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 3aeh_1_B DATA FIRST_RESID 1072 DATA SEQUENCE GTMARNDGQG KAAATFMHIS YNNFITEVDN LNKRMGDLRD INGEAGTWVR DATA SEQUENCE LLNGSGSADG GFTDHYTLLQ MGADRKHELG SMDLFTGVMA TYTDTDASAD DATA SEQUENCE LYSGKTKSWG GGFYASGLFR SGAYFDVIAK YIHNENKYDL NFAGAGKQNF DATA SEQUENCE RSHSLYAGAE VGYRYHLTDT TFVEPQAELV WGRLQGQXXX XXXXXXXXXX DATA SEQUENCE XXNSVNPLVG RTGVVSGKTF SGKDWSLTAR AGLHYEFDLT DSXXXXXXXX DATA SEQUENCE XXXXXXXXRK DSRMLYGVGL NARFGDNTRL GLEVERSAFG KYNTDDAINA DATA SEQUENCE NIRYSFLE 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 1072 G HA2 0.000 nan 3.960 nan 0.000 0.244 1072 G HA3 0.000 3.887 3.960 -0.121 0.000 0.244 1072 G C 0.000 174.907 174.900 0.012 0.000 0.946 1072 G CA 0.000 45.108 45.100 0.013 0.000 0.502 1073 T N 0.952 115.512 114.554 0.009 0.000 2.699 1073 T HA -0.155 4.122 4.350 -0.121 0.000 0.268 1073 T C 2.579 177.282 174.700 0.006 0.000 1.036 1073 T CA 2.311 64.415 62.100 0.006 0.000 1.147 1073 T CB -0.324 68.546 68.868 0.003 0.000 0.862 1073 T HN 0.323 nan 8.240 nan 0.000 0.446 1074 M N 0.532 120.136 119.600 0.007 0.000 2.175 1074 M HA 0.025 4.432 4.480 -0.121 0.000 0.264 1074 M C 2.794 179.101 176.300 0.012 0.000 1.063 1074 M CA 1.327 56.630 55.300 0.007 0.000 1.119 1074 M CB -0.366 32.237 32.600 0.006 0.000 1.377 1074 M HN 0.295 nan 8.290 nan 0.000 0.415 1075 A N 0.595 123.426 122.820 0.019 0.000 1.877 1075 A HA -0.146 4.102 4.320 -0.121 0.000 0.216 1075 A C 2.173 179.780 177.584 0.039 0.000 1.186 1075 A CA 1.473 53.529 52.037 0.032 0.000 0.620 1075 A CB -0.594 18.428 19.000 0.036 0.000 0.822 1075 A HN 0.403 nan 8.150 nan 0.000 0.443 1076 R N -0.441 120.077 120.500 0.029 0.000 2.096 1076 R HA -0.111 4.156 4.340 -0.121 0.000 0.235 1076 R C 1.785 178.097 176.300 0.019 0.000 1.127 1076 R CA 1.431 57.547 56.100 0.027 0.000 0.968 1076 R CB -0.386 29.923 30.300 0.015 0.000 0.861 1076 R HN 0.505 nan 8.270 nan 0.000 0.440 1077 N N 0.816 119.521 118.700 0.007 0.000 2.142 1077 N HA -0.160 4.508 4.740 -0.121 0.000 0.186 1077 N C 1.356 176.861 175.510 -0.010 0.000 1.023 1077 N CA 1.369 54.416 53.050 -0.006 0.000 0.852 1077 N CB -0.392 38.089 38.487 -0.010 0.000 0.998 1077 N HN 0.256 nan 8.380 nan 0.000 0.424 1078 D N -0.142 120.257 120.400 -0.001 0.000 2.097 1078 D HA -0.065 4.502 4.640 -0.121 0.000 0.195 1078 D C 1.984 178.276 176.300 -0.013 0.000 0.989 1078 D CA 1.491 55.482 54.000 -0.015 0.000 0.827 1078 D CB -0.437 40.360 40.800 -0.005 0.000 0.966 1078 D HN 0.257 nan 8.370 nan 0.000 0.456 1079 G N -0.315 108.523 108.800 0.064 0.000 2.469 1079 G HA2 -0.351 3.537 3.960 -0.121 0.000 0.219 1079 G HA3 -0.351 3.537 3.960 -0.121 0.000 0.219 1079 G C 1.637 176.621 174.900 0.140 0.000 1.150 1079 G CA 0.924 46.139 45.100 0.192 0.000 0.763 1079 G HN 0.332 nan 8.290 nan 0.000 0.561 1080 Q N -0.212 119.608 119.800 0.034 0.000 2.050 1080 Q HA -0.026 4.241 4.340 -0.121 0.000 0.202 1080 Q C 2.879 178.834 176.000 -0.075 0.000 0.980 1080 Q CA 1.253 57.036 55.803 -0.033 0.000 0.840 1080 Q CB -0.469 28.241 28.738 -0.046 0.000 0.898 1080 Q HN 0.453 nan 8.270 nan 0.000 0.424 1081 G N 0.961 109.718 108.800 -0.072 0.000 2.446 1081 G HA2 -0.288 3.600 3.960 -0.121 0.000 0.217 1081 G HA3 -0.288 3.600 3.960 -0.121 0.000 0.217 1081 G C 1.251 176.073 174.900 -0.129 0.000 1.168 1081 G CA 0.930 45.974 45.100 -0.094 0.000 0.771 1081 G HN 0.222 nan 8.290 nan 0.000 0.551 1082 K N 0.431 120.719 120.400 -0.187 0.000 2.097 1082 K HA 0.118 4.366 4.320 -0.121 0.000 0.205 1082 K C 2.962 179.467 176.600 -0.159 0.000 1.050 1082 K CA 0.842 56.910 56.287 -0.364 0.000 0.938 1082 K CB -0.168 31.740 32.500 -0.987 0.000 0.718 1082 K HN 0.275 nan 8.250 nan 0.000 0.442 1083 A N 1.545 124.396 122.820 0.052 0.000 1.873 1083 A HA -0.107 4.140 4.320 -0.121 0.000 0.215 1083 A C 2.377 179.765 177.584 -0.327 0.000 1.186 1083 A CA 1.813 53.847 52.037 -0.004 0.000 0.616 1083 A CB -0.705 18.198 19.000 -0.161 0.000 0.823 1083 A HN 0.319 nan 8.150 nan 0.000 0.442 1084 A N -0.121 122.529 122.820 -0.284 0.000 1.902 1084 A HA 0.136 4.384 4.320 -0.121 0.000 0.217 1084 A C 2.502 179.996 177.584 -0.149 0.000 1.181 1084 A CA 2.191 54.081 52.037 -0.246 0.000 0.623 1084 A CB -1.011 17.880 19.000 -0.182 0.000 0.818 1084 A HN 1.061 nan 8.150 nan 0.000 0.443 1085 A N -1.200 121.548 122.820 -0.121 0.000 1.898 1085 A HA -0.062 4.185 4.320 -0.121 0.000 0.216 1085 A C 2.314 179.872 177.584 -0.043 0.000 1.181 1085 A CA 2.260 54.218 52.037 -0.132 0.000 0.620 1085 A CB -1.196 17.767 19.000 -0.062 0.000 0.819 1085 A HN 0.425 nan 8.150 nan 0.000 0.442 1086 T N -0.316 114.292 114.554 0.090 0.000 2.701 1086 T HA -0.089 4.188 4.350 -0.121 0.000 0.263 1086 T C 1.555 176.285 174.700 0.051 0.000 1.040 1086 T CA 1.544 63.724 62.100 0.133 0.000 1.147 1086 T CB -0.429 68.583 68.868 0.240 0.000 0.865 1086 T HN 0.358 nan 8.240 nan 0.000 0.426 1087 F N 1.843 121.618 119.950 -0.291 0.000 2.091 1087 F HA -0.114 4.341 4.527 -0.120 0.000 0.299 1087 F C 2.456 178.180 175.800 -0.127 0.000 1.103 1087 F CA 0.994 58.775 58.000 -0.364 0.000 1.228 1087 F CB -1.178 37.510 39.000 -0.519 0.000 0.984 1087 F HN 0.227 nan 8.300 nan 0.000 0.477 1088 M N -0.643 118.984 119.600 0.045 0.000 2.086 1088 M HA -0.227 4.181 4.480 -0.121 0.000 0.261 1088 M C 2.063 178.365 176.300 0.003 0.000 1.067 1088 M CA 2.161 57.444 55.300 -0.028 0.000 1.116 1088 M CB -1.102 31.403 32.600 -0.159 0.000 1.348 1088 M HN 0.174 nan 8.290 nan 0.000 0.407 1089 H N 0.550 119.642 119.070 0.037 0.000 2.319 1089 H HA -0.065 4.418 4.556 -0.123 0.000 0.299 1089 H C 2.110 177.474 175.328 0.061 0.000 1.092 1089 H CA 2.214 58.298 56.048 0.060 0.000 1.302 1089 H CB -0.142 29.684 29.762 0.106 0.000 1.373 1089 H HN 0.397 nan 8.280 nan 0.000 0.497 1090 I N -0.190 120.437 120.570 0.096 0.000 2.179 1090 I HA -0.277 3.820 4.170 -0.121 0.000 0.242 1090 I C 2.403 178.562 176.117 0.070 0.000 1.088 1090 I CA 0.975 62.278 61.300 0.006 0.000 1.357 1090 I CB -0.184 37.666 38.000 -0.250 0.000 1.051 1090 I HN 0.185 nan 8.210 nan 0.000 0.409 1091 S N -0.039 115.729 115.700 0.113 0.000 2.365 1091 S HA -0.277 4.121 4.470 -0.121 0.000 0.225 1091 S C 1.984 176.676 174.600 0.154 0.000 1.039 1091 S CA 1.741 60.014 58.200 0.121 0.000 1.033 1091 S CB -0.507 62.779 63.200 0.142 0.000 0.887 1091 S HN 0.454 nan 8.310 nan 0.000 0.447 1092 Y N 2.678 122.995 120.300 0.028 0.000 2.220 1092 Y HA -0.081 4.402 4.550 -0.112 0.000 0.291 1092 Y C 2.204 178.115 175.900 0.017 0.000 1.129 1092 Y CA 1.420 59.531 58.100 0.019 0.000 1.161 1092 Y CB -0.729 37.718 38.460 -0.022 0.000 0.997 1092 Y HN 0.207 nan 8.280 nan 0.000 0.522 1093 N N 0.507 119.214 118.700 0.012 0.000 2.094 1093 N HA -0.235 4.433 4.740 -0.121 0.000 0.191 1093 N C 1.406 176.856 175.510 -0.100 0.000 1.023 1093 N CA 1.960 54.946 53.050 -0.107 0.000 0.857 1093 N CB -0.420 38.116 38.487 0.081 0.000 1.013 1093 N HN 0.337 nan 8.380 nan 0.000 0.426 1094 N N -0.481 118.207 118.700 -0.020 0.000 2.166 1094 N HA -0.146 4.521 4.740 -0.121 0.000 0.186 1094 N C 1.477 176.930 175.510 -0.096 0.000 1.019 1094 N CA 0.701 53.719 53.050 -0.053 0.000 0.856 1094 N CB -0.556 37.907 38.487 -0.041 0.000 0.993 1094 N HN 0.339 nan 8.380 nan 0.000 0.426 1095 F N 1.902 121.745 119.950 -0.178 0.000 2.084 1095 F HA -0.067 4.407 4.527 -0.088 0.000 0.296 1095 F C 2.033 177.687 175.800 -0.243 0.000 1.111 1095 F CA 0.987 58.883 58.000 -0.173 0.000 1.224 1095 F CB -0.242 38.678 39.000 -0.133 0.000 0.991 1095 F HN -0.025 nan 8.300 nan 0.000 0.471 1096 I N -2.143 118.278 120.570 -0.248 0.000 2.676 1096 I HA -0.099 3.999 4.170 -0.121 0.000 0.259 1096 I C 1.843 177.740 176.117 -0.366 0.000 1.194 1096 I CA 1.554 62.644 61.300 -0.349 0.000 1.473 1096 I CB -1.568 36.100 38.000 -0.552 0.000 1.096 1096 I HN -0.038 nan 8.210 nan 0.000 0.443 1097 T N 1.035 115.363 114.554 -0.376 0.000 2.881 1097 T HA -0.084 4.194 4.350 -0.121 0.000 0.270 1097 T C 1.571 176.031 174.700 -0.399 0.000 1.068 1097 T CA 1.496 63.331 62.100 -0.441 0.000 1.131 1097 T CB -0.296 68.319 68.868 -0.420 0.000 0.871 1097 T HN 0.469 nan 8.240 nan 0.000 0.479 1098 E N 0.917 120.883 120.200 -0.388 0.000 2.481 1098 E HA 0.095 4.372 4.350 -0.121 0.000 0.195 1098 E C 0.445 176.853 176.600 -0.320 0.000 1.047 1098 E CA -0.001 56.161 56.400 -0.397 0.000 0.867 1098 E CB -0.120 29.269 29.700 -0.518 0.000 0.858 1098 E HN 0.290 nan 8.360 nan 0.000 0.513 1099 V N 4.186 123.978 119.914 -0.202 0.000 2.485 1099 V HA -0.033 4.014 4.120 -0.121 0.000 0.287 1099 V C 0.440 176.497 176.094 -0.062 0.000 1.022 1099 V CA 0.203 62.490 62.300 -0.021 0.000 1.067 1099 V CB 0.393 32.170 31.823 -0.077 0.000 0.967 1099 V HN 0.201 nan 8.190 nan 0.000 0.479 1100 D N 4.216 124.608 120.400 -0.014 0.000 2.727 1100 D HA 0.581 5.149 4.640 -0.121 0.000 0.264 1100 D C -0.689 175.588 176.300 -0.040 0.000 1.101 1100 D CA -0.898 53.059 54.000 -0.072 0.000 1.122 1100 D CB 1.552 42.269 40.800 -0.138 0.000 1.390 1100 D HN 0.553 nan 8.370 nan 0.000 0.606 1101 N N -1.879 116.777 118.700 -0.073 0.000 2.934 1101 N HA 0.232 4.900 4.740 -0.121 0.000 0.253 1101 N C 0.142 175.588 175.510 -0.107 0.000 1.466 1101 N CA -0.860 52.161 53.050 -0.048 0.000 0.858 1101 N CB 0.662 39.125 38.487 -0.039 0.000 1.459 1101 N HN 0.299 nan 8.380 nan 0.000 0.532 1102 L N 0.441 121.616 121.223 -0.081 0.000 2.012 1102 L HA -0.003 4.265 4.340 -0.121 0.000 0.210 1102 L C 1.667 178.378 176.870 -0.265 0.000 1.073 1102 L CA 2.098 56.824 54.840 -0.191 0.000 0.748 1102 L CB -1.269 40.691 42.059 -0.166 0.000 0.891 1102 L HN 0.873 nan 8.230 nan 0.000 0.431 1103 N N -0.750 117.828 118.700 -0.204 0.000 2.188 1103 N HA -0.196 4.471 4.740 -0.121 0.000 0.184 1103 N C 1.822 177.225 175.510 -0.179 0.000 1.018 1103 N CA 1.443 54.376 53.050 -0.196 0.000 0.858 1103 N CB -0.050 38.368 38.487 -0.114 0.000 0.989 1103 N HN 0.337 nan 8.380 nan 0.000 0.426 1104 K N -0.211 120.099 120.400 -0.150 0.000 2.097 1104 K HA -0.110 4.137 4.320 -0.121 0.000 0.206 1104 K C 2.147 178.625 176.600 -0.204 0.000 1.049 1104 K CA 0.976 57.184 56.287 -0.132 0.000 0.933 1104 K CB -0.052 32.389 32.500 -0.099 0.000 0.717 1104 K HN 0.192 nan 8.250 nan 0.000 0.442 1105 R N -0.166 120.146 120.500 -0.314 0.000 2.090 1105 R HA 0.053 4.321 4.340 -0.121 0.000 0.219 1105 R C 1.732 177.562 176.300 -0.784 0.000 1.100 1105 R CA 0.859 56.662 56.100 -0.495 0.000 0.991 1105 R CB 0.270 30.243 30.300 -0.544 0.000 0.893 1105 R HN 0.058 nan 8.270 nan 0.000 0.443 1106 M N -0.072 119.100 119.600 -0.714 0.000 2.461 1106 M HA 0.257 4.664 4.480 -0.121 0.000 0.255 1106 M C 0.997 177.005 176.300 -0.487 0.000 1.137 1106 M CA 0.772 55.587 55.300 -0.808 0.000 1.086 1106 M CB 0.311 32.433 32.600 -0.796 0.000 1.356 1106 M HN 0.349 nan 8.290 nan 0.000 0.487 1107 G N 1.665 110.262 108.800 -0.339 0.000 2.601 1107 G HA2 -0.238 3.649 3.960 -0.121 0.000 0.252 1107 G HA3 -0.238 3.649 3.960 -0.121 0.000 0.252 1107 G C -0.559 174.188 174.900 -0.255 0.000 1.294 1107 G CA -0.094 44.872 45.100 -0.223 0.000 0.912 1107 G HN 0.412 nan 8.290 nan 0.000 0.574 1108 D N 0.371 120.656 120.400 -0.192 0.000 2.317 1108 D HA 0.426 4.993 4.640 -0.121 0.000 0.252 1108 D C 1.455 177.601 176.300 -0.257 0.000 1.174 1108 D CA -0.286 53.587 54.000 -0.211 0.000 0.866 1108 D CB 0.546 41.269 40.800 -0.128 0.000 1.127 1108 D HN 0.410 nan 8.370 nan 0.000 0.467 1109 L N 3.452 124.472 121.223 -0.339 0.000 2.667 1109 L HA 0.217 4.485 4.340 -0.121 0.000 0.232 1109 L C 1.125 177.895 176.870 -0.167 0.000 1.138 1109 L CA -0.291 54.305 54.840 -0.407 0.000 0.921 1109 L CB -0.005 41.582 42.059 -0.787 0.000 1.180 1109 L HN 0.107 nan 8.230 nan 0.000 0.487 1110 R N 1.263 121.678 120.500 -0.143 0.000 2.438 1110 R HA 0.060 4.328 4.340 -0.121 0.000 0.287 1110 R C -0.249 176.030 176.300 -0.036 0.000 1.077 1110 R CA -0.059 55.992 56.100 -0.082 0.000 1.034 1110 R CB 0.443 30.669 30.300 -0.123 0.000 0.993 1110 R HN 0.131 nan 8.270 nan 0.000 0.459 1111 D N 1.371 121.765 120.400 -0.011 0.000 2.723 1111 D HA -0.205 4.362 4.640 -0.121 0.000 0.236 1111 D C -0.259 176.043 176.300 0.003 0.000 1.138 1111 D CA 0.917 54.908 54.000 -0.015 0.000 0.676 1111 D CB -1.088 39.690 40.800 -0.036 0.000 1.069 1111 D HN 0.473 nan 8.370 nan 0.000 0.430 1112 I N 0.735 121.336 120.570 0.052 0.000 2.371 1112 I HA 0.038 4.135 4.170 -0.121 0.000 0.290 1112 I C 1.125 177.246 176.117 0.007 0.000 1.028 1112 I CA -0.337 60.995 61.300 0.054 0.000 1.345 1112 I CB 0.810 38.902 38.000 0.152 0.000 1.407 1112 I HN -0.138 nan 8.210 nan 0.000 0.501 1113 N N 5.709 124.401 118.700 -0.014 0.000 3.083 1113 N HA 0.439 5.106 4.740 -0.121 0.000 0.260 1113 N C -0.662 174.819 175.510 -0.049 0.000 1.163 1113 N CA -0.180 52.850 53.050 -0.033 0.000 1.060 1113 N CB 0.432 38.906 38.487 -0.021 0.000 1.345 1113 N HN 0.795 nan 8.380 nan 0.000 0.515 1114 G N 0.955 109.708 108.800 -0.079 0.000 2.716 1114 G HA2 0.155 4.042 3.960 -0.121 0.000 0.299 1114 G HA3 0.155 4.042 3.960 -0.121 0.000 0.299 1114 G C -0.075 174.714 174.900 -0.184 0.000 1.450 1114 G CA -0.710 44.316 45.100 -0.123 0.000 0.968 1114 G HN 0.378 nan 8.290 nan 0.000 0.566 1115 E N 0.639 120.697 120.200 -0.236 0.000 2.474 1115 E HA 0.513 4.790 4.350 -0.121 0.000 0.195 1115 E C 0.780 177.171 176.600 -0.348 0.000 1.039 1115 E CA 0.411 56.647 56.400 -0.273 0.000 0.881 1115 E CB 1.067 30.642 29.700 -0.208 0.000 0.970 1115 E HN 0.741 nan 8.360 nan 0.000 0.486 1116 A N 0.531 123.041 122.820 -0.517 0.000 2.515 1116 A HA 0.777 5.024 4.320 -0.121 0.000 0.296 1116 A C -0.411 176.763 177.584 -0.683 0.000 1.094 1116 A CA -0.267 51.389 52.037 -0.635 0.000 0.718 1116 A CB 2.104 20.588 19.000 -0.860 0.000 1.307 1116 A HN 0.184 nan 8.150 nan 0.000 0.408 1117 G N -0.497 108.166 108.800 -0.227 0.000 2.696 1117 G HA2 0.626 4.513 3.960 -0.121 0.000 0.295 1117 G HA3 0.626 4.513 3.960 -0.121 0.000 0.295 1117 G C -1.161 173.941 174.900 0.335 0.000 1.398 1117 G CA -0.328 44.833 45.100 0.102 0.000 0.920 1117 G HN 0.781 nan 8.290 nan 0.000 0.492 1118 T N 1.800 116.629 114.554 0.457 0.000 2.893 1118 T HA 0.777 5.055 4.350 -0.121 0.000 0.293 1118 T C -1.015 173.899 174.700 0.357 0.000 1.027 1118 T CA -0.509 61.785 62.100 0.323 0.000 0.988 1118 T CB 1.298 70.361 68.868 0.326 0.000 1.043 1118 T HN 0.674 nan 8.240 nan 0.000 0.461 1119 W N 1.262 122.648 121.300 0.142 0.000 3.075 1119 W HA 0.830 5.417 4.660 -0.121 0.000 0.334 1119 W C -2.184 174.377 176.519 0.069 0.000 1.243 1119 W CA -1.073 56.327 57.345 0.093 0.000 1.170 1119 W CB 0.609 30.092 29.460 0.039 0.000 1.452 1119 W HN 0.612 nan 8.180 nan 0.000 0.572 1120 V N 2.109 122.257 119.914 0.391 0.000 2.925 1120 V HA 0.765 4.812 4.120 -0.121 0.000 0.311 1120 V C -1.112 175.212 176.094 0.384 0.000 1.104 1120 V CA -0.954 61.503 62.300 0.262 0.000 0.954 1120 V CB 2.215 34.102 31.823 0.107 0.000 1.022 1120 V HN 0.741 nan 8.190 nan 0.000 0.427 1121 R N 4.868 125.579 120.500 0.353 0.000 2.621 1121 R HA 0.725 4.992 4.340 -0.121 0.000 0.284 1121 R C -2.540 173.863 176.300 0.171 0.000 0.998 1121 R CA -0.606 55.644 56.100 0.251 0.000 0.895 1121 R CB 1.942 32.397 30.300 0.258 0.000 1.195 1121 R HN 0.613 nan 8.270 nan 0.000 0.450 1122 L N 4.261 125.555 121.223 0.118 0.000 2.385 1122 L HA 0.575 4.842 4.340 -0.121 0.000 0.273 1122 L C -1.051 175.872 176.870 0.089 0.000 0.990 1122 L CA -0.727 54.173 54.840 0.099 0.000 0.821 1122 L CB 1.623 43.729 42.059 0.078 0.000 1.279 1122 L HN 0.539 nan 8.230 nan 0.000 0.412 1123 L N 3.053 124.339 121.223 0.105 0.000 2.386 1123 L HA 0.739 5.006 4.340 -0.121 0.000 0.271 1123 L C -1.254 175.699 176.870 0.138 0.000 0.993 1123 L CA -0.038 54.877 54.840 0.125 0.000 0.819 1123 L CB 1.824 43.976 42.059 0.155 0.000 1.294 1123 L HN 0.548 nan 8.230 nan 0.000 0.414 1124 N N 2.833 121.584 118.700 0.086 0.000 2.410 1124 N HA 0.866 5.534 4.740 -0.121 0.000 0.287 1124 N C -0.730 174.713 175.510 -0.112 0.000 1.044 1124 N CA -0.015 53.032 53.050 -0.006 0.000 0.881 1124 N CB 2.236 40.714 38.487 -0.014 0.000 1.405 1124 N HN 0.931 nan 8.380 nan 0.000 0.490 1125 G N -0.329 108.181 108.800 -0.482 0.000 2.645 1125 G HA2 0.655 4.543 3.960 -0.121 0.000 0.292 1125 G HA3 0.655 4.543 3.960 -0.121 0.000 0.292 1125 G C -1.627 172.738 174.900 -0.892 0.000 1.415 1125 G CA -0.472 44.301 45.100 -0.545 0.000 0.785 1125 G HN 0.352 nan 8.290 nan 0.000 0.483 1126 S N -1.579 113.892 115.700 -0.381 0.000 2.540 1126 S HA 0.850 5.247 4.470 -0.121 0.000 0.275 1126 S C -0.035 174.605 174.600 0.066 0.000 1.123 1126 S CA -0.221 57.891 58.200 -0.146 0.000 0.907 1126 S CB 1.911 65.054 63.200 -0.095 0.000 1.081 1126 S HN 1.313 nan 8.310 nan 0.000 0.476 1127 G N 0.873 109.792 108.800 0.198 0.000 2.630 1127 G HA2 0.807 4.695 3.960 -0.121 0.000 0.296 1127 G HA3 0.807 4.695 3.960 -0.121 0.000 0.296 1127 G C -1.007 173.947 174.900 0.089 0.000 1.285 1127 G CA -0.812 44.328 45.100 0.067 0.000 0.958 1127 G HN 1.020 nan 8.290 nan 0.000 0.479 1128 S N -1.599 114.072 115.700 -0.049 0.000 2.550 1128 S HA 0.914 5.311 4.470 -0.121 0.000 0.270 1128 S C -0.375 174.312 174.600 0.146 0.000 1.145 1128 S CA -0.006 58.290 58.200 0.159 0.000 0.852 1128 S CB 1.708 64.935 63.200 0.045 0.000 1.119 1128 S HN 2.133 nan 8.310 nan 0.000 0.465 1129 A N 1.006 124.033 122.820 0.344 0.000 2.583 1129 A HA 0.837 5.085 4.320 -0.121 0.000 0.299 1129 A C -1.298 176.392 177.584 0.176 0.000 1.258 1129 A CA -0.519 51.646 52.037 0.213 0.000 0.682 1129 A CB 0.009 19.113 19.000 0.172 0.000 1.332 1129 A HN 0.978 nan 8.150 nan 0.000 0.485 1130 D N -0.997 119.473 120.400 0.118 0.000 2.398 1130 D HA 0.420 4.987 4.640 -0.121 0.000 0.247 1130 D C 0.990 177.340 176.300 0.084 0.000 1.227 1130 D CA 0.693 54.745 54.000 0.087 0.000 0.980 1130 D CB 0.068 40.907 40.800 0.065 0.000 1.106 1130 D HN 1.971 nan 8.370 nan 0.000 0.493 1131 G N -1.764 107.070 108.800 0.057 0.000 2.179 1131 G HA2 0.011 3.898 3.960 -0.121 0.000 0.257 1131 G HA3 0.011 3.898 3.960 -0.121 0.000 0.257 1131 G C 1.079 176.006 174.900 0.045 0.000 1.010 1131 G CA 0.633 45.758 45.100 0.043 0.000 0.736 1131 G HN 1.694 nan 8.290 nan 0.000 0.513 1132 G N -1.551 107.284 108.800 0.058 0.000 2.143 1132 G HA2 -0.098 3.789 3.960 -0.121 0.000 0.248 1132 G HA3 -0.098 3.789 3.960 -0.121 0.000 0.248 1132 G C 0.344 175.265 174.900 0.035 0.000 0.991 1132 G CA 0.492 45.610 45.100 0.031 0.000 0.689 1132 G HN 1.938 nan 8.290 nan 0.000 0.522 1133 F N 2.841 122.772 119.950 -0.032 0.000 2.456 1133 F HA 0.563 5.016 4.527 -0.123 0.000 0.358 1133 F C 0.821 176.647 175.800 0.042 0.000 1.095 1133 F CA 0.713 58.709 58.000 -0.008 0.000 1.216 1133 F CB 1.031 40.058 39.000 0.046 0.000 1.125 1133 F HN 0.364 nan 8.300 nan 0.000 0.549 1134 T N 2.888 117.009 114.554 -0.721 0.000 2.916 1134 T HA 0.606 4.883 4.350 -0.121 0.000 0.305 1134 T C -1.467 172.855 174.700 -0.629 0.000 1.119 1134 T CA -0.892 60.940 62.100 -0.446 0.000 1.008 1134 T CB 2.132 70.909 68.868 -0.152 0.000 1.129 1134 T HN 0.678 nan 8.240 nan 0.000 0.480 1135 D N -0.180 120.105 120.400 -0.191 0.000 2.596 1135 D HA 0.437 5.004 4.640 -0.121 0.000 0.262 1135 D C -1.167 175.243 176.300 0.184 0.000 1.210 1135 D CA -0.640 53.361 54.000 0.001 0.000 0.873 1135 D CB 1.445 42.353 40.800 0.180 0.000 1.408 1135 D HN 0.927 nan 8.370 nan 0.000 0.441 1136 H N -2.039 117.055 119.070 0.040 0.000 2.961 1136 H HA 0.635 5.118 4.556 -0.122 0.000 0.371 1136 H C -1.318 174.012 175.328 0.002 0.000 1.190 1136 H CA -0.826 55.152 56.048 -0.117 0.000 1.138 1136 H CB 1.324 30.997 29.762 -0.149 0.000 1.816 1136 H HN 0.629 nan 8.280 nan 0.000 0.551 1137 Y N -0.980 119.411 120.300 0.151 0.000 2.571 1137 Y HA 0.645 5.128 4.550 -0.112 0.000 0.341 1137 Y C -1.154 174.798 175.900 0.087 0.000 1.076 1137 Y CA -1.101 57.046 58.100 0.078 0.000 1.029 1137 Y CB 1.788 40.292 38.460 0.073 0.000 1.308 1137 Y HN 0.644 nan 8.280 nan 0.000 0.461 1138 T N 3.622 118.316 114.554 0.233 0.000 2.848 1138 T HA 0.671 4.948 4.350 -0.121 0.000 0.285 1138 T C -1.369 173.441 174.700 0.185 0.000 0.995 1138 T CA -0.527 61.676 62.100 0.172 0.000 0.970 1138 T CB 1.267 70.198 68.868 0.105 0.000 0.976 1138 T HN 0.494 nan 8.240 nan 0.000 0.441 1139 L N 3.377 124.703 121.223 0.173 0.000 2.386 1139 L HA 0.740 5.007 4.340 -0.121 0.000 0.271 1139 L C -1.063 175.888 176.870 0.135 0.000 0.993 1139 L CA -0.710 54.211 54.840 0.134 0.000 0.819 1139 L CB 1.854 43.967 42.059 0.090 0.000 1.294 1139 L HN 0.502 nan 8.230 nan 0.000 0.414 1140 L N 3.022 124.346 121.223 0.168 0.000 2.381 1140 L HA 0.674 4.941 4.340 -0.121 0.000 0.274 1140 L C -1.145 175.859 176.870 0.224 0.000 0.988 1140 L CA 0.100 55.051 54.840 0.185 0.000 0.824 1140 L CB 1.700 43.865 42.059 0.177 0.000 1.263 1140 L HN 0.665 nan 8.230 nan 0.000 0.410 1141 Q N 5.963 125.872 119.800 0.182 0.000 2.397 1141 Q HA 0.800 5.067 4.340 -0.121 0.000 0.275 1141 Q C -1.292 174.715 176.000 0.011 0.000 1.090 1141 Q CA -0.822 55.063 55.803 0.136 0.000 0.809 1141 Q CB 3.011 31.892 28.738 0.238 0.000 1.362 1141 Q HN 0.796 nan 8.270 nan 0.000 0.431 1142 M N -0.839 118.594 119.600 -0.280 0.000 2.531 1142 M HA 0.933 5.340 4.480 -0.121 0.000 0.286 1142 M C -0.858 174.747 176.300 -1.158 0.000 1.232 1142 M CA -0.894 53.981 55.300 -0.707 0.000 0.877 1142 M CB 2.412 34.828 32.600 -0.308 0.000 1.726 1142 M HN 0.651 nan 8.290 nan 0.000 0.463 1143 G N 0.449 108.182 108.800 -1.778 0.000 2.682 1143 G HA2 0.886 4.774 3.960 -0.121 0.000 0.290 1143 G HA3 0.886 4.774 3.960 -0.121 0.000 0.290 1143 G C -2.342 172.166 174.900 -0.654 0.000 1.425 1143 G CA -0.494 43.898 45.100 -1.180 0.000 0.807 1143 G HN 1.129 nan 8.290 nan 0.000 0.482 1144 A N 0.150 122.913 122.820 -0.095 0.000 2.488 1144 A HA 0.836 5.083 4.320 -0.121 0.000 0.298 1144 A C -1.265 176.438 177.584 0.198 0.000 1.044 1144 A CA -0.242 51.848 52.037 0.089 0.000 0.693 1144 A CB 2.041 21.071 19.000 0.049 0.000 1.272 1144 A HN 1.220 nan 8.150 nan 0.000 0.402 1145 D N 0.214 120.758 120.400 0.240 0.000 2.664 1145 D HA 0.676 5.243 4.640 -0.121 0.000 0.292 1145 D C -0.644 175.699 176.300 0.072 0.000 1.214 1145 D CA -0.682 53.429 54.000 0.184 0.000 0.932 1145 D CB 0.814 41.834 40.800 0.367 0.000 1.420 1145 D HN 0.455 nan 8.370 nan 0.000 0.471 1146 R N -0.418 120.069 120.500 -0.021 0.000 2.599 1146 R HA 0.456 4.724 4.340 -0.121 0.000 0.295 1146 R C -0.673 175.333 176.300 -0.490 0.000 0.963 1146 R CA -1.084 54.870 56.100 -0.242 0.000 0.883 1146 R CB 2.280 32.425 30.300 -0.258 0.000 1.171 1146 R HN 0.394 nan 8.270 nan 0.000 0.450 1147 K N 3.123 123.159 120.400 -0.606 0.000 2.183 1147 K HA 0.216 4.463 4.320 -0.121 0.000 0.274 1147 K C -0.991 175.106 176.600 -0.839 0.000 1.009 1147 K CA -0.497 55.259 56.287 -0.885 0.000 0.888 1147 K CB 0.712 32.693 32.500 -0.866 0.000 1.078 1147 K HN 0.652 nan 8.250 nan 0.000 0.459 1148 H N 3.208 122.058 119.070 -0.366 0.000 2.505 1148 H HA 0.182 4.663 4.556 -0.124 0.000 0.338 1148 H C -0.742 174.432 175.328 -0.256 0.000 1.057 1148 H CA -0.694 55.211 56.048 -0.237 0.000 1.202 1148 H CB 1.444 31.111 29.762 -0.157 0.000 1.466 1148 H HN 0.564 nan 8.280 nan 0.000 0.499 1149 E N 4.024 124.158 120.200 -0.109 0.000 2.089 1149 E HA 0.264 4.541 4.350 -0.121 0.000 0.284 1149 E C -0.322 176.239 176.600 -0.065 0.000 1.023 1149 E CA -0.359 55.971 56.400 -0.117 0.000 0.819 1149 E CB 1.127 30.757 29.700 -0.116 0.000 1.076 1149 E HN 0.375 nan 8.360 nan 0.000 0.396 1150 L N 3.152 124.332 121.223 -0.071 0.000 2.401 1150 L HA 0.367 4.634 4.340 -0.121 0.000 0.263 1150 L C 0.903 177.756 176.870 -0.028 0.000 1.004 1150 L CA -0.650 54.167 54.840 -0.039 0.000 0.881 1150 L CB 0.900 42.940 42.059 -0.032 0.000 1.219 1150 L HN 0.821 nan 8.230 nan 0.000 0.441 1151 G N 2.660 111.452 108.800 -0.013 0.000 2.611 1151 G HA2 -0.396 3.491 3.960 -0.121 0.000 0.301 1151 G HA3 -0.396 3.491 3.960 -0.121 0.000 0.301 1151 G C 0.739 175.638 174.900 -0.002 0.000 1.233 1151 G CA 0.549 45.653 45.100 0.007 0.000 0.993 1151 G HN 0.801 nan 8.290 nan 0.000 0.553 1152 S N -0.144 115.578 115.700 0.037 0.000 2.754 1152 S HA 0.439 4.836 4.470 -0.121 0.000 0.223 1152 S C 0.796 175.377 174.600 -0.030 0.000 0.951 1152 S CA 1.136 59.360 58.200 0.039 0.000 0.954 1152 S CB -0.143 63.118 63.200 0.103 0.000 0.780 1152 S HN 1.060 nan 8.310 nan 0.000 0.509 1153 M N 1.984 121.487 119.600 -0.161 0.000 2.227 1153 M HA 0.465 4.872 4.480 -0.121 0.000 0.335 1153 M C -1.937 174.157 176.300 -0.342 0.000 1.053 1153 M CA -0.449 54.550 55.300 -0.501 0.000 0.973 1153 M CB 1.352 33.561 32.600 -0.652 0.000 1.623 1153 M HN -0.140 nan 8.290 nan 0.000 0.434 1154 D N 5.149 125.335 120.400 -0.356 0.000 2.313 1154 D HA 0.356 4.923 4.640 -0.121 0.000 0.239 1154 D C -1.110 174.986 176.300 -0.339 0.000 1.142 1154 D CA -0.015 53.793 54.000 -0.321 0.000 0.847 1154 D CB 1.426 42.092 40.800 -0.223 0.000 1.082 1154 D HN 0.503 nan 8.370 nan 0.000 0.480 1155 L N 3.484 124.520 121.223 -0.312 0.000 2.307 1155 L HA 0.496 4.763 4.340 -0.121 0.000 0.284 1155 L C -1.400 175.330 176.870 -0.234 0.000 1.023 1155 L CA -0.464 54.290 54.840 -0.144 0.000 0.810 1155 L CB 0.681 42.764 42.059 0.039 0.000 1.231 1155 L HN 0.137 nan 8.230 nan 0.000 0.423 1156 F N 2.692 122.652 119.950 0.017 0.000 2.426 1156 F HA 0.558 5.017 4.527 -0.113 0.000 0.348 1156 F C 0.308 176.184 175.800 0.127 0.000 1.124 1156 F CA -0.562 57.469 58.000 0.051 0.000 1.008 1156 F CB 1.948 41.003 39.000 0.093 0.000 1.139 1156 F HN 0.506 nan 8.300 nan 0.000 0.452 1157 T N 0.262 114.943 114.554 0.212 0.000 2.807 1157 T HA 0.900 5.178 4.350 -0.121 0.000 0.279 1157 T C -0.203 174.443 174.700 -0.089 0.000 0.993 1157 T CA -0.797 61.367 62.100 0.107 0.000 0.970 1157 T CB 1.675 70.668 68.868 0.209 0.000 0.950 1157 T HN 0.860 nan 8.240 nan 0.000 0.441 1158 G N 0.879 109.384 108.800 -0.492 0.000 2.682 1158 G HA2 0.729 4.617 3.960 -0.121 0.000 0.290 1158 G HA3 0.729 4.617 3.960 -0.121 0.000 0.290 1158 G C -0.978 173.640 174.900 -0.471 0.000 1.425 1158 G CA -0.360 44.348 45.100 -0.653 0.000 0.807 1158 G HN 1.519 nan 8.290 nan 0.000 0.482 1159 V N -2.064 117.744 119.914 -0.176 0.000 3.001 1159 V HA 0.959 5.006 4.120 -0.121 0.000 0.314 1159 V C -0.257 175.844 176.094 0.011 0.000 1.099 1159 V CA -0.998 61.212 62.300 -0.149 0.000 0.989 1159 V CB 1.600 33.335 31.823 -0.146 0.000 1.040 1159 V HN 1.324 nan 8.190 nan 0.000 0.434 1160 M N 2.239 121.791 119.600 -0.080 0.000 2.520 1160 M HA 0.974 5.382 4.480 -0.121 0.000 0.280 1160 M C -0.983 175.235 176.300 -0.136 0.000 1.232 1160 M CA -0.660 54.609 55.300 -0.052 0.000 0.892 1160 M CB 1.969 34.705 32.600 0.226 0.000 1.728 1160 M HN 1.199 nan 8.290 nan 0.000 0.475 1161 A N 1.237 123.958 122.820 -0.165 0.000 2.356 1161 A HA 1.008 5.255 4.320 -0.121 0.000 0.323 1161 A C -0.428 176.999 177.584 -0.261 0.000 1.119 1161 A CA -0.376 51.544 52.037 -0.194 0.000 0.790 1161 A CB 1.586 20.500 19.000 -0.144 0.000 1.273 1161 A HN 1.020 nan 8.150 nan 0.000 0.452 1162 T N -1.373 112.913 114.554 -0.447 0.000 2.903 1162 T HA 0.767 5.044 4.350 -0.121 0.000 0.299 1162 T C -1.216 173.022 174.700 -0.770 0.000 1.093 1162 T CA -0.511 61.351 62.100 -0.397 0.000 1.002 1162 T CB 1.039 69.765 68.868 -0.237 0.000 1.127 1162 T HN 0.538 nan 8.240 nan 0.000 0.488 1163 Y N -0.393 119.930 120.300 0.038 0.000 2.534 1163 Y HA 0.682 5.166 4.550 -0.111 0.000 0.345 1163 Y C 0.067 175.985 175.900 0.030 0.000 1.031 1163 Y CA -0.842 57.295 58.100 0.062 0.000 1.022 1163 Y CB 3.023 41.520 38.460 0.062 0.000 1.292 1163 Y HN 0.889 nan 8.280 nan 0.000 0.459 1164 T N 1.623 116.274 114.554 0.162 0.000 2.952 1164 T HA 0.305 4.583 4.350 -0.121 0.000 0.305 1164 T C -2.020 172.741 174.700 0.102 0.000 1.064 1164 T CA -0.807 61.353 62.100 0.100 0.000 1.008 1164 T CB 1.990 70.865 68.868 0.012 0.000 1.078 1164 T HN 0.498 nan 8.240 nan 0.000 0.459 1165 D N 1.558 122.019 120.400 0.101 0.000 2.593 1165 D HA 0.538 5.105 4.640 -0.121 0.000 0.251 1165 D C -1.065 175.276 176.300 0.068 0.000 1.140 1165 D CA -0.161 53.880 54.000 0.068 0.000 0.855 1165 D CB 1.612 42.447 40.800 0.057 0.000 1.267 1165 D HN 0.407 nan 8.370 nan 0.000 0.532 1166 T N 3.351 117.926 114.554 0.035 0.000 2.886 1166 T HA 0.378 4.655 4.350 -0.121 0.000 0.292 1166 T C -1.051 173.608 174.700 -0.070 0.000 1.012 1166 T CA -0.792 61.335 62.100 0.045 0.000 0.982 1166 T CB 1.500 70.446 68.868 0.131 0.000 1.018 1166 T HN 0.204 nan 8.240 nan 0.000 0.451 1167 D N 1.907 122.152 120.400 -0.258 0.000 2.308 1167 D HA 0.616 5.183 4.640 -0.121 0.000 0.242 1167 D C -0.742 175.462 176.300 -0.160 0.000 1.059 1167 D CA -0.335 53.475 54.000 -0.316 0.000 0.830 1167 D CB 2.162 42.535 40.800 -0.713 0.000 1.161 1167 D HN 0.649 nan 8.370 nan 0.000 0.494 1168 A N 1.527 124.386 122.820 0.066 0.000 2.449 1168 A HA 0.718 4.965 4.320 -0.121 0.000 0.302 1168 A C -0.565 177.126 177.584 0.178 0.000 1.048 1168 A CA -0.594 51.518 52.037 0.124 0.000 0.708 1168 A CB 1.688 20.947 19.000 0.433 0.000 1.274 1168 A HN 0.492 nan 8.150 nan 0.000 0.410 1169 S N 0.058 115.683 115.700 -0.126 0.000 2.579 1169 S HA 0.967 5.364 4.470 -0.121 0.000 0.272 1169 S C -0.433 173.903 174.600 -0.439 0.000 1.141 1169 S CA -0.081 58.023 58.200 -0.160 0.000 0.843 1169 S CB 1.608 64.766 63.200 -0.070 0.000 1.122 1169 S HN 2.464 nan 8.310 nan 0.000 0.468 1170 A N 0.503 122.979 122.820 -0.574 0.000 2.529 1170 A HA 0.732 4.979 4.320 -0.121 0.000 0.296 1170 A C -0.166 177.266 177.584 -0.253 0.000 1.205 1170 A CA -0.570 51.207 52.037 -0.434 0.000 0.671 1170 A CB 0.015 18.680 19.000 -0.557 0.000 1.301 1170 A HN 0.671 nan 8.150 nan 0.000 0.450 1171 D N -0.152 120.181 120.400 -0.113 0.000 2.158 1171 D HA -0.108 4.459 4.640 -0.121 0.000 0.197 1171 D C 1.441 177.765 176.300 0.040 0.000 0.995 1171 D CA 1.565 55.553 54.000 -0.020 0.000 0.846 1171 D CB -0.016 40.790 40.800 0.010 0.000 0.941 1171 D HN 0.411 nan 8.370 nan 0.000 0.456 1172 L N -1.006 120.253 121.223 0.061 0.000 2.607 1172 L HA 0.106 4.373 4.340 -0.121 0.000 0.228 1172 L C -0.270 176.917 176.870 0.528 0.000 1.123 1172 L CA -0.214 54.811 54.840 0.308 0.000 0.890 1172 L CB 0.024 42.258 42.059 0.291 0.000 1.103 1172 L HN 0.073 nan 8.230 nan 0.000 0.468 1173 Y N -3.020 117.459 120.300 0.298 0.000 2.677 1173 Y HA 0.618 5.095 4.550 -0.122 0.000 0.334 1173 Y C -0.948 175.116 175.900 0.273 0.000 1.196 1173 Y CA -1.643 56.644 58.100 0.311 0.000 1.059 1173 Y CB 0.705 39.385 38.460 0.366 0.000 1.315 1173 Y HN -0.115 nan 8.280 nan 0.000 0.455 1174 S N 0.332 116.337 115.700 0.508 0.000 2.533 1174 S HA 0.982 5.379 4.470 -0.121 0.000 0.271 1174 S C -0.628 174.163 174.600 0.317 0.000 1.143 1174 S CA -0.140 58.285 58.200 0.374 0.000 0.891 1174 S CB 1.600 64.885 63.200 0.140 0.000 1.105 1174 S HN 2.110 nan 8.310 nan 0.000 0.468 1175 G N 1.325 110.163 108.800 0.063 0.000 2.428 1175 G HA2 0.592 4.479 3.960 -0.121 0.000 0.305 1175 G HA3 0.592 4.479 3.960 -0.121 0.000 0.305 1175 G C -2.301 172.150 174.900 -0.749 0.000 1.260 1175 G CA -0.908 43.783 45.100 -0.681 0.000 0.853 1175 G HN 0.721 nan 8.290 nan 0.000 0.480 1176 K N -0.305 119.518 120.400 -0.961 0.000 2.469 1176 K HA 0.688 4.936 4.320 -0.121 0.000 0.254 1176 K C -1.505 174.893 176.600 -0.337 0.000 0.939 1176 K CA -0.674 55.350 56.287 -0.439 0.000 0.812 1176 K CB 2.535 34.879 32.500 -0.260 0.000 1.301 1176 K HN 0.444 nan 8.250 nan 0.000 0.433 1177 T N 2.313 116.814 114.554 -0.088 0.000 2.848 1177 T HA 0.351 4.628 4.350 -0.121 0.000 0.285 1177 T C -0.912 173.777 174.700 -0.019 0.000 0.995 1177 T CA -0.785 61.301 62.100 -0.023 0.000 0.970 1177 T CB 1.270 70.175 68.868 0.062 0.000 0.976 1177 T HN 0.286 nan 8.240 nan 0.000 0.441 1178 K N 2.074 122.467 120.400 -0.012 0.000 2.244 1178 K HA 0.755 5.003 4.320 -0.121 0.000 0.260 1178 K C -0.734 175.910 176.600 0.074 0.000 0.951 1178 K CA -0.737 55.577 56.287 0.045 0.000 0.826 1178 K CB 1.854 34.392 32.500 0.064 0.000 1.108 1178 K HN 0.497 nan 8.250 nan 0.000 0.433 1179 S N 2.141 117.897 115.700 0.092 0.000 2.569 1179 S HA 0.613 5.011 4.470 -0.121 0.000 0.280 1179 S C -1.440 173.235 174.600 0.125 0.000 1.111 1179 S CA -1.057 57.160 58.200 0.028 0.000 0.887 1179 S CB 1.420 64.558 63.200 -0.103 0.000 1.095 1179 S HN 0.681 nan 8.310 nan 0.000 0.476 1180 W N 0.442 121.736 121.300 -0.011 0.000 3.083 1180 W HA 0.831 5.420 4.660 -0.118 0.000 0.333 1180 W C -0.503 175.908 176.519 -0.180 0.000 1.217 1180 W CA -1.002 56.265 57.345 -0.130 0.000 1.170 1180 W CB 0.972 30.414 29.460 -0.031 0.000 1.437 1180 W HN 0.993 nan 8.180 nan 0.000 0.557 1181 G N -0.222 108.500 108.800 -0.129 0.000 2.489 1181 G HA2 0.681 4.569 3.960 -0.121 0.000 0.305 1181 G HA3 0.681 4.569 3.960 -0.121 0.000 0.305 1181 G C -1.288 173.577 174.900 -0.058 0.000 1.311 1181 G CA 0.006 44.955 45.100 -0.251 0.000 0.813 1181 G HN 1.332 nan 8.290 nan 0.000 0.480 1182 G N -2.421 106.342 108.800 -0.061 0.000 2.466 1182 G HA2 0.885 4.772 3.960 -0.121 0.000 0.291 1182 G HA3 0.885 4.772 3.960 -0.121 0.000 0.291 1182 G C -0.327 174.510 174.900 -0.105 0.000 1.460 1182 G CA 0.732 45.785 45.100 -0.078 0.000 0.791 1182 G HN 2.149 nan 8.290 nan 0.000 0.505 1183 G N -1.671 106.983 108.800 -0.243 0.000 2.348 1183 G HA2 0.660 4.547 3.960 -0.121 0.000 0.296 1183 G HA3 0.660 4.547 3.960 -0.121 0.000 0.296 1183 G C -2.048 172.513 174.900 -0.564 0.000 1.258 1183 G CA -0.598 44.342 45.100 -0.267 0.000 0.868 1183 G HN 0.870 nan 8.290 nan 0.000 0.488 1184 F N -0.067 119.958 119.950 0.126 0.000 2.599 1184 F HA 0.776 5.229 4.527 -0.123 0.000 0.311 1184 F C -0.375 175.539 175.800 0.189 0.000 1.076 1184 F CA -0.739 57.313 58.000 0.087 0.000 0.937 1184 F CB 2.445 41.467 39.000 0.037 0.000 1.282 1184 F HN 0.712 nan 8.300 nan 0.000 0.460 1185 Y N -0.166 120.326 120.300 0.319 0.000 2.588 1185 Y HA 0.931 5.426 4.550 -0.092 0.000 0.343 1185 Y C -1.432 174.628 175.900 0.267 0.000 1.065 1185 Y CA -2.016 56.233 58.100 0.249 0.000 1.038 1185 Y CB 1.535 40.103 38.460 0.181 0.000 1.297 1185 Y HN 0.770 nan 8.280 nan 0.000 0.467 1186 A N 1.395 124.493 122.820 0.462 0.000 2.381 1186 A HA 0.765 5.012 4.320 -0.121 0.000 0.299 1186 A C -1.433 176.433 177.584 0.470 0.000 1.049 1186 A CA -0.689 51.609 52.037 0.435 0.000 0.715 1186 A CB 1.206 20.442 19.000 0.393 0.000 1.222 1186 A HN 0.699 nan 8.150 nan 0.000 0.428 1187 S N 0.928 116.816 115.700 0.312 0.000 2.519 1187 S HA 0.735 5.132 4.470 -0.121 0.000 0.309 1187 S C 0.077 174.511 174.600 -0.277 0.000 1.100 1187 S CA -0.339 57.870 58.200 0.016 0.000 1.059 1187 S CB 1.775 64.999 63.200 0.041 0.000 1.008 1187 S HN 1.284 nan 8.310 nan 0.000 0.478 1188 G N 2.126 110.264 108.800 -1.104 0.000 2.487 1188 G HA2 0.647 4.534 3.960 -0.121 0.000 0.314 1188 G HA3 0.647 4.534 3.960 -0.121 0.000 0.314 1188 G C -1.330 173.229 174.900 -0.568 0.000 1.267 1188 G CA -0.464 43.989 45.100 -1.078 0.000 0.937 1188 G HN 0.507 nan 8.290 nan 0.000 0.481 1189 L N 2.238 123.228 121.223 -0.389 0.000 2.349 1189 L HA 0.531 4.798 4.340 -0.121 0.000 0.278 1189 L C -0.805 175.897 176.870 -0.281 0.000 0.996 1189 L CA -0.441 54.301 54.840 -0.164 0.000 0.825 1189 L CB 1.539 43.560 42.059 -0.064 0.000 1.243 1189 L HN 0.404 nan 8.230 nan 0.000 0.412 1190 F N 1.451 121.358 119.950 -0.072 0.000 2.422 1190 F HA 0.437 4.888 4.527 -0.126 0.000 0.333 1190 F C 1.476 177.212 175.800 -0.107 0.000 1.095 1190 F CA -0.706 57.248 58.000 -0.076 0.000 1.038 1190 F CB 1.399 40.353 39.000 -0.075 0.000 1.156 1190 F HN 0.422 nan 8.300 nan 0.000 0.483 1191 R N 1.113 121.667 120.500 0.091 0.000 2.117 1191 R HA -0.195 4.073 4.340 -0.121 0.000 0.243 1191 R C 2.196 178.502 176.300 0.010 0.000 1.143 1191 R CA 2.077 58.194 56.100 0.028 0.000 0.968 1191 R CB -0.422 29.898 30.300 0.033 0.000 0.863 1191 R HN 0.781 nan 8.270 nan 0.000 0.444 1192 S N -1.916 113.800 115.700 0.027 0.000 2.420 1192 S HA -0.052 4.345 4.470 -0.121 0.000 0.237 1192 S C 1.642 176.100 174.600 -0.236 0.000 1.023 1192 S CA 1.257 59.433 58.200 -0.040 0.000 0.991 1192 S CB -0.283 62.898 63.200 -0.032 0.000 0.792 1192 S HN 0.672 nan 8.310 nan 0.000 0.488 1193 G N 0.484 109.078 108.800 -0.344 0.000 2.284 1193 G HA2 0.066 3.953 3.960 -0.121 0.000 0.201 1193 G HA3 0.066 3.953 3.960 -0.121 0.000 0.201 1193 G C 0.262 174.689 174.900 -0.788 0.000 0.998 1193 G CA -0.065 44.708 45.100 -0.545 0.000 0.651 1193 G HN 1.270 nan 8.290 nan 0.000 0.489 1194 A N 0.080 122.299 122.820 -1.002 0.000 2.466 1194 A HA 0.696 4.943 4.320 -0.121 0.000 0.238 1194 A C -0.109 177.515 177.584 0.066 0.000 1.074 1194 A CA 1.041 52.719 52.037 -0.599 0.000 0.774 1194 A CB 0.035 18.743 19.000 -0.487 0.000 1.015 1194 A HN 1.967 nan 8.150 nan 0.000 0.498 1195 Y N -1.201 119.136 120.300 0.062 0.000 2.609 1195 Y HA 0.710 5.178 4.550 -0.137 0.000 0.336 1195 Y C -1.106 174.936 175.900 0.237 0.000 1.129 1195 Y CA -1.975 56.203 58.100 0.131 0.000 1.040 1195 Y CB 0.983 39.426 38.460 -0.029 0.000 1.310 1195 Y HN 0.974 nan 8.280 nan 0.000 0.460 1196 F N 0.161 120.305 119.950 0.323 0.000 2.613 1196 F HA 0.825 5.270 4.527 -0.137 0.000 0.314 1196 F C -1.857 174.133 175.800 0.317 0.000 1.075 1196 F CA -1.193 56.938 58.000 0.219 0.000 0.945 1196 F CB 2.183 41.297 39.000 0.191 0.000 1.310 1196 F HN 0.573 nan 8.300 nan 0.000 0.467 1197 D N 1.705 122.420 120.400 0.525 0.000 2.936 1197 D HA 0.582 5.149 4.640 -0.121 0.000 0.238 1197 D C -1.666 174.879 176.300 0.408 0.000 1.248 1197 D CA -0.428 53.806 54.000 0.389 0.000 0.903 1197 D CB 2.302 43.236 40.800 0.222 0.000 1.544 1197 D HN 0.809 nan 8.370 nan 0.000 0.543 1198 V N 1.110 121.279 119.914 0.425 0.000 2.656 1198 V HA 0.890 4.938 4.120 -0.121 0.000 0.307 1198 V C -0.347 175.918 176.094 0.284 0.000 1.051 1198 V CA -0.905 61.579 62.300 0.306 0.000 0.893 1198 V CB 1.217 33.202 31.823 0.270 0.000 0.999 1198 V HN 0.561 nan 8.190 nan 0.000 0.426 1199 I N 1.054 121.753 120.570 0.215 0.000 2.802 1199 I HA 1.047 5.144 4.170 -0.121 0.000 0.298 1199 I C -0.289 175.938 176.117 0.182 0.000 1.176 1199 I CA -1.132 60.308 61.300 0.234 0.000 1.025 1199 I CB 2.048 40.163 38.000 0.191 0.000 1.243 1199 I HN 1.023 nan 8.210 nan 0.000 0.424 1200 A N 4.716 127.659 122.820 0.205 0.000 2.359 1200 A HA 0.918 5.166 4.320 -0.121 0.000 0.303 1200 A C -0.714 176.972 177.584 0.168 0.000 1.066 1200 A CA -0.640 51.502 52.037 0.175 0.000 0.730 1200 A CB 1.120 20.230 19.000 0.184 0.000 1.211 1200 A HN 0.849 nan 8.150 nan 0.000 0.439 1201 K N 0.844 121.316 120.400 0.120 0.000 2.509 1201 K HA 0.671 4.918 4.320 -0.121 0.000 0.266 1201 K C -1.754 174.899 176.600 0.089 0.000 0.987 1201 K CA -0.819 55.490 56.287 0.037 0.000 0.868 1201 K CB 1.718 34.119 32.500 -0.165 0.000 1.421 1201 K HN 0.500 nan 8.250 nan 0.000 0.444 1202 Y N 1.280 121.528 120.300 -0.086 0.000 2.393 1202 Y HA 0.605 5.081 4.550 -0.124 0.000 0.341 1202 Y C -1.391 174.371 175.900 -0.230 0.000 0.988 1202 Y CA -1.283 56.748 58.100 -0.114 0.000 1.078 1202 Y CB 1.216 39.630 38.460 -0.078 0.000 1.203 1202 Y HN 0.593 nan 8.280 nan 0.000 0.453 1203 I N 6.166 126.171 120.570 -0.942 0.000 2.533 1203 I HA 0.268 4.365 4.170 -0.121 0.000 0.290 1203 I C -1.114 174.368 176.117 -1.058 0.000 1.056 1203 I CA -0.723 60.058 61.300 -0.864 0.000 1.057 1203 I CB 1.821 39.525 38.000 -0.493 0.000 1.240 1203 I HN 0.599 nan 8.210 nan 0.000 0.423 1204 H N 5.947 124.292 119.070 -1.209 0.000 2.481 1204 H HA 0.543 5.024 4.556 -0.124 0.000 0.333 1204 H C -1.477 173.538 175.328 -0.521 0.000 1.066 1204 H CA -0.681 54.846 56.048 -0.869 0.000 1.209 1204 H CB 1.543 30.655 29.762 -1.083 0.000 1.445 1204 H HN 0.679 nan 8.280 nan 0.000 0.488 1205 N N 3.202 121.513 118.700 -0.648 0.000 2.284 1205 N HA 0.164 4.832 4.740 -0.121 0.000 0.300 1205 N C -1.195 174.092 175.510 -0.371 0.000 1.047 1205 N CA -0.770 52.059 53.050 -0.368 0.000 0.821 1205 N CB 2.434 40.749 38.487 -0.288 0.000 1.337 1205 N HN 0.534 nan 8.380 nan 0.000 0.482 1206 E N 1.613 121.719 120.200 -0.157 0.000 2.114 1206 E HA 0.259 4.536 4.350 -0.121 0.000 0.266 1206 E C -1.280 175.197 176.600 -0.205 0.000 0.896 1206 E CA -0.693 55.633 56.400 -0.122 0.000 0.750 1206 E CB 0.420 30.150 29.700 0.050 0.000 1.121 1206 E HN 0.433 nan 8.360 nan 0.000 0.413 1207 N N 4.407 122.863 118.700 -0.407 0.000 2.392 1207 N HA 0.307 4.975 4.740 -0.121 0.000 0.283 1207 N C -1.124 174.217 175.510 -0.282 0.000 1.003 1207 N CA -0.561 52.217 53.050 -0.454 0.000 0.892 1207 N CB 1.659 39.331 38.487 -1.358 0.000 1.193 1207 N HN 0.350 nan 8.380 nan 0.000 0.487 1208 K N 2.640 122.930 120.400 -0.184 0.000 2.559 1208 K HA 0.374 4.621 4.320 -0.121 0.000 0.249 1208 K C -1.331 175.117 176.600 -0.253 0.000 0.958 1208 K CA -0.418 55.801 56.287 -0.112 0.000 0.901 1208 K CB 1.280 33.703 32.500 -0.129 0.000 1.124 1208 K HN 0.462 nan 8.250 nan 0.000 0.437 1209 Y N 0.490 120.844 120.300 0.090 0.000 2.512 1209 Y HA 0.224 4.700 4.550 -0.123 0.000 0.348 1209 Y C -0.144 175.843 175.900 0.145 0.000 0.990 1209 Y CA -0.928 57.260 58.100 0.148 0.000 1.033 1209 Y CB 1.845 40.440 38.460 0.224 0.000 1.259 1209 Y HN 0.454 nan 8.280 nan 0.000 0.461 1210 D N 3.450 124.005 120.400 0.259 0.000 2.225 1210 D HA 0.317 4.884 4.640 -0.121 0.000 0.248 1210 D C -0.699 175.740 176.300 0.232 0.000 1.096 1210 D CA -0.110 54.000 54.000 0.184 0.000 0.863 1210 D CB 1.558 42.430 40.800 0.120 0.000 1.156 1210 D HN 0.365 nan 8.370 nan 0.000 0.450 1211 L N 2.692 123.961 121.223 0.077 0.000 2.264 1211 L HA 0.242 4.509 4.340 -0.121 0.000 0.289 1211 L C 0.528 177.285 176.870 -0.188 0.000 1.044 1211 L CA -0.678 54.103 54.840 -0.097 0.000 0.807 1211 L CB 0.634 42.364 42.059 -0.550 0.000 1.192 1211 L HN 0.073 nan 8.230 nan 0.000 0.425 1212 N N 5.712 124.473 118.700 0.102 0.000 3.250 1212 N HA 0.314 4.981 4.740 -0.121 0.000 0.307 1212 N C -0.919 174.752 175.510 0.267 0.000 1.355 1212 N CA 0.100 53.243 53.050 0.154 0.000 1.192 1212 N CB -0.181 38.429 38.487 0.206 0.000 1.478 1212 N HN 0.499 nan 8.380 nan 0.000 0.543 1213 F N -4.324 115.680 119.950 0.090 0.000 2.740 1213 F HA 0.485 4.939 4.527 -0.122 0.000 0.312 1213 F C 0.135 175.969 175.800 0.056 0.000 1.121 1213 F CA -1.529 56.512 58.000 0.069 0.000 0.977 1213 F CB 0.471 39.515 39.000 0.072 0.000 1.265 1213 F HN -0.052 nan 8.300 nan 0.000 0.443 1214 A N 1.125 124.071 122.820 0.209 0.000 2.799 1214 A HA 0.216 4.464 4.320 -0.121 0.000 0.287 1214 A C 1.961 179.550 177.584 0.008 0.000 1.484 1214 A CA 1.644 53.751 52.037 0.116 0.000 0.813 1214 A CB -2.347 16.773 19.000 0.200 0.000 1.009 1214 A HN 3.104 nan 8.150 nan 0.000 0.545 1215 G N -2.545 106.246 108.800 -0.015 0.000 2.337 1215 G HA2 0.014 3.902 3.960 -0.121 0.000 0.290 1215 G HA3 0.014 3.902 3.960 -0.121 0.000 0.290 1215 G C 1.397 176.261 174.900 -0.061 0.000 1.003 1215 G CA 1.462 46.545 45.100 -0.028 0.000 0.825 1215 G HN 2.398 nan 8.290 nan 0.000 0.509 1216 A N -0.622 122.111 122.820 -0.144 0.000 1.969 1216 A HA 0.445 4.692 4.320 -0.121 0.000 0.218 1216 A C 2.762 180.287 177.584 -0.098 0.000 1.169 1216 A CA 1.924 53.864 52.037 -0.162 0.000 0.635 1216 A CB -0.633 18.152 19.000 -0.357 0.000 0.810 1216 A HN 2.605 nan 8.150 nan 0.000 0.445 1217 G N -0.278 108.465 108.800 -0.094 0.000 2.578 1217 G HA2 -0.304 3.584 3.960 -0.121 0.000 0.284 1217 G HA3 -0.304 3.584 3.960 -0.121 0.000 0.284 1217 G C -0.142 174.767 174.900 0.015 0.000 1.283 1217 G CA 0.142 45.226 45.100 -0.027 0.000 0.944 1217 G HN 0.556 nan 8.290 nan 0.000 0.558 1218 K N 1.669 122.095 120.400 0.044 0.000 2.436 1218 K HA 0.137 4.384 4.320 -0.121 0.000 0.282 1218 K C 0.075 176.744 176.600 0.115 0.000 1.044 1218 K CA 0.540 56.874 56.287 0.079 0.000 1.028 1218 K CB 0.529 33.063 32.500 0.056 0.000 0.919 1218 K HN 0.465 nan 8.250 nan 0.000 0.474 1219 Q N 2.702 122.614 119.800 0.186 0.000 2.310 1219 Q HA 0.280 4.548 4.340 -0.121 0.000 0.270 1219 Q C -0.561 175.625 176.000 0.310 0.000 1.025 1219 Q CA -0.475 55.484 55.803 0.261 0.000 0.772 1219 Q CB 1.974 30.926 28.738 0.357 0.000 1.253 1219 Q HN 0.436 nan 8.270 nan 0.000 0.450 1220 N N 3.325 122.175 118.700 0.249 0.000 2.425 1220 N HA 0.544 5.212 4.740 -0.121 0.000 0.268 1220 N C -0.934 174.739 175.510 0.271 0.000 0.991 1220 N CA -0.023 53.137 53.050 0.184 0.000 0.931 1220 N CB 0.968 39.517 38.487 0.103 0.000 1.130 1220 N HN 0.379 nan 8.380 nan 0.000 0.493 1221 F N -0.461 119.443 119.950 -0.076 0.000 2.645 1221 F HA 0.598 5.053 4.527 -0.120 0.000 0.310 1221 F C -0.651 175.084 175.800 -0.109 0.000 1.102 1221 F CA -1.272 56.666 58.000 -0.103 0.000 0.952 1221 F CB 1.183 40.020 39.000 -0.271 0.000 1.326 1221 F HN 0.059 nan 8.300 nan 0.000 0.456 1222 R N 1.091 121.579 120.500 -0.020 0.000 2.664 1222 R HA 0.832 5.099 4.340 -0.121 0.000 0.286 1222 R C -1.086 175.124 176.300 -0.151 0.000 0.967 1222 R CA -0.872 55.123 56.100 -0.175 0.000 0.933 1222 R CB 2.323 32.569 30.300 -0.090 0.000 1.146 1222 R HN 1.014 nan 8.270 nan 0.000 0.468 1223 S N 0.564 116.093 115.700 -0.284 0.000 2.618 1223 S HA 0.610 5.008 4.470 -0.121 0.000 0.277 1223 S C -1.041 173.441 174.600 -0.196 0.000 1.138 1223 S CA -1.071 57.044 58.200 -0.142 0.000 0.844 1223 S CB 1.935 65.118 63.200 -0.028 0.000 1.127 1223 S HN 0.924 nan 8.310 nan 0.000 0.474 1224 H N -1.638 117.332 119.070 -0.168 0.000 3.014 1224 H HA 0.828 5.312 4.556 -0.119 0.000 0.337 1224 H C -1.248 174.033 175.328 -0.078 0.000 1.320 1224 H CA -0.950 54.962 56.048 -0.226 0.000 1.128 1224 H CB 1.416 31.101 29.762 -0.129 0.000 1.862 1224 H HN 1.036 nan 8.280 nan 0.000 0.536 1225 S N 1.555 117.162 115.700 -0.155 0.000 2.550 1225 S HA 0.501 4.899 4.470 -0.121 0.000 0.270 1225 S C -1.598 173.012 174.600 0.017 0.000 1.145 1225 S CA -1.075 57.111 58.200 -0.022 0.000 0.852 1225 S CB 1.799 65.114 63.200 0.192 0.000 1.119 1225 S HN 0.629 nan 8.310 nan 0.000 0.465 1226 L N 2.404 123.696 121.223 0.114 0.000 2.325 1226 L HA 0.642 4.909 4.340 -0.121 0.000 0.278 1226 L C -1.155 175.861 176.870 0.244 0.000 1.023 1226 L CA -0.860 54.078 54.840 0.164 0.000 0.811 1226 L CB 1.636 43.762 42.059 0.111 0.000 1.249 1226 L HN 0.895 nan 8.230 nan 0.000 0.431 1227 Y N 2.428 122.742 120.300 0.024 0.000 2.433 1227 Y HA 0.709 5.192 4.550 -0.111 0.000 0.337 1227 Y C -1.030 174.740 175.900 -0.217 0.000 1.026 1227 Y CA -0.681 57.409 58.100 -0.017 0.000 1.037 1227 Y CB 1.758 40.141 38.460 -0.129 0.000 1.245 1227 Y HN 0.602 nan 8.280 nan 0.000 0.443 1228 A N 3.721 126.205 122.820 -0.560 0.000 2.414 1228 A HA 0.911 5.158 4.320 -0.121 0.000 0.306 1228 A C -0.875 176.041 177.584 -1.113 0.000 1.054 1228 A CA -0.309 51.264 52.037 -0.773 0.000 0.724 1228 A CB 1.439 19.688 19.000 -1.252 0.000 1.267 1228 A HN 1.194 nan 8.150 nan 0.000 0.418 1229 G N -0.312 108.156 108.800 -0.553 0.000 2.682 1229 G HA2 0.778 4.665 3.960 -0.121 0.000 0.300 1229 G HA3 0.778 4.665 3.960 -0.121 0.000 0.300 1229 G C -0.909 173.981 174.900 -0.015 0.000 1.391 1229 G CA 0.168 45.092 45.100 -0.294 0.000 0.990 1229 G HN 1.720 nan 8.290 nan 0.000 0.501 1230 A N 1.324 124.239 122.820 0.158 0.000 2.359 1230 A HA 0.841 5.088 4.320 -0.121 0.000 0.303 1230 A C -0.625 177.084 177.584 0.208 0.000 1.066 1230 A CA -0.620 51.560 52.037 0.238 0.000 0.730 1230 A CB 1.846 21.043 19.000 0.328 0.000 1.211 1230 A HN 0.765 nan 8.150 nan 0.000 0.439 1231 E N 1.499 121.826 120.200 0.211 0.000 2.288 1231 E HA 0.713 4.990 4.350 -0.121 0.000 0.268 1231 E C -1.230 175.448 176.600 0.130 0.000 0.885 1231 E CA -0.714 55.791 56.400 0.174 0.000 0.767 1231 E CB 2.213 32.037 29.700 0.207 0.000 1.220 1231 E HN 0.935 nan 8.360 nan 0.000 0.427 1232 V N -0.206 119.705 119.914 -0.005 0.000 3.078 1232 V HA 1.025 5.072 4.120 -0.121 0.000 0.311 1232 V C -0.162 175.676 176.094 -0.427 0.000 1.138 1232 V CA 0.009 62.188 62.300 -0.202 0.000 1.007 1232 V CB 1.404 33.209 31.823 -0.032 0.000 1.045 1232 V HN 0.861 nan 8.190 nan 0.000 0.432 1233 G N 0.378 108.691 108.800 -0.812 0.000 2.548 1233 G HA2 0.628 4.515 3.960 -0.121 0.000 0.301 1233 G HA3 0.628 4.515 3.960 -0.121 0.000 0.301 1233 G C -2.492 172.298 174.900 -0.184 0.000 1.349 1233 G CA -0.589 44.242 45.100 -0.448 0.000 0.792 1233 G HN 1.397 nan 8.290 nan 0.000 0.481 1234 Y N -0.015 120.287 120.300 0.003 0.000 2.348 1234 Y HA 0.577 5.054 4.550 -0.121 0.000 0.321 1234 Y C -0.169 175.670 175.900 -0.101 0.000 1.163 1234 Y CA -0.868 57.186 58.100 -0.077 0.000 1.070 1234 Y CB 1.845 40.228 38.460 -0.128 0.000 1.250 1234 Y HN 0.657 nan 8.280 nan 0.000 0.425 1235 R N 4.960 125.394 120.500 -0.110 0.000 2.221 1235 R HA 0.369 4.637 4.340 -0.121 0.000 0.327 1235 R C -1.931 174.262 176.300 -0.178 0.000 1.033 1235 R CA -0.248 55.782 56.100 -0.117 0.000 0.887 1235 R CB 0.488 30.588 30.300 -0.333 0.000 1.057 1235 R HN 0.655 nan 8.270 nan 0.000 0.455 1236 Y N 3.306 123.715 120.300 0.183 0.000 2.356 1236 Y HA 0.219 4.696 4.550 -0.121 0.000 0.334 1236 Y C -0.204 175.761 175.900 0.109 0.000 0.958 1236 Y CA -0.794 57.417 58.100 0.185 0.000 1.196 1236 Y CB 1.140 39.698 38.460 0.162 0.000 1.137 1236 Y HN 0.614 nan 8.280 nan 0.000 0.485 1237 H N 3.186 122.418 119.070 0.270 0.000 2.929 1237 H HA 0.101 4.584 4.556 -0.121 0.000 0.317 1237 H C 0.663 176.111 175.328 0.201 0.000 1.031 1237 H CA 0.424 56.612 56.048 0.234 0.000 1.466 1237 H CB 0.930 30.776 29.762 0.141 0.000 1.482 1237 H HN 0.749 nan 8.280 nan 0.000 0.561 1238 L N 1.828 123.194 121.223 0.237 0.000 2.221 1238 L HA 0.094 4.361 4.340 -0.121 0.000 0.202 1238 L C 1.006 177.955 176.870 0.131 0.000 1.074 1238 L CA 0.700 55.630 54.840 0.151 0.000 0.795 1238 L CB 0.086 42.198 42.059 0.088 0.000 0.960 1238 L HN 0.680 nan 8.230 nan 0.000 0.458 1239 T N -6.165 108.477 114.554 0.147 0.000 2.716 1239 T HA 0.236 4.514 4.350 -0.121 0.000 0.286 1239 T C 0.308 175.089 174.700 0.133 0.000 1.052 1239 T CA -0.677 61.486 62.100 0.105 0.000 1.024 1239 T CB 1.382 70.284 68.868 0.056 0.000 1.349 1239 T HN -0.200 nan 8.240 nan 0.000 0.525 1240 D N 1.304 121.740 120.400 0.061 0.000 2.158 1240 D HA -0.070 4.497 4.640 -0.121 0.000 0.197 1240 D C 1.911 178.250 176.300 0.066 0.000 0.995 1240 D CA 2.368 56.380 54.000 0.020 0.000 0.846 1240 D CB -0.315 40.478 40.800 -0.012 0.000 0.941 1240 D HN 0.850 nan 8.370 nan 0.000 0.456 1241 T N -3.157 111.439 114.554 0.070 0.000 3.084 1241 T HA 0.194 4.471 4.350 -0.121 0.000 0.270 1241 T C 0.500 175.228 174.700 0.047 0.000 1.008 1241 T CA -0.253 61.872 62.100 0.040 0.000 0.900 1241 T CB 0.204 69.020 68.868 -0.086 0.000 1.084 1241 T HN 0.079 nan 8.240 nan 0.000 0.538 1242 T N 0.393 115.016 114.554 0.115 0.000 2.900 1242 T HA 0.778 5.055 4.350 -0.121 0.000 0.295 1242 T C -0.974 173.782 174.700 0.092 0.000 1.044 1242 T CA -0.953 61.142 62.100 -0.008 0.000 0.995 1242 T CB 2.065 70.888 68.868 -0.075 0.000 1.072 1242 T HN 0.437 nan 8.240 nan 0.000 0.473 1243 F N -0.318 119.582 119.950 -0.083 0.000 2.686 1243 F HA 0.872 5.325 4.527 -0.123 0.000 0.311 1243 F C -1.745 174.029 175.800 -0.044 0.000 1.128 1243 F CA -1.532 56.380 58.000 -0.146 0.000 0.946 1243 F CB 1.166 39.894 39.000 -0.453 0.000 1.336 1243 F HN 0.648 nan 8.300 nan 0.000 0.457 1244 V N 0.642 120.734 119.914 0.296 0.000 2.735 1244 V HA 0.626 4.673 4.120 -0.121 0.000 0.310 1244 V C -1.495 174.863 176.094 0.441 0.000 1.061 1244 V CA -0.302 62.148 62.300 0.250 0.000 0.913 1244 V CB 1.932 33.837 31.823 0.138 0.000 1.005 1244 V HN 0.979 nan 8.190 nan 0.000 0.428 1245 E N 7.383 127.819 120.200 0.393 0.000 2.580 1245 E HA 0.466 4.743 4.350 -0.121 0.000 0.248 1245 E C -2.805 173.985 176.600 0.316 0.000 1.018 1245 E CA -1.981 54.651 56.400 0.388 0.000 0.775 1245 E CB 2.021 31.951 29.700 0.385 0.000 1.378 1245 E HN 0.580 nan 8.360 nan 0.000 0.401 1246 P HA 0.012 nan 4.420 nan 0.000 0.269 1246 P C -0.944 176.501 177.300 0.241 0.000 1.215 1246 P CA 0.051 63.290 63.100 0.231 0.000 0.780 1246 P CB 0.974 32.791 31.700 0.194 0.000 0.898 1247 Q N -0.079 119.848 119.800 0.212 0.000 2.418 1247 Q HA 0.762 5.029 4.340 -0.121 0.000 0.282 1247 Q C -1.464 174.641 176.000 0.174 0.000 1.044 1247 Q CA -0.939 54.987 55.803 0.203 0.000 0.813 1247 Q CB 2.643 31.565 28.738 0.306 0.000 1.428 1247 Q HN 0.559 nan 8.270 nan 0.000 0.402 1248 A N 1.371 124.269 122.820 0.130 0.000 2.520 1248 A HA 0.734 4.982 4.320 -0.121 0.000 0.298 1248 A C -1.634 176.017 177.584 0.112 0.000 1.051 1248 A CA -0.454 51.659 52.037 0.126 0.000 0.690 1248 A CB 2.067 21.133 19.000 0.109 0.000 1.281 1248 A HN 0.689 nan 8.150 nan 0.000 0.402 1249 E N 1.148 121.412 120.200 0.106 0.000 2.321 1249 E HA 0.610 4.887 4.350 -0.121 0.000 0.278 1249 E C -2.314 174.336 176.600 0.084 0.000 0.902 1249 E CA -0.583 55.875 56.400 0.097 0.000 0.758 1249 E CB 1.946 31.687 29.700 0.069 0.000 1.213 1249 E HN 0.589 nan 8.360 nan 0.000 0.426 1250 L N 4.124 125.435 121.223 0.147 0.000 2.408 1250 L HA 0.579 4.847 4.340 -0.121 0.000 0.268 1250 L C -1.742 175.283 176.870 0.259 0.000 0.986 1250 L CA -0.731 54.217 54.840 0.180 0.000 0.820 1250 L CB 2.071 44.267 42.059 0.228 0.000 1.303 1250 L HN 0.414 nan 8.230 nan 0.000 0.411 1251 V N 3.933 123.938 119.914 0.152 0.000 2.588 1251 V HA 0.561 4.609 4.120 -0.121 0.000 0.304 1251 V C -1.152 175.043 176.094 0.168 0.000 1.042 1251 V CA -0.407 61.859 62.300 -0.057 0.000 0.877 1251 V CB 1.569 33.208 31.823 -0.307 0.000 0.996 1251 V HN 0.856 nan 8.190 nan 0.000 0.425 1252 W N 2.972 124.184 121.300 -0.146 0.000 2.781 1252 W HA 0.950 5.566 4.660 -0.074 0.000 0.345 1252 W C -0.031 176.452 176.519 -0.060 0.000 1.085 1252 W CA -0.861 56.432 57.345 -0.086 0.000 1.198 1252 W CB 1.793 31.223 29.460 -0.050 0.000 1.423 1252 W HN 0.803 nan 8.180 nan 0.000 0.532 1253 G N 1.200 109.993 108.800 -0.012 0.000 2.642 1253 G HA2 0.668 4.555 3.960 -0.121 0.000 0.293 1253 G HA3 0.668 4.555 3.960 -0.121 0.000 0.293 1253 G C -2.087 172.754 174.900 -0.100 0.000 1.341 1253 G CA -1.602 43.402 45.100 -0.161 0.000 0.916 1253 G HN 0.720 nan 8.290 nan 0.000 0.474 1254 R N 0.393 120.870 120.500 -0.039 0.000 2.451 1254 R HA 0.572 4.840 4.340 -0.121 0.000 0.307 1254 R C -1.747 174.537 176.300 -0.028 0.000 0.965 1254 R CA -0.696 55.388 56.100 -0.027 0.000 0.865 1254 R CB 1.440 31.755 30.300 0.025 0.000 1.174 1254 R HN 0.406 nan 8.270 nan 0.000 0.455 1255 L N 3.815 125.009 121.223 -0.048 0.000 2.333 1255 L HA 0.479 4.746 4.340 -0.121 0.000 0.280 1255 L C -1.282 175.626 176.870 0.063 0.000 1.004 1255 L CA -0.066 54.779 54.840 0.008 0.000 0.820 1255 L CB 1.697 43.728 42.059 -0.047 0.000 1.247 1255 L HN 0.775 nan 8.230 nan 0.000 0.416 1256 Q N 3.345 123.235 119.800 0.149 0.000 2.331 1256 Q HA 0.799 5.066 4.340 -0.121 0.000 0.272 1256 Q C -1.253 174.879 176.000 0.220 0.000 1.062 1256 Q CA -0.599 55.317 55.803 0.190 0.000 0.806 1256 Q CB 2.179 31.059 28.738 0.236 0.000 1.312 1256 Q HN 0.901 nan 8.270 nan 0.000 0.431 1257 G N 1.901 110.792 108.800 0.151 0.000 2.766 1257 G HA2 0.339 4.226 3.960 -0.121 0.000 0.288 1257 G HA3 0.339 4.226 3.960 -0.121 0.000 0.288 1257 G C -1.091 173.896 174.900 0.145 0.000 1.408 1257 G CA -0.606 44.578 45.100 0.140 0.000 0.852 1257 G HN 0.633 nan 8.290 nan 0.000 0.487 1275 S N 0.028 115.744 115.700 0.028 0.000 2.454 1275 S HA 0.808 5.205 4.470 -0.121 0.000 0.306 1275 S C -1.431 173.167 174.600 -0.003 0.000 1.100 1275 S CA -0.378 57.837 58.200 0.026 0.000 1.087 1275 S CB 0.548 63.768 63.200 0.033 0.000 1.019 1275 S HN 0.427 nan 8.310 nan 0.000 0.480 1276 V N 4.455 124.359 119.914 -0.017 0.000 3.078 1276 V HA 0.616 4.663 4.120 -0.121 0.000 0.311 1276 V C -1.593 174.458 176.094 -0.071 0.000 1.138 1276 V CA -0.882 61.389 62.300 -0.048 0.000 1.007 1276 V CB 2.494 34.276 31.823 -0.068 0.000 1.045 1276 V HN 0.929 nan 8.190 nan 0.000 0.432 1277 N N 4.871 123.526 118.700 -0.075 0.000 2.696 1277 N HA 0.417 5.084 4.740 -0.121 0.000 0.246 1277 N C -2.903 172.547 175.510 -0.100 0.000 1.057 1277 N CA -1.169 51.833 53.050 -0.079 0.000 0.867 1277 N CB 1.615 40.093 38.487 -0.015 0.000 1.141 1277 N HN 0.414 nan 8.380 nan 0.000 0.517 1278 P HA 0.216 nan 4.420 nan 0.000 0.272 1278 P C -0.390 176.894 177.300 -0.027 0.000 1.240 1278 P CA -0.499 62.521 63.100 -0.133 0.000 0.791 1278 P CB 1.108 32.595 31.700 -0.354 0.000 0.978 1279 L N 1.167 122.445 121.223 0.092 0.000 2.505 1279 L HA 0.470 4.737 4.340 -0.121 0.000 0.266 1279 L C -1.539 175.394 176.870 0.104 0.000 0.954 1279 L CA -0.559 54.364 54.840 0.139 0.000 0.852 1279 L CB 2.112 44.276 42.059 0.175 0.000 1.282 1279 L HN 0.039 nan 8.230 nan 0.000 0.403 1280 V N 3.644 123.548 119.914 -0.017 0.000 2.638 1280 V HA 0.952 4.999 4.120 -0.121 0.000 0.306 1280 V C 0.211 176.032 176.094 -0.454 0.000 1.052 1280 V CA -0.145 62.007 62.300 -0.247 0.000 0.885 1280 V CB 1.664 33.413 31.823 -0.123 0.000 0.999 1280 V HN 0.905 nan 8.190 nan 0.000 0.424 1281 G N 3.096 111.243 108.800 -1.088 0.000 2.563 1281 G HA2 0.798 4.686 3.960 -0.121 0.000 0.302 1281 G HA3 0.798 4.686 3.960 -0.121 0.000 0.302 1281 G C -1.371 173.216 174.900 -0.522 0.000 1.301 1281 G CA -0.837 43.807 45.100 -0.759 0.000 0.965 1281 G HN 0.707 nan 8.290 nan 0.000 0.480 1282 R N -0.140 120.279 120.500 -0.136 0.000 2.604 1282 R HA 0.679 4.946 4.340 -0.121 0.000 0.281 1282 R C -1.150 175.232 176.300 0.138 0.000 1.020 1282 R CA -0.534 55.560 56.100 -0.011 0.000 0.899 1282 R CB 2.072 32.346 30.300 -0.043 0.000 1.205 1282 R HN 0.747 nan 8.270 nan 0.000 0.450 1283 T N 0.218 114.912 114.554 0.233 0.000 2.886 1283 T HA 0.856 5.133 4.350 -0.121 0.000 0.292 1283 T C -0.165 174.694 174.700 0.265 0.000 1.012 1283 T CA -0.475 61.771 62.100 0.243 0.000 0.982 1283 T CB 2.047 71.055 68.868 0.234 0.000 1.018 1283 T HN 0.775 nan 8.240 nan 0.000 0.451 1284 G N 0.532 109.475 108.800 0.238 0.000 2.488 1284 G HA2 0.601 4.488 3.960 -0.121 0.000 0.301 1284 G HA3 0.601 4.488 3.960 -0.121 0.000 0.301 1284 G C -1.998 172.901 174.900 -0.001 0.000 1.339 1284 G CA -0.645 44.506 45.100 0.084 0.000 0.803 1284 G HN 1.044 nan 8.290 nan 0.000 0.482 1285 V N -0.369 119.409 119.914 -0.227 0.000 2.733 1285 V HA 0.637 4.684 4.120 -0.121 0.000 0.306 1285 V C -0.498 175.541 176.094 -0.092 0.000 1.084 1285 V CA -0.705 61.560 62.300 -0.057 0.000 0.905 1285 V CB 1.679 33.490 31.823 -0.020 0.000 1.010 1285 V HN 0.705 nan 8.190 nan 0.000 0.424 1286 V N 2.644 122.606 119.914 0.081 0.000 2.513 1286 V HA 0.571 4.619 4.120 -0.121 0.000 0.299 1286 V C 0.224 176.354 176.094 0.060 0.000 1.035 1286 V CA -0.258 62.100 62.300 0.096 0.000 0.889 1286 V CB 2.133 34.082 31.823 0.210 0.000 0.988 1286 V HN 0.910 nan 8.190 nan 0.000 0.440 1287 S N 2.030 117.690 115.700 -0.067 0.000 2.565 1287 S HA 0.851 5.248 4.470 -0.121 0.000 0.290 1287 S C 0.201 174.503 174.600 -0.498 0.000 1.150 1287 S CA -0.339 57.709 58.200 -0.254 0.000 1.058 1287 S CB 1.719 64.819 63.200 -0.166 0.000 1.032 1287 S HN 1.127 nan 8.310 nan 0.000 0.510 1288 G N 1.190 109.351 108.800 -1.065 0.000 2.667 1288 G HA2 0.602 4.490 3.960 -0.121 0.000 0.298 1288 G HA3 0.602 4.490 3.960 -0.121 0.000 0.298 1288 G C -1.733 172.716 174.900 -0.752 0.000 1.377 1288 G CA -0.665 43.765 45.100 -1.117 0.000 0.964 1288 G HN 0.436 nan 8.290 nan 0.000 0.493 1289 K N 0.549 120.721 120.400 -0.381 0.000 2.463 1289 K HA 0.662 4.909 4.320 -0.121 0.000 0.255 1289 K C -0.691 175.696 176.600 -0.355 0.000 0.942 1289 K CA -0.435 55.644 56.287 -0.346 0.000 0.814 1289 K CB 1.514 33.825 32.500 -0.315 0.000 1.122 1289 K HN 0.349 nan 8.250 nan 0.000 0.425 1290 T N 5.184 119.554 114.554 -0.307 0.000 2.758 1290 T HA 0.508 4.785 4.350 -0.121 0.000 0.285 1290 T C -0.671 173.783 174.700 -0.411 0.000 0.981 1290 T CA -0.247 61.740 62.100 -0.190 0.000 0.965 1290 T CB -0.056 68.820 68.868 0.013 0.000 0.927 1290 T HN 0.311 nan 8.240 nan 0.000 0.448 1291 F N 1.964 121.963 119.950 0.081 0.000 2.432 1291 F HA 0.694 5.147 4.527 -0.122 0.000 0.329 1291 F C 0.986 176.710 175.800 -0.127 0.000 1.076 1291 F CA -0.663 57.371 58.000 0.057 0.000 1.018 1291 F CB 1.568 40.705 39.000 0.228 0.000 1.201 1291 F HN 0.571 nan 8.300 nan 0.000 0.489 1292 S N -0.157 115.371 115.700 -0.285 0.000 2.565 1292 S HA 0.904 5.301 4.470 -0.121 0.000 0.269 1292 S C -0.756 173.108 174.600 -1.227 0.000 1.153 1292 S CA -0.473 57.180 58.200 -0.912 0.000 0.835 1292 S CB 1.586 64.512 63.200 -0.456 0.000 1.122 1292 S HN 1.011 nan 8.310 nan 0.000 0.462 1293 G N 0.512 108.286 108.800 -1.710 0.000 3.262 1293 G HA2 0.516 4.403 3.960 -0.121 0.000 0.229 1293 G HA3 0.516 4.403 3.960 -0.121 0.000 0.229 1293 G C -0.086 174.483 174.900 -0.551 0.000 1.280 1293 G CA -0.841 43.715 45.100 -0.907 0.000 0.951 1293 G HN 0.689 nan 8.290 nan 0.000 0.589 1294 K N -0.879 119.374 120.400 -0.245 0.000 2.097 1294 K HA 0.027 4.275 4.320 -0.121 0.000 0.205 1294 K C 0.541 177.084 176.600 -0.096 0.000 1.050 1294 K CA 1.647 57.865 56.287 -0.114 0.000 0.938 1294 K CB 0.173 32.667 32.500 -0.010 0.000 0.718 1294 K HN 0.339 nan 8.250 nan 0.000 0.442 1295 D N -0.907 119.462 120.400 -0.052 0.000 2.636 1295 D HA 0.061 4.628 4.640 -0.121 0.000 0.270 1295 D C -1.409 174.983 176.300 0.154 0.000 1.430 1295 D CA -0.479 53.556 54.000 0.057 0.000 0.796 1295 D CB 0.485 41.369 40.800 0.140 0.000 1.117 1295 D HN 0.264 nan 8.370 nan 0.000 0.480 1296 W N 0.268 121.570 121.300 0.002 0.000 3.213 1296 W HA 0.614 5.200 4.660 -0.123 0.000 0.318 1296 W C -1.566 174.918 176.519 -0.058 0.000 1.248 1296 W CA -1.117 56.193 57.345 -0.059 0.000 1.187 1296 W CB 0.300 29.724 29.460 -0.061 0.000 1.403 1296 W HN -0.041 nan 8.180 nan 0.000 0.556 1297 S N 1.859 117.677 115.700 0.196 0.000 2.546 1297 S HA 0.799 5.197 4.470 -0.121 0.000 0.274 1297 S C -2.017 172.773 174.600 0.316 0.000 1.121 1297 S CA -0.777 57.503 58.200 0.133 0.000 0.887 1297 S CB 2.438 65.624 63.200 -0.023 0.000 1.094 1297 S HN 0.732 nan 8.310 nan 0.000 0.474 1298 L N 1.879 123.342 121.223 0.400 0.000 2.439 1298 L HA 0.671 4.938 4.340 -0.121 0.000 0.270 1298 L C -0.946 176.113 176.870 0.315 0.000 0.972 1298 L CA 0.161 55.200 54.840 0.331 0.000 0.836 1298 L CB 2.078 44.369 42.059 0.386 0.000 1.255 1298 L HN 0.934 nan 8.230 nan 0.000 0.404 1299 T N 4.475 119.150 114.554 0.202 0.000 2.772 1299 T HA 0.764 5.041 4.350 -0.121 0.000 0.288 1299 T C -0.056 174.739 174.700 0.159 0.000 0.994 1299 T CA -0.245 61.957 62.100 0.170 0.000 0.951 1299 T CB 1.238 70.218 68.868 0.187 0.000 0.933 1299 T HN 0.767 nan 8.240 nan 0.000 0.447 1300 A N 4.607 127.520 122.820 0.156 0.000 2.331 1300 A HA 0.731 4.978 4.320 -0.121 0.000 0.283 1300 A C 0.209 177.811 177.584 0.030 0.000 1.142 1300 A CA -0.591 51.522 52.037 0.127 0.000 0.812 1300 A CB 0.431 19.554 19.000 0.205 0.000 1.074 1300 A HN 0.834 nan 8.150 nan 0.000 0.497 1301 R N 0.610 121.134 120.500 0.039 0.000 2.750 1301 R HA 0.728 4.996 4.340 -0.121 0.000 0.281 1301 R C -0.842 175.476 176.300 0.029 0.000 0.972 1301 R CA -0.426 55.682 56.100 0.012 0.000 0.912 1301 R CB 2.494 32.837 30.300 0.072 0.000 1.187 1301 R HN 0.860 nan 8.270 nan 0.000 0.464 1302 A N 0.924 123.752 122.820 0.013 0.000 2.422 1302 A HA 0.820 5.067 4.320 -0.121 0.000 0.302 1302 A C -0.787 176.827 177.584 0.049 0.000 1.041 1302 A CA -0.683 51.381 52.037 0.045 0.000 0.708 1302 A CB 1.950 20.969 19.000 0.031 0.000 1.257 1302 A HN 0.759 nan 8.150 nan 0.000 0.414 1303 G N -0.102 108.751 108.800 0.089 0.000 2.519 1303 G HA2 0.685 4.573 3.960 -0.121 0.000 0.307 1303 G HA3 0.685 4.573 3.960 -0.121 0.000 0.307 1303 G C -1.757 173.120 174.900 -0.039 0.000 1.266 1303 G CA -0.538 44.587 45.100 0.041 0.000 0.970 1303 G HN 1.321 nan 8.290 nan 0.000 0.481 1304 L N 1.048 122.078 121.223 -0.322 0.000 2.470 1304 L HA 0.652 4.920 4.340 -0.121 0.000 0.268 1304 L C -1.188 175.382 176.870 -0.500 0.000 0.964 1304 L CA -0.649 54.023 54.840 -0.280 0.000 0.839 1304 L CB 1.685 43.657 42.059 -0.145 0.000 1.276 1304 L HN 0.669 nan 8.230 nan 0.000 0.403 1305 H N 3.293 122.321 119.070 -0.071 0.000 2.895 1305 H HA 0.287 4.777 4.556 -0.110 0.000 0.373 1305 H C -1.827 173.534 175.328 0.055 0.000 1.174 1305 H CA -0.520 55.539 56.048 0.017 0.000 1.144 1305 H CB 2.221 31.992 29.762 0.015 0.000 1.793 1305 H HN 0.679 nan 8.280 nan 0.000 0.551 1306 Y N 1.239 121.610 120.300 0.119 0.000 2.320 1306 Y HA 0.291 4.770 4.550 -0.118 0.000 0.334 1306 Y C -0.267 175.719 175.900 0.142 0.000 1.055 1306 Y CA -0.224 57.947 58.100 0.117 0.000 1.143 1306 Y CB 1.137 39.661 38.460 0.106 0.000 1.193 1306 Y HN 0.629 nan 8.280 nan 0.000 0.477 1307 E N 6.592 126.472 120.200 -0.534 0.000 2.272 1307 E HA 0.375 4.653 4.350 -0.121 0.000 0.269 1307 E C -1.866 174.439 176.600 -0.492 0.000 0.877 1307 E CA -0.912 55.242 56.400 -0.409 0.000 0.755 1307 E CB 1.440 31.025 29.700 -0.192 0.000 1.192 1307 E HN 0.546 nan 8.360 nan 0.000 0.422 1308 F N 1.738 121.511 119.950 -0.296 0.000 2.593 1308 F HA 0.660 5.123 4.527 -0.107 0.000 0.320 1308 F C -1.207 174.587 175.800 -0.010 0.000 1.060 1308 F CA -0.982 56.928 58.000 -0.150 0.000 0.940 1308 F CB 1.475 40.446 39.000 -0.049 0.000 1.268 1308 F HN 0.226 nan 8.300 nan 0.000 0.475 1309 D N 2.234 122.787 120.400 0.256 0.000 2.947 1309 D HA 0.450 5.018 4.640 -0.121 0.000 0.224 1309 D C -1.900 174.592 176.300 0.319 0.000 1.230 1309 D CA -0.439 53.687 54.000 0.210 0.000 0.871 1309 D CB 2.511 43.399 40.800 0.146 0.000 1.671 1309 D HN 0.476 nan 8.370 nan 0.000 0.507 1310 L N 1.832 123.234 121.223 0.298 0.000 2.333 1310 L HA 0.281 4.548 4.340 -0.121 0.000 0.280 1310 L C 1.877 178.778 176.870 0.052 0.000 1.004 1310 L CA -0.458 54.480 54.840 0.163 0.000 0.820 1310 L CB 1.551 43.705 42.059 0.159 0.000 1.247 1310 L HN 0.715 nan 8.230 nan 0.000 0.416 1311 T N -1.986 112.422 114.554 -0.244 0.000 2.867 1311 T HA -0.072 4.205 4.350 -0.121 0.000 0.268 1311 T C 0.411 174.966 174.700 -0.241 0.000 1.057 1311 T CA 1.073 62.816 62.100 -0.594 0.000 1.136 1311 T CB -0.110 68.328 68.868 -0.717 0.000 0.874 1311 T HN 0.625 nan 8.240 nan 0.000 0.466 1312 D N 1.597 121.920 120.400 -0.129 0.000 2.686 1312 D HA 0.290 4.857 4.640 -0.121 0.000 0.249 1312 D C -0.206 176.075 176.300 -0.031 0.000 1.260 1312 D CA -0.548 53.405 54.000 -0.079 0.000 0.910 1312 D CB 2.208 42.954 40.800 -0.090 0.000 1.323 1312 D HN 0.367 nan 8.370 nan 0.000 0.561 1331 K N 0.951 121.366 120.400 0.025 0.000 2.316 1331 K HA 0.454 4.701 4.320 -0.121 0.000 0.251 1331 K C -1.644 175.020 176.600 0.107 0.000 0.934 1331 K CA -0.530 55.802 56.287 0.075 0.000 0.802 1331 K CB 2.071 34.603 32.500 0.054 0.000 1.171 1331 K HN 0.716 nan 8.250 nan 0.000 0.426 1332 D N -0.097 120.397 120.400 0.158 0.000 2.570 1332 D HA 0.530 5.097 4.640 -0.121 0.000 0.244 1332 D C -1.548 174.862 176.300 0.184 0.000 1.178 1332 D CA -0.023 54.078 54.000 0.169 0.000 0.881 1332 D CB 1.796 42.709 40.800 0.188 0.000 1.453 1332 D HN 0.565 nan 8.370 nan 0.000 0.447 1333 S N 0.276 116.074 115.700 0.162 0.000 2.567 1333 S HA 0.875 5.273 4.470 -0.121 0.000 0.270 1333 S C -1.158 173.512 174.600 0.118 0.000 1.152 1333 S CA -1.053 57.200 58.200 0.088 0.000 0.835 1333 S CB 2.199 65.490 63.200 0.152 0.000 1.115 1333 S HN 0.783 nan 8.310 nan 0.000 0.459 1334 R N 0.033 120.553 120.500 0.034 0.000 2.712 1334 R HA 0.596 4.864 4.340 -0.121 0.000 0.272 1334 R C -1.697 174.704 176.300 0.168 0.000 1.032 1334 R CA -1.085 55.128 56.100 0.188 0.000 0.874 1334 R CB 0.717 31.114 30.300 0.162 0.000 1.256 1334 R HN 0.522 nan 8.270 nan 0.000 0.468 1335 M N 2.311 122.100 119.600 0.315 0.000 2.238 1335 M HA 0.424 4.831 4.480 -0.121 0.000 0.350 1335 M C -0.693 175.579 176.300 -0.046 0.000 1.138 1335 M CA -0.741 54.634 55.300 0.125 0.000 1.040 1335 M CB 1.025 33.731 32.600 0.176 0.000 1.639 1335 M HN 0.551 nan 8.290 nan 0.000 0.451 1336 L N 3.674 124.823 121.223 -0.123 0.000 2.317 1336 L HA 0.506 4.773 4.340 -0.121 0.000 0.281 1336 L C -1.272 175.480 176.870 -0.197 0.000 1.024 1336 L CA -0.594 54.218 54.840 -0.047 0.000 0.810 1336 L CB 1.159 43.257 42.059 0.065 0.000 1.240 1336 L HN 0.507 nan 8.230 nan 0.000 0.427 1337 Y N 0.826 121.221 120.300 0.159 0.000 2.361 1337 Y HA 0.728 5.206 4.550 -0.119 0.000 0.337 1337 Y C 0.475 176.447 175.900 0.120 0.000 0.965 1337 Y CA -0.821 57.358 58.100 0.132 0.000 1.091 1337 Y CB 2.363 40.874 38.460 0.086 0.000 1.182 1337 Y HN 0.552 nan 8.280 nan 0.000 0.450 1338 G N 1.199 110.148 108.800 0.248 0.000 2.667 1338 G HA2 0.637 4.524 3.960 -0.121 0.000 0.298 1338 G HA3 0.637 4.524 3.960 -0.121 0.000 0.298 1338 G C -1.638 173.348 174.900 0.143 0.000 1.377 1338 G CA -0.964 44.244 45.100 0.180 0.000 0.964 1338 G HN 0.709 nan 8.290 nan 0.000 0.493 1339 V N -0.865 119.114 119.914 0.109 0.000 2.823 1339 V HA 1.067 5.114 4.120 -0.121 0.000 0.312 1339 V C 0.237 176.376 176.094 0.076 0.000 1.072 1339 V CA -0.124 62.227 62.300 0.086 0.000 0.937 1339 V CB 1.474 33.339 31.823 0.071 0.000 1.013 1339 V HN 1.618 nan 8.190 nan 0.000 0.430 1340 G N 1.926 110.769 108.800 0.071 0.000 2.645 1340 G HA2 0.741 4.629 3.960 -0.121 0.000 0.292 1340 G HA3 0.741 4.629 3.960 -0.121 0.000 0.292 1340 G C -1.969 172.974 174.900 0.071 0.000 1.415 1340 G CA -0.935 44.205 45.100 0.066 0.000 0.785 1340 G HN 0.913 nan 8.290 nan 0.000 0.483 1341 L N 0.332 121.596 121.223 0.068 0.000 2.445 1341 L HA 0.527 4.794 4.340 -0.121 0.000 0.262 1341 L C -1.252 175.658 176.870 0.066 0.000 0.974 1341 L CA -1.125 53.762 54.840 0.078 0.000 0.822 1341 L CB 2.704 44.808 42.059 0.075 0.000 1.339 1341 L HN 0.333 nan 8.230 nan 0.000 0.409 1342 N N 1.766 120.508 118.700 0.070 0.000 2.354 1342 N HA 0.752 5.419 4.740 -0.121 0.000 0.287 1342 N C -1.074 174.455 175.510 0.032 0.000 1.016 1342 N CA -0.346 52.730 53.050 0.044 0.000 0.871 1342 N CB 2.506 41.011 38.487 0.029 0.000 1.299 1342 N HN 0.700 nan 8.380 nan 0.000 0.482 1343 A N 2.217 125.031 122.820 -0.010 0.000 2.374 1343 A HA 0.771 5.019 4.320 -0.121 0.000 0.317 1343 A C -0.438 177.018 177.584 -0.213 0.000 1.094 1343 A CA -0.694 51.254 52.037 -0.149 0.000 0.765 1343 A CB 1.429 20.256 19.000 -0.288 0.000 1.268 1343 A HN 0.587 nan 8.150 nan 0.000 0.438 1344 R N 0.598 120.922 120.500 -0.293 0.000 2.480 1344 R HA 0.526 4.793 4.340 -0.121 0.000 0.306 1344 R C -1.931 174.162 176.300 -0.345 0.000 0.958 1344 R CA -0.213 55.778 56.100 -0.181 0.000 0.861 1344 R CB 1.610 31.885 30.300 -0.042 0.000 1.171 1344 R HN 0.582 nan 8.270 nan 0.000 0.445 1345 F N 1.899 121.938 119.950 0.149 0.000 2.347 1345 F HA 0.388 4.841 4.527 -0.124 0.000 0.366 1345 F C 1.277 177.156 175.800 0.131 0.000 1.107 1345 F CA -0.179 57.915 58.000 0.157 0.000 1.058 1345 F CB 1.505 40.578 39.000 0.121 0.000 1.236 1345 F HN 0.885 nan 8.300 nan 0.000 0.456 1346 G N 3.112 112.070 108.800 0.263 0.000 2.574 1346 G HA2 -0.353 3.534 3.960 -0.121 0.000 0.282 1346 G HA3 -0.353 3.534 3.960 -0.121 0.000 0.282 1346 G C 0.526 175.501 174.900 0.125 0.000 1.257 1346 G CA 0.559 45.765 45.100 0.176 0.000 0.956 1346 G HN 0.514 nan 8.290 nan 0.000 0.560 1347 D N 0.364 120.823 120.400 0.097 0.000 2.333 1347 D HA 0.125 4.692 4.640 -0.121 0.000 0.208 1347 D C 2.217 178.534 176.300 0.029 0.000 0.984 1347 D CA 1.004 55.036 54.000 0.053 0.000 0.873 1347 D CB -0.001 40.821 40.800 0.035 0.000 0.935 1347 D HN 0.418 nan 8.370 nan 0.000 0.521 1348 N N -1.610 117.118 118.700 0.048 0.000 2.332 1348 N HA 0.076 4.744 4.740 -0.121 0.000 0.190 1348 N C -0.418 175.076 175.510 -0.027 0.000 1.117 1348 N CA 0.323 53.316 53.050 -0.095 0.000 0.883 1348 N CB 1.037 39.422 38.487 -0.171 0.000 1.089 1348 N HN -0.174 nan 8.380 nan 0.000 0.480 1349 T N 0.949 115.618 114.554 0.192 0.000 2.807 1349 T HA 0.499 4.776 4.350 -0.121 0.000 0.279 1349 T C -0.413 174.496 174.700 0.349 0.000 0.993 1349 T CA -0.568 61.720 62.100 0.314 0.000 0.970 1349 T CB 1.904 70.990 68.868 0.362 0.000 0.950 1349 T HN -0.034 nan 8.240 nan 0.000 0.441 1350 R N 1.481 122.146 120.500 0.274 0.000 2.854 1350 R HA 0.811 5.078 4.340 -0.121 0.000 0.271 1350 R C -1.447 175.002 176.300 0.248 0.000 0.996 1350 R CA -1.026 55.211 56.100 0.228 0.000 0.961 1350 R CB 1.989 32.343 30.300 0.090 0.000 1.182 1350 R HN 0.429 nan 8.270 nan 0.000 0.479 1351 L N -0.460 120.899 121.223 0.226 0.000 2.422 1351 L HA 0.798 5.065 4.340 -0.121 0.000 0.264 1351 L C -1.144 175.788 176.870 0.105 0.000 0.984 1351 L CA -0.114 54.842 54.840 0.194 0.000 0.819 1351 L CB 2.521 44.759 42.059 0.298 0.000 1.330 1351 L HN 0.694 nan 8.230 nan 0.000 0.410 1352 G N 3.426 112.267 108.800 0.069 0.000 2.591 1352 G HA2 0.647 4.534 3.960 -0.121 0.000 0.306 1352 G HA3 0.647 4.534 3.960 -0.121 0.000 0.306 1352 G C -2.368 172.557 174.900 0.042 0.000 1.334 1352 G CA -0.497 44.625 45.100 0.036 0.000 0.981 1352 G HN 0.724 nan 8.290 nan 0.000 0.491 1353 L N 0.416 121.664 121.223 0.043 0.000 2.422 1353 L HA 0.879 5.147 4.340 -0.121 0.000 0.264 1353 L C -0.789 176.105 176.870 0.041 0.000 0.984 1353 L CA -0.960 53.906 54.840 0.043 0.000 0.819 1353 L CB 2.298 44.387 42.059 0.051 0.000 1.330 1353 L HN 0.684 nan 8.230 nan 0.000 0.410 1354 E N 2.598 122.821 120.200 0.040 0.000 2.335 1354 E HA 0.589 4.866 4.350 -0.121 0.000 0.280 1354 E C -2.159 174.471 176.600 0.050 0.000 0.918 1354 E CA -0.617 55.810 56.400 0.046 0.000 0.765 1354 E CB 2.498 32.219 29.700 0.037 0.000 1.218 1354 E HN 0.548 nan 8.360 nan 0.000 0.425 1355 V N 3.189 123.138 119.914 0.058 0.000 2.628 1355 V HA 0.684 4.731 4.120 -0.121 0.000 0.306 1355 V C -1.063 175.078 176.094 0.079 0.000 1.045 1355 V CA -0.138 62.197 62.300 0.059 0.000 0.905 1355 V CB 1.780 33.631 31.823 0.046 0.000 0.997 1355 V HN 0.859 nan 8.190 nan 0.000 0.436 1356 E N 4.535 124.785 120.200 0.084 0.000 2.413 1356 E HA 0.685 4.963 4.350 -0.121 0.000 0.277 1356 E C -1.362 175.304 176.600 0.110 0.000 0.958 1356 E CA -0.947 55.519 56.400 0.110 0.000 0.779 1356 E CB 2.307 32.067 29.700 0.100 0.000 1.278 1356 E HN 0.810 nan 8.360 nan 0.000 0.456 1357 R N 1.136 121.726 120.500 0.150 0.000 2.680 1357 R HA 0.477 4.744 4.340 -0.121 0.000 0.269 1357 R C -1.609 174.822 176.300 0.218 0.000 1.026 1357 R CA -0.372 55.809 56.100 0.134 0.000 0.889 1357 R CB 1.706 32.054 30.300 0.081 0.000 1.241 1357 R HN 0.623 nan 8.270 nan 0.000 0.463 1358 S N 1.473 117.269 115.700 0.159 0.000 2.677 1358 S HA 0.953 5.351 4.470 -0.121 0.000 0.304 1358 S C -0.983 173.702 174.600 0.141 0.000 1.108 1358 S CA -0.478 57.848 58.200 0.210 0.000 0.944 1358 S CB 2.182 65.463 63.200 0.136 0.000 1.127 1358 S HN 0.832 nan 8.310 nan 0.000 0.511 1359 A N -0.346 122.568 122.820 0.158 0.000 2.556 1359 A HA 0.845 5.092 4.320 -0.121 0.000 0.294 1359 A C -0.311 177.226 177.584 -0.079 0.000 1.091 1359 A CA -0.775 51.155 52.037 -0.179 0.000 0.704 1359 A CB -0.125 18.535 19.000 -0.568 0.000 1.300 1359 A HN 1.604 nan 8.150 nan 0.000 0.406 1360 F N -1.185 118.845 119.950 0.133 0.000 2.502 1360 F HA -0.229 4.224 4.527 -0.123 0.000 0.480 1360 F C 1.373 177.241 175.800 0.115 0.000 0.543 1360 F CA 0.691 58.765 58.000 0.123 0.000 1.350 1360 F CB -1.501 37.588 39.000 0.148 0.000 1.999 1360 F HN 1.041 nan 8.300 nan 0.000 0.267 1361 G N 0.836 109.776 108.800 0.234 0.000 2.544 1361 G HA2 0.303 4.190 3.960 -0.121 0.000 0.242 1361 G HA3 0.303 4.190 3.960 -0.121 0.000 0.242 1361 G C 0.709 175.704 174.900 0.159 0.000 1.247 1361 G CA -0.036 45.180 45.100 0.193 0.000 0.840 1361 G HN 0.288 nan 8.290 nan 0.000 0.578 1362 K N 0.088 120.589 120.400 0.168 0.000 2.025 1362 K HA -0.082 4.165 4.320 -0.121 0.000 0.207 1362 K C 0.411 177.108 176.600 0.161 0.000 1.049 1362 K CA 0.852 57.226 56.287 0.146 0.000 0.933 1362 K CB -0.025 32.561 32.500 0.143 0.000 0.714 1362 K HN 0.565 nan 8.250 nan 0.000 0.438 1363 Y N 2.094 122.440 120.300 0.077 0.000 2.320 1363 Y HA 0.202 4.679 4.550 -0.122 0.000 0.334 1363 Y C -0.640 175.317 175.900 0.095 0.000 1.055 1363 Y CA -0.719 57.424 58.100 0.071 0.000 1.143 1363 Y CB 0.713 39.190 38.460 0.028 0.000 1.193 1363 Y HN -0.043 nan 8.280 nan 0.000 0.477 1364 N N 3.374 121.783 118.700 -0.485 0.000 2.240 1364 N HA 0.213 4.880 4.740 -0.121 0.000 0.302 1364 N C -1.314 173.926 175.510 -0.450 0.000 1.106 1364 N CA -0.708 52.165 53.050 -0.296 0.000 0.778 1364 N CB 2.093 40.510 38.487 -0.117 0.000 1.431 1364 N HN 0.570 nan 8.380 nan 0.000 0.479 1365 T N 1.228 115.695 114.554 -0.144 0.000 2.752 1365 T HA 0.087 4.365 4.350 -0.121 0.000 0.295 1365 T C 0.696 175.387 174.700 -0.014 0.000 0.923 1365 T CA -0.060 62.034 62.100 -0.009 0.000 1.112 1365 T CB 0.505 69.446 68.868 0.122 0.000 0.884 1365 T HN 0.309 nan 8.240 nan 0.000 0.525 1366 D N 2.637 123.021 120.400 -0.027 0.000 2.213 1366 D HA 0.054 4.622 4.640 -0.121 0.000 0.205 1366 D C 0.259 176.552 176.300 -0.013 0.000 0.961 1366 D CA 0.881 54.864 54.000 -0.029 0.000 0.853 1366 D CB 0.365 41.139 40.800 -0.044 0.000 0.967 1366 D HN 0.775 nan 8.370 nan 0.000 0.496 1367 D N -1.227 119.172 120.400 -0.002 0.000 2.745 1367 D HA 0.578 5.145 4.640 -0.121 0.000 0.221 1367 D C -1.410 174.896 176.300 0.010 0.000 1.237 1367 D CA -0.932 53.068 54.000 -0.000 0.000 0.781 1367 D CB 1.494 42.276 40.800 -0.030 0.000 1.575 1367 D HN 0.002 nan 8.370 nan 0.000 0.482 1368 A N 1.384 124.227 122.820 0.038 0.000 2.517 1368 A HA 0.715 4.963 4.320 -0.121 0.000 0.297 1368 A C -1.436 176.179 177.584 0.052 0.000 1.050 1368 A CA -0.785 51.287 52.037 0.059 0.000 0.694 1368 A CB 1.088 20.174 19.000 0.142 0.000 1.277 1368 A HN 0.593 nan 8.150 nan 0.000 0.400 1369 I N 1.909 122.504 120.570 0.042 0.000 2.418 1369 I HA 0.359 4.456 4.170 -0.121 0.000 0.287 1369 I C -0.349 175.800 176.117 0.054 0.000 1.008 1369 I CA -0.584 60.740 61.300 0.040 0.000 1.104 1369 I CB 2.159 40.172 38.000 0.023 0.000 1.264 1369 I HN 0.738 nan 8.210 nan 0.000 0.438 1370 N N 4.575 123.307 118.700 0.052 0.000 2.342 1370 N HA 0.787 5.454 4.740 -0.121 0.000 0.293 1370 N C -1.257 174.278 175.510 0.041 0.000 1.026 1370 N CA -0.293 52.786 53.050 0.049 0.000 0.857 1370 N CB 1.784 40.293 38.487 0.037 0.000 1.256 1370 N HN 0.765 nan 8.380 nan 0.000 0.484 1371 A N 2.479 125.327 122.820 0.047 0.000 2.449 1371 A HA 0.674 4.922 4.320 -0.121 0.000 0.302 1371 A C -1.317 176.302 177.584 0.059 0.000 1.048 1371 A CA -0.800 51.267 52.037 0.050 0.000 0.708 1371 A CB 0.893 19.925 19.000 0.054 0.000 1.274 1371 A HN 0.924 nan 8.150 nan 0.000 0.410 1372 N N -0.041 118.693 118.700 0.057 0.000 2.416 1372 N HA 0.757 5.424 4.740 -0.121 0.000 0.276 1372 N C -1.453 174.122 175.510 0.108 0.000 1.261 1372 N CA -0.600 52.500 53.050 0.084 0.000 0.790 1372 N CB 1.392 39.891 38.487 0.020 0.000 1.554 1372 N HN 0.469 nan 8.380 nan 0.000 0.481 1373 I N -0.297 120.369 120.570 0.161 0.000 2.582 1373 I HA 0.459 4.557 4.170 -0.121 0.000 0.292 1373 I C -0.519 175.740 176.117 0.236 0.000 1.066 1373 I CA -0.795 60.609 61.300 0.174 0.000 1.053 1373 I CB 2.248 40.340 38.000 0.153 0.000 1.241 1373 I HN 0.515 nan 8.210 nan 0.000 0.421 1374 R N 4.676 125.310 120.500 0.223 0.000 2.599 1374 R HA 0.444 4.712 4.340 -0.121 0.000 0.295 1374 R C -2.038 174.444 176.300 0.302 0.000 0.963 1374 R CA -0.621 55.638 56.100 0.265 0.000 0.883 1374 R CB 1.903 32.286 30.300 0.138 0.000 1.171 1374 R HN 0.590 nan 8.270 nan 0.000 0.450 1375 Y N 2.166 122.604 120.300 0.231 0.000 2.328 1375 Y HA 0.424 4.900 4.550 -0.123 0.000 0.336 1375 Y C -1.250 174.866 175.900 0.360 0.000 0.960 1375 Y CA -0.189 58.062 58.100 0.251 0.000 1.134 1375 Y CB 1.862 40.441 38.460 0.198 0.000 1.166 1375 Y HN 0.528 nan 8.280 nan 0.000 0.464 1376 S N 6.818 122.377 115.700 -0.236 0.000 2.513 1376 S HA 0.765 5.163 4.470 -0.121 0.000 0.299 1376 S C -1.539 172.945 174.600 -0.192 0.000 1.087 1376 S CA -0.584 57.542 58.200 -0.124 0.000 1.012 1376 S CB 0.956 64.114 63.200 -0.069 0.000 1.044 1376 S HN 0.556 nan 8.310 nan 0.000 0.485 1377 F N -0.133 119.712 119.950 -0.175 0.000 2.641 1377 F HA 0.720 5.174 4.527 -0.122 0.000 0.308 1377 F C -1.684 174.094 175.800 -0.037 0.000 1.105 1377 F CA -1.393 56.533 58.000 -0.123 0.000 0.964 1377 F CB 0.547 39.532 39.000 -0.026 0.000 1.294 1377 F HN 0.307 nan 8.300 nan 0.000 0.442 1378 L N 2.613 123.890 121.223 0.090 0.000 2.343 1378 L HA 0.418 4.686 4.340 -0.121 0.000 0.275 1378 L C 0.800 177.738 176.870 0.112 0.000 1.056 1378 L CA -0.894 53.968 54.840 0.036 0.000 0.804 1378 L CB 0.937 43.014 42.059 0.029 0.000 1.203 1378 L HN 0.653 nan 8.230 nan 0.000 0.440 1379 E N 0.000 120.240 120.200 0.067 0.000 2.725 1379 E HA 0.000 4.277 4.350 -0.121 0.000 0.291 1379 E CA 0.000 56.454 56.400 0.090 0.000 0.976 1379 E CB 0.000 29.728 29.700 0.046 0.000 0.812 1379 E HN 0.000 nan 8.360 nan 0.000 0.440