169 177.300 -1.227 0.000 1.163 1298 P CA 1.787 63.971 63.100 -1.526 0.000 0.889 1298 P CB -0.275 30.947 31.700 -0.796 0.000 0.790 1299 E N 0.238 119.962 120.200 -0.792 0.000 2.265 1299 E HA -0.176 4.174 4.350 -0.000 0.000 0.196 1299 E C 1.737 177.991 176.600 -0.577 0.000 0.996 1299 E CA 1.722 57.790 56.400 -0.554 0.000 0.832 1299 E CB -0.992 28.468 29.700 -0.400 0.000 0.756 1299 E HN 0.170 nan 8.360 nan 0.000 0.491 1300 A N 1.476 123.866 122.820 -0.716 0.000 1.855 1300 A HA -0.020 4.300 4.320 -0.000 0.000 0.213 1300 A C 1.965 179.268 177.584 -0.468 0.000 1.195 1300 A CA 1.331 52.905 52.037 -0.771 0.000 0.610 1300 A CB -0.875 17.656 19.000 -0.781 0.000 0.837 1300 A HN 0.405 nan 8.150 nan 0.000 0.444 1301 F N -1.714 118.065 119.950 -0.285 0.000 2.615 1301 F HA 0.276 4.803 4.527 -0.000 0.000 0.297 1301 F C 1.846 177.574 175.800 -0.120 0.000 1.124 1301 F CA 0.570 58.478 58.000 -0.153 0.000 1.451 1301 F CB -0.519 38.406 39.000 -0.125 0.000 1.103 1301 F HN 0.047 nan 8.300 nan 0.000 0.569 1302 M N 0.009 119.469 119.600 -0.232 0.000 2.299 1302 M HA 0.029 4.509 4.480 -0.000 0.000 0.264 1302 M C 1.540 177.786 176.300 -0.089 0.000 1.095 1302 M CA 1.233 56.480 55.300 -0.089 0.000 1.165 1302 M CB -0.076 32.400 32.600 -0.207 0.000 1.349 1302 M HN 0.021 nan 8.290 nan 0.000 0.446 1303 E N -0.645 119.453 120.200 -0.169 0.000 2.490 1303 E HA 0.175 4.525 4.350 -0.000 0.000 0.209 1303 E C 1.022 177.572 176.600 -0.083 0.000 0.971 1303 E CA 0.590 56.921 56.400 -0.115 0.000 0.988 1303 E CB 0.806 30.422 29.700 -0.140 0.000 1.029 1303 E HN 0.574 nan 8.360 nan 0.000 0.496 1304 G N 2.394 111.121 108.800 -0.122 0.000 2.160 1304 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.251 1304 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.251 1304 G C 0.294 175.173 174.900 -0.034 0.000 1.008 1304 G CA 0.292 45.383 45.100 -0.014 0.000 0.724 1304 G HN 0.248 nan 8.290 nan 0.000 0.514 1305 I N 0.153 120.582 120.570 -0.236 0.000 2.371 1305 I HA 0.499 4.668 4.170 -0.000 0.000 0.290 1305 I C 0.034 175.936 176.117 -0.359 0.000 1.028 1305 I CA -0.360 60.841 61.300 -0.164 0.000 1.345 1305 I CB 0.538 38.444 38.000 -0.157 0.000 1.407 1305 I HN 0.003 nan 8.210 nan 0.000 0.501 1306 F N 4.179 124.124 119.950 -0.008 0.000 2.507 1306 F HA 0.525 5.052 4.527 0.000 0.000 0.325 1306 F C 0.492 176.314 175.800 0.035 0.000 1.116 1306 F CA -0.479 57.533 58.000 0.020 0.000 0.930 1306 F CB 2.177 41.197 39.000 0.033 0.000 1.146 1306 F HN 0.428 nan 8.300 nan 0.000 0.447 1307 T N -2.603 112.074 114.554 0.204 0.000 2.716 1307 T HA 0.271 4.621 4.350 -0.000 0.000 0.286 1307 T C 0.953 175.780 174.700 0.213 0.000 1.052 1307 T CA -0.043 62.159 62.100 0.170 0.000 1.024 1307 T CB 1.105 70.035 68.868 0.104 0.000 1.349 1307 T HN 0.477 nan 8.240 nan 0.000 0.525 1308 S N 0.319 116.141 115.700 0.204 0.000 2.400 1308 S HA -0.123 4.347 4.470 -0.000 0.000 0.232 1308 S C 1.627 176.379 174.600 0.255 0.000 1.025 1308 S CA 0.648 59.002 58.200 0.256 0.000 0.993 1308 S CB -0.659 62.680 63.200 0.231 0.000 0.808 1308 S HN 0.596 nan 8.310 nan 0.000 0.478 1309 K N 1.119 121.621 120.400 0.170 0.000 2.365 1309 K HA 0.101 4.420 4.320 -0.000 0.000 0.199 1309 K C 2.082 178.801 176.600 0.199 0.000 1.045 1309 K CA 1.050 57.420 56.287 0.137 0.000 0.962 1309 K CB -1.170 31.378 32.500 0.080 0.000 0.759 1309 K HN 0.518 nan 8.250 nan 0.000 0.469 1310 T N 1.718 116.398 114.554 0.211 0.000 2.708 1310 T HA -0.117 4.233 4.350 -0.000 0.000 0.266 1310 T C 1.187 176.127 174.700 0.401 0.000 1.037 1310 T CA 1.504 63.750 62.100 0.244 0.000 1.146 1310 T CB -0.126 68.900 68.868 0.262 0.000 0.865 1310 T HN 0.169 nan 8.240 nan 0.000 0.435 1311 D N 0.703 121.367 120.400 0.440 0.000 2.178 1311 D HA -0.033 4.606 4.640 -0.000 0.000 0.202 1311 D C 2.313 179.003 176.300 0.650 0.000 0.974 1311 D CA 0.950 55.282 54.000 0.554 0.000 0.841 1311 D CB -0.549 40.583 40.800 0.553 0.000 0.953 1311 D HN 0.306 nan 8.370 nan 0.000 0.478 1312 T N 0.468 115.271 114.554 0.415 0.000 2.684 1312 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 1312 T C 1.610 176.513 174.700 0.339 0.000 1.036 1312 T CA 0.895 63.063 62.100 0.113 0.000 1.148 1312 T CB -0.247 68.534 68.868 -0.145 0.000 0.863 1312 T HN 0.349 nan 8.240 nan 0.000 0.436 1313 W N 2.048 123.497 121.300 0.249 0.000 2.335 1313 W HA -0.157 4.503 4.660 -0.000 0.000 0.311 1313 W C 2.213 179.018 176.519 0.477 0.000 1.213 1313 W CA 1.499 59.058 57.345 0.356 0.000 1.274 1313 W CB -0.753 28.879 29.460 0.286 0.000 1.148 1313 W HN 0.238 nan 8.180 nan 0.000 0.498 1314 S N 0.633 116.816 115.700 0.806 0.000 2.382 1314 S HA -0.219 4.250 4.470 -0.000 0.000 0.228 1314 S C 1.564 176.539 174.600 0.625 0.000 1.027 1314 S CA 1.486 60.145 58.200 0.764 0.000 0.991 1314 S CB -1.070 62.536 63.200 0.677 0.000 0.823 1314 S HN 0.316 nan 8.310 nan 0.000 0.469 1315 F N 2.726 122.946 119.950 0.451 0.000 2.161 1315 F HA -0.040 4.487 4.527 -0.000 0.000 0.300 1315 F C 2.259 178.218 175.800 0.265 0.000 1.089 1315 F CA 1.178 59.401 58.000 0.371 0.000 1.282 1315 F CB -0.874 38.397 39.000 0.451 0.000 1.010 1315 F HN 0.228 nan 8.300 nan 0.000 0.485 1316 G N -0.168 108.760 108.800 0.213 0.000 2.440 1316 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.218 1316 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.218 1316 G C 1.712 176.745 174.900 0.222 0.000 1.154 1316 G CA 1.232 46.265 45.100 -0.112 0.000 0.767 1316 G HN 0.339 nan 8.290 nan 0.000 0.552 1317 V N 0.835 121.056 119.914 0.512 0.000 2.358 1317 V HA -0.120 4.000 4.120 -0.000 0.000 0.246 1317 V C 2.655 178.974 176.094 0.374 0.000 1.047 1317 V CA 1.547 64.101 62.300 0.423 0.000 1.035 1317 V CB -0.486 31.439 31.823 0.170 0.000 0.658 1317 V HN 0.374 nan 8.190 nan 0.000 0.452 1318 L N -0.261 121.156 121.223 0.325 0.000 2.042 1318 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 1318 L C 2.201 179.125 176.870 0.089 0.000 1.076 1318 L CA 1.838 56.812 54.840 0.222 0.000 0.749 1318 L CB -0.582 41.504 42.059 0.045 0.000 0.893 1318 L HN 0.191 nan 8.230 nan 0.000 0.432 1319 L N -1.835 119.337 121.223 -0.085 0.000 2.042 1319 L HA -0.270 4.070 4.340 -0.000 0.000 0.210 1319 L C 2.421 179.461 176.870 0.283 0.000 1.076 1319 L CA 1.983 56.838 54.840 0.025 0.000 0.749 1319 L CB -0.559 41.433 42.059 -0.112 0.000 0.893 1319 L HN 0.562 nan 8.230 nan 0.000 0.432 1320 W N 1.086 122.472 121.300 0.143 0.000 2.358 1320 W HA -0.198 4.461 4.660 -0.000 0.000 0.303 1320 W C 2.448 179.073 176.519 0.177 0.000 1.208 1320 W CA 1.592 59.053 57.345 0.192 0.000 1.274 1320 W CB 0.019 29.612 29.460 0.221 0.000 1.138 1320 W HN 0.097 nan 8.180 nan 0.000 0.515 1321 E N 0.110 120.608 120.200 0.496 0.000 2.058 1321 E HA -0.280 4.069 4.350 -0.000 0.000 0.194 1321 E C 2.076 178.751 176.600 0.126 0.000 0.997 1321 E CA 1.985 58.602 56.400 0.361 0.000 0.801 1321 E CB -0.554 29.392 29.700 0.409 0.000 0.746 1321 E HN 0.389 nan 8.360 nan 0.000 0.450 1322 I N -0.031 120.600 120.570 0.102 0.000 2.202 1322 I HA -0.243 3.927 4.170 -0.000 0.000 0.242 1322 I C 1.904 177.891 176.117 -0.217 0.000 1.091 1322 I CA 1.177 62.447 61.300 -0.049 0.000 1.368 1322 I CB -0.143 37.810 38.000 -0.079 0.000 1.058 1322 I HN 0.027 nan 8.210 nan 0.000 0.410 1323 F N 0.472 120.349 119.950 -0.121 0.000 2.710 1323 F HA -0.069 4.458 4.527 -0.000 0.000 0.298 1323 F C 2.661 178.288 175.800 -0.289 0.000 1.137 1323 F CA 0.844 58.741 58.000 -0.171 0.000 1.444 1323 F CB -0.336 38.570 39.000 -0.158 0.000 1.111 1323 F HN 0.073 nan 8.300 nan 0.000 0.580 1324 S N -0.383 115.123 115.700 -0.323 0.000 2.562 1324 S HA 0.011 4.481 4.470 -0.000 0.000 0.221 1324 S C 0.919 175.478 174.600 -0.068 0.000 0.975 1324 S CA 0.026 57.967 58.200 -0.433 0.000 0.918 1324 S CB -0.240 62.363 63.200 -0.995 0.000 0.772 1324 S HN 0.169 nan 8.310 nan 0.000 0.531 1325 L N 0.675 121.856 121.223 -0.069 0.000 3.608 1325 L HA -0.176 4.164 4.340 -0.000 0.000 0.422 1325 L C 1.095 177.983 176.870 0.030 0.000 1.260 1325 L CA 0.926 55.751 54.840 -0.025 0.000 0.889 1325 L CB -2.737 39.303 42.059 -0.032 0.000 1.821 1325 L HN 0.889 nan 8.230 nan 0.000 0.884 1326 G N -2.384 106.465 108.800 0.082 0.000 2.138 1326 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.193 1326 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.193 1326 G C 0.063 175.043 174.900 0.133 0.000 0.998 1326 G CA 0.049 45.210 45.100 0.102 0.000 0.668 1326 G HN 0.375 nan 8.290 nan 0.000 0.516 1327 Y N -0.335 120.024 120.300 0.098 0.000 2.480 1327 Y HA 0.497 5.047 4.550 -0.000 0.000 0.338 1327 Y C 1.123 177.236 175.900 0.355 0.000 1.220 1327 Y CA 0.043 58.267 58.100 0.207 0.000 1.430 1327 Y CB 0.660 39.254 38.460 0.223 0.000 1.311 1327 Y HN 0.298 nan 8.280 nan 0.000 0.575 1328 M N 6.435 126.286 119.600 0.418 0.000 2.252 1328 M HA 0.212 4.692 4.480 -0.000 0.000 0.348 1328 M C -2.527 173.917 176.300 0.240 0.000 1.334 1328 M CA -1.456 54.039 55.300 0.326 0.000 1.071 1328 M CB 0.196 32.931 32.600 0.225 0.000 1.763 1328 M HN 0.217 nan 8.290 nan 0.000 0.452 1329 P HA 0.024 nan 4.420 nan 0.000 0.268 1329 P C -1.293 175.748 177.300 -0.432 0.000 1.208 1329 P CA 0.404 63.147 63.100 -0.594 0.000 0.777 1329 P CB -0.012 31.252 31.700 -0.726 0.000 0.875 1330 Y N -1.169 118.714 120.300 -0.696 0.000 2.988 1330 Y HA -0.174 4.376 4.550 -0.000 0.000 0.193 1330 Y C -1.769 173.965 175.900 -0.275 0.000 1.388 1330 Y CA -0.504 57.314 58.100 -0.470 0.000 0.904 1330 Y CB -2.557 35.658 38.460 -0.408 0.000 1.297 1330 Y HN 0.399 nan 8.280 nan 0.000 0.432 1331 P HA 0.051 nan 4.420 nan 0.000 0.262 1331 P C 0.709 178.005 177.300 -0.007 0.000 1.182 1331 P CA 1.825 64.944 63.100 0.031 0.000 0.761 1331 P CB 1.061 32.824 31.700 0.105 0.000 0.795 1332 S N 0.669 116.376 115.700 0.013 0.000 2.857 1332 S HA -0.204 4.266 4.470 -0.000 0.000 0.268 1332 S C 0.036 174.607 174.600 -0.048 0.000 1.297 1332 S CA 0.860 59.053 58.200 -0.011 0.000 1.280 1332 S CB -2.186 61.005 63.200 -0.015 0.000 1.562 1332 S HN 0.548 nan 8.310 nan 0.000 0.661 1333 K N 2.118 122.478 120.400 -0.067 0.000 2.138 1333 K HA 0.615 4.935 4.320 -0.000 0.000 0.263 1333 K C 0.553 177.102 176.600 -0.085 0.000 0.965 1333 K CA 0.022 56.244 56.287 -0.108 0.000 0.868 1333 K CB 1.716 34.107 32.500 -0.183 0.000 1.083 1333 K HN 0.513 nan 8.250 nan 0.000 0.443 1334 S N 1.326 116.972 115.700 -0.090 0.000 2.655 1334 S HA 0.134 4.604 4.470 -0.000 0.000 0.265 1334 S C 0.918 175.448 174.600 -0.117 0.000 1.240 1334 S CA -0.612 57.543 58.200 -0.075 0.000 0.986 1334 S CB 0.752 63.916 63.200 -0.059 0.000 0.985 1334 S HN 0.504 nan 8.310 nan 0.000 0.562 1335 N N 0.893 119.536 118.700 -0.096 0.000 2.069 1335 N HA -0.163 4.577 4.740 -0.000 0.000 0.191 1335 N C 1.758 177.152 175.510 -0.193 0.000 1.031 1335 N CA 1.787 54.755 53.050 -0.137 0.000 0.852 1335 N CB -0.873 37.566 38.487 -0.080 0.000 1.018 1335 N HN 0.807 nan 8.380 nan 0.000 0.423 1336 Q N 1.273 120.987 119.800 -0.143 0.000 2.124 1336 Q HA -0.067 4.272 4.340 -0.000 0.000 0.202 1336 Q C 1.525 177.434 176.000 -0.150 0.000 0.977 1336 Q CA 1.528 57.244 55.803 -0.145 0.000 0.850 1336 Q CB -0.149 28.535 28.738 -0.090 0.000 0.901 1336 Q HN 0.456 nan 8.270 nan 0.000 0.429 1337 E N -0.975 119.143 120.200 -0.137 0.000 2.072 1337 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 1337 E C 1.968 178.474 176.600 -0.156 0.000 0.985 1337 E CA 1.329 57.654 56.400 -0.125 0.000 0.801 1337 E CB 0.018 29.641 29.700 -0.128 0.000 0.750 1337 E HN 0.189 nan 8.360 nan 0.000 0.452 1338 V N 1.728 121.482 119.914 -0.268 0.000 2.343 1338 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 1338 V C 2.327 178.220 176.094 -0.334 0.000 1.051 1338 V CA 1.400 63.456 62.300 -0.407 0.000 1.036 1338 V CB -0.408 31.005 31.823 -0.683 0.000 0.654 1338 V HN 0.291 nan 8.190 nan 0.000 0.451 1339 L N 0.005 120.982 121.223 -0.411 0.000 1.989 1339 L HA -0.253 4.087 4.340 -0.000 0.000 0.211 1339 L C 2.647 179.387 176.870 -0.217 0.000 1.071 1339 L CA 2.087 56.581 54.840 -0.576 0.000 0.749 1339 L CB -0.295 41.413 42.059 -0.584 0.000 0.890 1339 L HN 0.399 nan 8.230 nan 0.000 0.431 1340 E N -0.850 119.288 120.200 -0.104 0.000 2.106 1340 E HA -0.235 4.115 4.350 -0.000 0.000 0.192 1340 E C 1.971 178.611 176.600 0.067 0.000 0.984 1340 E CA 1.237 57.636 56.400 -0.001 0.000 0.806 1340 E CB -0.266 29.434 29.700 0.000 0.000 0.750 1340 E HN 0.491 nan 8.360 nan 0.000 0.458 1341 F N 1.715 121.605 119.950 -0.100 0.000 2.046 1341 F HA -0.246 4.281 4.527 -0.000 0.000 0.297 1341 F C 2.188 177.980 175.800 -0.014 0.000 1.123 1341 F CA 1.281 59.241 58.000 -0.066 0.000 1.199 1341 F CB -0.475 38.457 39.000 -0.114 0.000 0.972 1341 F HN -0.222 nan 8.300 nan 0.000 0.474 1342 V N -0.365 119.552 119.914 0.006 0.000 2.407 1342 V HA -0.291 3.828 4.120 -0.000 0.000 0.248 1342 V C 2.276 178.425 176.094 0.092 0.000 1.055 1342 V CA 2.339 64.651 62.300 0.019 0.000 1.049 1342 V CB -1.054 30.863 31.823 0.156 0.000 0.662 1342 V HN 0.441 nan 8.190 nan 0.000 0.455 1343 T N -0.593 114.048 114.554 0.144 0.000 2.915 1343 T HA -0.117 4.232 4.350 -0.000 0.000 0.269 1343 T C 1.804 176.534 174.700 0.050 0.000 1.071 1343 T CA 1.596 63.790 62.100 0.155 0.000 1.132 1343 T CB -0.142 68.835 68.868 0.182 0.000 0.878 1343 T HN 0.460 nan 8.240 nan 0.000 0.479 1344 S N -0.218 115.473 115.700 -0.015 0.000 2.575 1344 S HA 0.384 4.854 4.470 -0.000 0.000 0.215 1344 S C 1.685 176.217 174.600 -0.113 0.000 0.966 1344 S CA 0.405 58.569 58.200 -0.060 0.000 0.911 1344 S CB 0.223 63.395 63.200 -0.046 0.000 0.780 1344 S HN 0.710 nan 8.310 nan 0.000 0.514 1345 G N 1.166 109.896 108.800 -0.117 0.000 2.176 1345 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.232 1345 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.232 1345 G C 0.314 175.058 174.900 -0.261 0.000 0.986 1345 G CA -0.406 44.624 45.100 -0.116 0.000 0.643 1345 G HN 0.778 nan 8.290 nan 0.000 0.522 1346 G N -0.038 108.392 108.800 -0.616 0.000 2.441 1346 G HA2 0.532 4.492 3.960 -0.000 0.000 0.243 1346 G HA3 0.532 4.492 3.960 -0.000 0.000 0.243 1346 G C 0.056 174.461 174.900 -0.826 0.000 1.281 1346 G CA -0.078 44.218 45.100 -1.340 0.000 0.854 1346 G HN 0.393 nan 8.290 nan 0.000 0.560 1347 R N 1.414 121.719 120.500 -0.326 0.000 2.808 1347 R HA 0.321 4.661 4.340 -0.000 0.000 0.272 1347 R C 0.021 176.426 176.300 0.175 0.000 0.995 1347 R CA -1.031 55.053 56.100 -0.026 0.000 0.917 1347 R CB 1.579 31.907 30.300 0.047 0.000 1.217 1347 R HN 0.559 nan 8.270 nan 0.000 0.471 1348 M N 1.412 120.915 119.600 -0.162 0.000 2.252 1348 M HA 0.040 4.520 4.480 -0.000 0.000 0.333 1348 M C 0.065 176.518 176.300 0.255 0.000 1.111 1348 M CA 0.511 55.707 55.300 -0.174 0.000 1.140 1348 M CB 0.304 32.408 32.600 -0.825 0.000 1.538 1348 M HN 0.260 nan 8.290 nan 0.000 0.448 1349 D N 2.750 123.280 120.400 0.217 0.000 2.377 1349 D HA 0.285 4.925 4.640 -0.000 0.000 0.245 1349 D C -2.255 174.164 176.300 0.197 0.000 1.196 1349 D CA -1.148 52.964 54.000 0.187 0.000 0.962 1349 D CB 0.065 40.907 40.800 0.070 0.000 1.127 1349 D HN 0.235 nan 8.370 nan 0.000 0.471 1350 P HA 0.141 nan 4.420 nan 0.000 0.268 1350 P C -2.403 174.832 177.300 -0.109 0.000 1.205 1350 P CA -0.710 62.152 63.100 -0.397 0.000 0.771 1350 P CB -0.233 31.019 31.700 -0.746 0.000 0.858 1351 P HA 0.030 nan 4.420 nan 0.000 0.269 1351 P C -0.218 176.940 177.300 -0.235 0.000 1.217 1351 P CA -0.147 62.716 63.100 -0.394 0.000 0.783 1351 P CB 0.324 31.662 31.700 -0.605 0.000 0.898 1352 K N 2.476 122.739 120.400 -0.229 0.000 2.504 1352 K HA -0.120 4.200 4.320 -0.000 0.000 0.278 1352 K C 0.249 176.788 176.600 -0.102 0.000 1.025 1352 K CA 0.499 56.699 56.287 -0.146 0.000 1.093 1352 K CB -0.553 31.867 32.500 -0.133 0.000 0.873 1352 K HN 0.365 nan 8.250 nan 0.000 0.483 1353 N N 1.036 119.688 118.700 -0.081 0.000 2.909 1353 N HA -0.233 4.507 4.740 -0.000 0.000 0.242 1353 N C -0.535 174.953 175.510 -0.038 0.000 0.975 1353 N CA 1.033 54.053 53.050 -0.050 0.000 0.921 1353 N CB -2.133 36.336 38.487 -0.031 0.000 1.112 1353 N HN 0.586 nan 8.380 nan 0.000 0.581 1354 C N 2.368 121.628 119.300 -0.067 0.000 2.648 1354 C HA 0.281 4.741 4.460 -0.000 0.000 0.415 1354 C C -1.569 173.375 174.990 -0.077 0.000 1.366 1354 C CA -1.171 57.809 59.018 -0.062 0.000 1.756 1354 C CB -0.472 27.196 27.740 -0.120 0.000 2.549 1354 C HN 0.215 nan 8.230 nan 0.000 0.597 1355 P HA 0.193 nan 4.420 nan 0.000 0.268 1355 P C 0.755 178.025 177.300 -0.049 0.000 1.205 1355 P CA 0.412 63.481 63.100 -0.053 0.000 0.771 1355 P CB 0.535 32.210 31.700 -0.042 0.000 0.858 1356 G N 3.709 112.501 108.800 -0.013 0.000 2.440 1356 G HA2 -0.189 3.770 3.960 -0.000 0.000 0.218 1356 G HA3 -0.189 3.770 3.960 -0.000 0.000 0.218 1356 G C -1.013 173.900 174.900 0.023 0.000 1.154 1356 G CA 0.791 45.910 45.100 0.031 0.000 0.767 1356 G HN 0.449 nan 8.290 nan 0.000 0.552 1357 P HA -0.017 nan 4.420 nan 0.000 0.218 1357 P C 1.981 179.240 177.300 -0.070 0.000 1.149 1357 P CA 0.624 63.718 63.100 -0.010 0.000 0.817 1357 P CB 0.009 31.727 31.700 0.029 0.000 0.785 1358 V N -1.577 118.254 119.914 -0.138 0.000 2.407 1358 V HA -0.219 3.900 4.120 -0.000 0.000 0.245 1358 V C 2.274 178.229 176.094 -0.231 0.000 1.041 1358 V CA 1.386 63.511 62.300 -0.292 0.000 1.040 1358 V CB -1.427 30.002 31.823 -0.657 0.000 0.671 1358 V HN 0.011 nan 8.190 nan 0.000 0.455 1359 Y N 1.435 121.576 120.300 -0.266 0.000 2.256 1359 Y HA -0.233 4.317 4.550 -0.000 0.000 0.288 1359 Y C 2.640 178.415 175.900 -0.208 0.000 1.155 1359 Y CA 1.903 59.881 58.100 -0.204 0.000 1.203 1359 Y CB -0.298 38.097 38.460 -0.108 0.000 0.980 1359 Y HN 0.094 nan 8.280 nan 0.000 0.530 1360 R N 0.032 120.424 120.500 -0.180 0.000 2.092 1360 R HA -0.105 4.234 4.340 -0.000 0.000 0.231 1360 R C 2.241 178.361 176.300 -0.301 0.000 1.119 1360 R CA 1.747 57.703 56.100 -0.240 0.000 0.970 1360 R CB -0.405 29.828 30.300 -0.112 0.000 0.864 1360 R HN 0.444 nan 8.270 nan 0.000 0.440 1361 I N 0.050 120.465 120.570 -0.259 0.000 2.179 1361 I HA -0.346 3.824 4.170 -0.000 0.000 0.242 1361 I C 2.233 178.091 176.117 -0.431 0.000 1.088 1361 I CA 1.470 62.618 61.300 -0.253 0.000 1.357 1361 I CB -0.246 37.668 38.000 -0.142 0.000 1.051 1361 I HN 0.244 nan 8.210 nan 0.000 0.409 1362 M N 0.320 119.561 119.600 -0.598 0.000 2.082 1362 M HA -0.220 4.259 4.480 -0.000 0.000 0.258 1362 M C 2.487 177.898 176.300 -1.482 0.000 1.069 1362 M CA 2.613 57.231 55.300 -1.136 0.000 1.102 1362 M CB -0.982 30.937 32.600 -1.136 0.000 1.336 1362 M HN 0.437 nan 8.290 nan 0.000 0.404 1363 T N -1.919 112.031 114.554 -1.007 0.000 2.951 1363 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 1363 T C 1.630 176.096 174.700 -0.390 0.000 1.073 1363 T CA 1.043 62.770 62.100 -0.621 0.000 1.134 1363 T CB -0.334 68.233 68.868 -0.501 0.000 0.884 1363 T HN 0.479 nan 8.240 nan 0.000 0.479 1364 Q N 0.077 119.647 119.800 -0.384 0.000 2.079 1364 Q HA 0.007 4.347 4.340 -0.000 0.000 0.200 1364 Q C 2.630 178.484 176.000 -0.245 0.000 0.974 1364 Q CA 1.515 57.172 55.803 -0.244 0.000 0.840 1364 Q CB -0.540 28.074 28.738 -0.207 0.000 0.898 1364 Q HN 0.576 nan 8.270 nan 0.000 0.430 1365 C N -0.247 118.815 119.300 -0.398 0.000 2.419 1365 C HA -0.121 4.339 4.460 -0.000 0.000 0.281 1365 C C 1.180 176.013 174.990 -0.263 0.000 1.336 1365 C CA 0.213 59.029 59.018 -0.337 0.000 1.770 1365 C CB -0.792 26.691 27.740 -0.429 0.000 1.929 1365 C HN 0.617 nan 8.230 nan 0.000 0.509 1366 W N 0.669 121.707 121.300 -0.437 0.000 3.151 1366 W HA 0.313 4.973 4.660 -0.000 0.000 0.424 1366 W C 0.431 176.849 176.519 -0.169 0.000 1.012 1366 W CA -0.669 56.201 57.345 -0.791 0.000 2.018 1366 W CB -1.171 27.683 29.460 -1.010 0.000 1.087 1366 W HN 0.357 nan 8.180 nan 0.000 0.740 1367 Q N 0.362 120.259 119.800 0.162 0.000 2.330 1367 Q HA -0.086 4.254 4.340 -0.000 0.000 0.279 1367 Q C 1.784 177.992 176.000 0.347 0.000 1.024 1367 Q CA 0.505 56.430 55.803 0.204 0.000 0.900 1367 Q CB 0.888 29.689 28.738 0.105 0.000 1.221 1367 Q HN 0.317 nan 8.270 nan 0.000 0.396 1368 H N 2.357 121.561 119.070 0.223 0.000 2.353 1368 H HA -0.081 4.475 4.556 -0.000 0.000 0.300 1368 H C -0.330 175.055 175.328 0.096 0.000 1.090 1368 H CA 1.151 57.310 56.048 0.185 0.000 1.327 1368 H CB 0.900 30.716 29.762 0.089 0.000 1.383 1368 H HN 0.441 nan 8.280 nan 0.000 0.508 1369 Q N 1.456 121.321 119.800 0.109 0.000 2.267 1369 Q HA 0.116 4.455 4.340 -0.000 0.000 0.255 1369 Q C -1.570 174.442 176.000 0.020 0.000 0.923 1369 Q CA -1.932 53.885 55.803 0.023 0.000 0.925 1369 Q CB 1.520 30.306 28.738 0.080 0.000 1.195 1369 Q HN 0.356 nan 8.270 nan 0.000 0.417 1370 P HA -0.218 nan 4.420 nan 0.000 0.216 1370 P C 0.905 178.217 177.300 0.021 0.000 1.150 1370 P CA 1.412 64.519 63.100 0.012 0.000 0.837 1370 P CB 0.272 31.960 31.700 -0.020 0.000 0.786 1371 E N 0.164 120.371 120.200 0.012 0.000 2.265 1371 E HA -0.179 4.170 4.350 -0.000 0.000 0.196 1371 E C 0.786 177.392 176.600 0.011 0.000 0.996 1371 E CA 1.068 57.475 56.400 0.012 0.000 0.832 1371 E CB -0.955 28.750 29.700 0.009 0.000 0.756 1371 E HN 0.249 nan 8.360 nan 0.000 0.491 1372 D N 0.926 121.339 120.400 0.022 0.000 2.349 1372 D HA 0.063 4.703 4.640 -0.000 0.000 0.215 1372 D C 0.301 176.604 176.300 0.005 0.000 1.016 1372 D CA 0.175 54.186 54.000 0.017 0.000 0.870 1372 D CB 0.211 41.032 40.800 0.035 0.000 0.917 1372 D HN 0.182 nan 8.370 nan 0.000 0.524 1373 R N 1.630 122.136 120.500 0.010 0.000 2.457 1373 R HA 0.339 4.679 4.340 -0.000 0.000 0.284 1373 R C -2.326 173.938 176.300 -0.061 0.000 1.024 1373 R CA -1.598 54.493 56.100 -0.015 0.000 1.025 1373 R CB 0.477 30.798 30.300 0.036 0.000 1.063 1373 R HN -0.049 nan 8.270 nan 0.000 0.493 1374 P HA -0.019 nan 4.420 nan 0.000 0.271 1374 P C -1.029 176.142 177.300 -0.214 0.000 1.218 1374 P CA -0.377 62.637 63.100 -0.144 0.000 0.780 1374 P CB 0.498 32.100 31.700 -0.164 0.000 0.901 1375 N N 1.017 119.618 118.700 -0.166 0.000 2.379 1375 N HA 0.081 4.821 4.740 -0.000 0.000 0.260 1375 N C 0.467 175.820 175.510 -0.261 0.000 1.254 1375 N CA -0.273 52.669 53.050 -0.179 0.000 0.958 1375 N CB -0.370 38.097 38.487 -0.033 0.000 1.208 1375 N HN 0.221 nan 8.380 nan 0.000 0.532 1376 F N -1.236 118.678 119.950 -0.058 0.000 2.456 1376 F HA 0.153 4.680 4.527 0.000 0.000 0.298 1376 F C 2.381 178.125 175.800 -0.093 0.000 1.104 1376 F CA 0.958 58.886 58.000 -0.119 0.000 1.435 1376 F CB -0.339 38.578 39.000 -0.139 0.000 1.078 1376 F HN 0.679 nan 8.300 nan 0.000 0.546 1377 A N 0.521 123.392 122.820 0.085 0.000 1.908 1377 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 1377 A C 2.197 179.786 177.584 0.009 0.000 1.181 1377 A CA 1.525 53.589 52.037 0.046 0.000 0.627 1377 A CB -0.719 18.303 19.000 0.036 0.000 0.818 1377 A HN 0.241 nan 8.150 nan 0.000 0.445 1378 I N -0.061 120.491 120.570 -0.029 0.000 2.252 1378 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 1378 I C 2.425 178.508 176.117 -0.056 0.000 1.102 1378 I CA 1.096 62.367 61.300 -0.049 0.000 1.385 1378 I CB -1.172 36.784 38.000 -0.073 0.000 1.064 1378 I HN 0.314 nan 8.210 nan 0.000 0.414 1379 I N 0.440 120.952 120.570 -0.095 0.000 2.179 1379 I HA -0.318 3.852 4.170 -0.000 0.000 0.242 1379 I C 2.623 178.734 176.117 -0.010 0.000 1.088 1379 I CA 1.333 62.579 61.300 -0.091 0.000 1.357 1379 I CB -0.330 37.537 38.000 -0.222 0.000 1.051 1379 I HN 0.154 nan 8.210 nan 0.000 0.409 1380 L N 0.372 121.601 121.223 0.011 0.000 2.042 1380 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 1380 L C 2.584 179.491 176.870 0.061 0.000 1.076 1380 L CA 1.548 56.417 54.840 0.049 0.000 0.749 1380 L CB -0.496 41.596 42.059 0.054 0.000 0.893 1380 L HN 0.282 nan 8.230 nan 0.000 0.432 1381 E N -0.354 119.871 120.200 0.042 0.000 2.077 1381 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 1381 E C 2.327 178.972 176.600 0.075 0.000 0.989 1381 E CA 1.094 57.525 56.400 0.052 0.000 0.800 1381 E CB -0.015 29.697 29.700 0.020 0.000 0.746 1381 E HN 0.462 nan 8.360 nan 0.000 0.452 1382 R N 0.267 120.794 120.500 0.046 0.000 2.090 1382 R HA -0.016 4.324 4.340 -0.000 0.000 0.228 1382 R C 2.414 178.782 176.300 0.113 0.000 1.110 1382 R CA 0.747 56.883 56.100 0.059 0.000 0.973 1382 R CB -0.181 30.117 30.300 -0.004 0.000 0.869 1382 R HN 0.189 nan 8.270 nan 0.000 0.440 1383 I N 1.075 121.711 120.570 0.110 0.000 2.226 1383 I HA -0.240 3.929 4.170 -0.000 0.000 0.245 1383 I C 2.189 178.395 176.117 0.148 0.000 1.100 1383 I CA 1.187 62.572 61.300 0.142 0.000 1.374 1383 I CB -0.233 37.874 38.000 0.178 0.000 1.057 1383 I HN 0.142 nan 8.210 nan 0.000 0.413 1384 E N 0.222 120.507 120.200 0.141 0.000 2.077 1384 E HA -0.269 4.081 4.350 -0.000 0.000 0.193 1384 E C 2.057 178.740 176.600 0.139 0.000 0.989 1384 E CA 1.483 57.963 56.400 0.133 0.000 0.800 1384 E CB -0.448 29.323 29.700 0.118 0.000 0.746 1384 E HN 0.531 nan 8.360 nan 0.000 0.452 1385 Y N 0.761 121.082 120.300 0.036 0.000 2.274 1385 Y HA -0.228 4.322 4.550 -0.000 0.000 0.290 1385 Y C 2.471 178.385 175.900 0.024 0.000 1.145 1385 Y CA 0.980 59.094 58.100 0.024 0.000 1.203 1385 Y CB -0.234 38.232 38.460 0.010 0.000 0.984 1385 Y HN 0.050 nan 8.280 nan 0.000 0.533 1386 C N -0.513 118.859 119.300 0.121 0.000 2.440 1386 C HA -0.175 4.285 4.460 -0.000 0.000 0.278 1386 C C 2.816 177.810 174.990 0.006 0.000 1.295 1386 C CA 1.827 60.875 59.018 0.050 0.000 1.738 1386 C CB -1.519 26.263 27.740 0.071 0.000 1.987 1386 C HN 0.754 nan 8.230 nan 0.000 0.492 1387 T N -1.244 113.332 114.554 0.036 0.000 3.007 1387 T HA -0.159 4.191 4.350 -0.000 0.000 0.270 1387 T C 1.434 176.123 174.700 -0.019 0.000 1.107 1387 T CA 1.266 63.384 62.100 0.030 0.000 1.118 1387 T CB -0.404 68.525 68.868 0.102 0.000 0.889 1387 T HN 0.669 nan 8.240 nan 0.000 0.506 1388 Q N 0.606 120.356 119.800 -0.084 0.000 2.424 1388 Q HA 0.121 4.461 4.340 -0.000 0.000 0.204 1388 Q C 0.174 176.065 176.000 -0.182 0.000 0.933 1388 Q CA 0.204 55.922 55.803 -0.141 0.000 0.929 1388 Q CB 0.226 28.833 28.738 -0.219 0.000 1.037 1388 Q HN 0.460 nan 8.270 nan 0.000 0.511 1389 D N 0.570 120.859 120.400 -0.184 0.000 2.347 1389 D HA 0.090 4.730 4.640 -0.000 0.000 0.235 1389 D C -1.989 174.265 176.300 -0.077 0.000 1.149 1389 D CA -2.340 51.567 54.000 -0.155 0.000 0.850 1389 D CB 1.576 42.288 40.800 -0.145 0.000 1.061 1389 D HN -0.138 nan 8.370 nan 0.000 0.487 1390 P HA -0.076 nan 4.420 nan 0.000 0.218 1390 P C 0.666 177.950 177.300 -0.026 0.000 1.149 1390 P CA 0.708 63.785 63.100 -0.037 0.000 0.817 1390 P CB 0.407 32.087 31.700 -0.032 0.000 0.785 1391 D N -1.164 119.221 120.400 -0.025 0.000 2.264 1391 D HA -0.077 4.563 4.640 -0.000 0.000 0.208 1391 D C 1.881 178.175 176.300 -0.010 0.000 0.966 1391 D CA 0.790 54.781 54.000 -0.014 0.000 0.864 1391 D CB -0.290 40.504 40.800 -0.010 0.000 0.933 1391 D HN 0.041 nan 8.370 nan 0.000 0.499 1392 V N 1.634 121.541 119.914 -0.012 0.000 2.300 1392 V HA -0.138 3.982 4.120 -0.000 0.000 0.241 1392 V C 2.460 178.561 176.094 0.013 0.000 1.034 1392 V CA 1.151 63.452 62.300 0.001 0.000 1.021 1392 V CB -0.401 31.423 31.823 0.001 0.000 0.662 1392 V HN 0.226 nan 8.190 nan 0.000 0.458 1393 I N -1.381 119.190 120.570 0.001 0.000 2.928 1393 I HA -0.004 4.166 4.170 -0.000 0.000 0.266 1393 I C 1.651 177.764 176.117 -0.007 0.000 1.234 1393 I CA 1.285 62.584 61.300 -0.001 0.000 1.483 1393 I CB -0.523 37.464 38.000 -0.022 0.000 1.097 1393 I HN 0.205 nan 8.210 nan 0.000 0.455 1394 N N 1.437 120.132 118.700 -0.008 0.000 2.461 1394 N HA 0.036 4.776 4.740 -0.000 0.000 0.188 1394 N C 0.117 175.624 175.510 -0.005 0.000 1.134 1394 N CA 0.349 53.394 53.050 -0.008 0.000 0.878 1394 N CB -0.041 38.440 38.487 -0.010 0.000 0.972 1394 N HN 0.356 nan 8.380 nan 0.000 0.456 1395 T N 1.173 115.728 114.554 0.002 0.000 2.870 1395 T HA 0.335 4.685 4.350 -0.000 0.000 0.300 1395 T C 0.453 175.155 174.700 0.004 0.000 0.989 1395 T CA -0.447 61.656 62.100 0.005 0.000 1.139 1395 T CB 1.161 70.038 68.868 0.014 0.000 0.920 1395 T HN 0.133 nan 8.240 nan 0.000 0.537 1396 A N 4.187 127.005 122.820 -0.004 0.000 2.401 1396 A HA 0.518 4.838 4.320 -0.000 0.000 0.259 1396 A C 0.278 177.857 177.584 -0.010 0.000 1.103 1396 A CA -0.577 51.455 52.037 -0.009 0.000 0.789 1396 A CB 0.021 19.014 19.000 -0.012 0.000 1.035 1396 A HN 0.872 nan 8.150 nan 0.000 0.491 1397 L N 3.906 125.119 121.223 -0.016 0.000 2.371 1397 L HA 0.310 4.650 4.340 -0.000 0.000 0.272 1397 L C -1.619 175.236 176.870 -0.025 0.000 1.124 1397 L CA -1.659 53.167 54.840 -0.023 0.000 0.816 1397 L CB 0.844 42.879 42.059 -0.039 0.000 1.129 1397 L HN 0.561 nan 8.230 nan 0.000 0.448 1398 P HA 0.199 nan 4.420 nan 0.000 0.271 1398 P C -0.868 176.421 177.300 -0.018 0.000 1.216 1398 P CA 0.040 63.127 63.100 -0.021 0.000 0.776 1398 P CB 0.894 32.580 31.700 -0.023 0.000 0.881 1399 I N 2.251 122.812 120.570 -0.015 0.000 2.378 1399 I HA 0.185 4.355 4.170 -0.000 0.000 0.291 1399 I C 1.089 177.201 176.117 -0.007 0.000 0.992 1399 I CA -0.654 60.637 61.300 -0.016 0.000 1.154 1399 I CB 1.606 39.595 38.000 -0.019 0.000 1.315 1399 I HN 0.394 nan 8.210 nan 0.000 0.448 1400 E N 6.121 126.317 120.200 -0.007 0.000 2.364 1400 E HA 0.463 4.813 4.350 -0.000 0.000 0.270 1400 E C -0.552 176.042 176.600 -0.010 0.000 1.398 1400 E CA -0.275 56.125 56.400 -0.001 0.000 1.721 1400 E CB 0.099 29.802 29.700 0.005 0.000 1.525 1400 E HN 0.655 nan 8.360 nan 0.000 0.446 1401 Y N 0.000 120.293 120.300 -0.012 0.000 2.660 1401 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 1401 Y CA 0.000 nan 58.100 nan 0.000 1.940 1401 Y CB 0.000 nan 38.460 nan 0.000 1.050 1401 Y HN 0.000 nan 8.280 nan 0.000 0.758