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 2xba_1_A DATA FIRST_RESID 1095 DATA SEQUENCE NYCFAGKTSS ISDLKEVPRK NITLIRGLXX XXXXXVYEGQ VSXXXXXXXP DATA SEQUENCE LQVAVKTLPE VCSEQDELDF LMEALIISKF NHQNIVRCIG VSLQSLPRFI DATA SEQUENCE LLELMAGGDL KSFLRETRPR PSQPSSLAML DLLHVARDIA CGCQYLEENH DATA SEQUENCE FIHRDIAARN CLLTCPGPGR VAKIGDFGMA RDIYXXXXXX XXXXAMLPVK DATA SEQUENCE WMPPEAFMEG IFTSKTDTWS FGVLLWEIFS LGYMPYPSKS NQEVLEFVTS DATA SEQUENCE GGRMDPPKNC PGPVYRIMTQ CWQHQPEDRP NFAIILERIE YCTQDPDVIN DATA SEQUENCE TALPIEYG 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 1095 N HA 0.000 nan 4.740 nan 0.000 0.220 1095 N C 0.000 175.646 175.510 0.226 0.000 1.280 1095 N CA 0.000 53.131 53.050 0.135 0.000 0.885 1095 N CB 0.000 38.558 38.487 0.119 0.000 1.341 1096 Y N 1.193 121.515 120.300 0.037 0.000 2.421 1096 Y HA 0.665 4.986 4.550 -0.381 0.000 0.339 1096 Y C -1.338 174.597 175.900 0.058 0.000 0.996 1096 Y CA -1.049 57.041 58.100 -0.016 0.000 1.046 1096 Y CB 1.512 39.841 38.460 -0.218 0.000 1.226 1096 Y HN 0.220 nan 8.280 nan 0.000 0.445 1097 C N 7.094 126.036 119.300 -0.596 0.000 2.345 1097 C HA 0.697 4.926 4.460 -0.384 0.000 0.323 1097 C C -1.077 173.576 174.990 -0.561 0.000 1.276 1097 C CA -0.854 57.914 59.018 -0.416 0.000 1.543 1097 C CB -0.328 27.355 27.740 -0.095 0.000 2.211 1097 C HN 0.729 nan 8.230 nan 0.000 0.493 1098 F N 1.972 121.631 119.950 -0.486 0.000 2.574 1098 F HA 0.640 4.937 4.527 -0.382 0.000 0.313 1098 F C 0.403 176.163 175.800 -0.066 0.000 1.130 1098 F CA 0.245 58.112 58.000 -0.222 0.000 0.936 1098 F CB 1.331 40.225 39.000 -0.176 0.000 1.219 1098 F HN 1.008 nan 8.300 nan 0.000 0.445 1099 A N 3.587 125.893 122.820 -0.857 0.000 2.832 1099 A HA 0.139 4.228 4.320 -0.384 0.000 0.280 1099 A C 1.679 179.088 177.584 -0.291 0.000 1.464 1099 A CA 1.504 53.124 52.037 -0.695 0.000 0.804 1099 A CB -2.306 16.103 19.000 -0.986 0.000 1.020 1099 A HN 2.821 nan 8.150 nan 0.000 0.563 1100 G N -2.132 106.557 108.800 -0.184 0.000 2.153 1100 G HA2 -0.283 3.446 3.960 -0.384 0.000 0.252 1100 G HA3 -0.283 3.446 3.960 -0.384 0.000 0.252 1100 G C -0.016 174.834 174.900 -0.084 0.000 0.994 1100 G CA 1.147 46.184 45.100 -0.105 0.000 0.698 1100 G HN 1.232 nan 8.290 nan 0.000 0.521 1101 K N 0.280 120.624 120.400 -0.092 0.000 2.316 1101 K HA 0.585 4.674 4.320 -0.384 0.000 0.251 1101 K C -0.373 176.198 176.600 -0.048 0.000 0.934 1101 K CA -0.608 55.651 56.287 -0.048 0.000 0.802 1101 K CB 1.881 34.368 32.500 -0.021 0.000 1.171 1101 K HN 0.087 nan 8.250 nan 0.000 0.426 1102 T N 1.031 115.570 114.554 -0.025 0.000 2.902 1102 T HA 0.407 4.526 4.350 -0.384 0.000 0.283 1102 T C -0.143 174.567 174.700 0.017 0.000 1.009 1102 T CA -0.659 61.430 62.100 -0.017 0.000 1.051 1102 T CB 1.222 70.089 68.868 -0.001 0.000 0.999 1102 T HN 0.720 nan 8.240 nan 0.000 0.474 1103 S N 0.661 116.390 115.700 0.047 0.000 2.579 1103 S HA 0.865 5.104 4.470 -0.384 0.000 0.272 1103 S C -0.605 174.041 174.600 0.076 0.000 1.141 1103 S CA -0.819 57.420 58.200 0.066 0.000 0.843 1103 S CB 1.920 65.171 63.200 0.085 0.000 1.122 1103 S HN 0.921 nan 8.310 nan 0.000 0.468 1104 S N 0.649 116.377 115.700 0.046 0.000 2.806 1104 S HA 0.561 4.800 4.470 -0.384 0.000 0.306 1104 S C 0.855 175.463 174.600 0.013 0.000 1.167 1104 S CA -0.574 57.649 58.200 0.037 0.000 0.847 1104 S CB 0.511 63.731 63.200 0.034 0.000 1.216 1104 S HN 1.091 nan 8.310 nan 0.000 0.532 1105 I N 1.385 121.960 120.570 0.007 0.000 2.248 1105 I HA -0.194 3.745 4.170 -0.384 0.000 0.248 1105 I C 1.954 178.069 176.117 -0.003 0.000 1.107 1105 I CA 1.883 63.181 61.300 -0.004 0.000 1.373 1105 I CB -0.415 37.588 38.000 0.005 0.000 1.055 1105 I HN 0.738 nan 8.210 nan 0.000 0.418 1106 S N 0.597 116.300 115.700 0.004 0.000 2.440 1106 S HA -0.182 4.057 4.470 -0.384 0.000 0.238 1106 S C 1.367 175.967 174.600 0.001 0.000 1.010 1106 S CA 1.463 59.665 58.200 0.004 0.000 0.972 1106 S CB -0.370 62.835 63.200 0.007 0.000 0.774 1106 S HN 0.592 nan 8.310 nan 0.000 0.501 1107 D N 0.748 121.148 120.400 -0.000 0.000 2.333 1107 D HA 0.115 4.524 4.640 -0.384 0.000 0.208 1107 D C 0.427 176.718 176.300 -0.015 0.000 0.984 1107 D CA 0.158 54.157 54.000 -0.003 0.000 0.873 1107 D CB 0.004 40.807 40.800 0.005 0.000 0.935 1107 D HN 0.349 nan 8.370 nan 0.000 0.521 1108 L N 1.702 122.911 121.223 -0.024 0.000 2.456 1108 L HA 0.025 4.134 4.340 -0.384 0.000 0.272 1108 L C 0.737 177.595 176.870 -0.020 0.000 1.189 1108 L CA -0.091 54.727 54.840 -0.036 0.000 0.846 1108 L CB 0.460 42.492 42.059 -0.045 0.000 1.111 1108 L HN -0.380 nan 8.230 nan 0.000 0.475 1109 K N 3.122 123.509 120.400 -0.021 0.000 2.220 1109 K HA 0.126 4.216 4.320 -0.384 0.000 0.283 1109 K C -0.225 176.375 176.600 0.000 0.000 1.098 1109 K CA -0.174 56.108 56.287 -0.009 0.000 0.928 1109 K CB 0.293 32.787 32.500 -0.010 0.000 1.214 1109 K HN 0.373 nan 8.250 nan 0.000 0.442 1110 E N 1.936 122.138 120.200 0.004 0.000 2.316 1110 E HA 0.119 4.238 4.350 -0.384 0.000 0.275 1110 E C -0.873 175.737 176.600 0.018 0.000 1.029 1110 E CA -0.400 56.008 56.400 0.013 0.000 0.871 1110 E CB 0.712 30.417 29.700 0.009 0.000 1.022 1110 E HN 0.144 nan 8.360 nan 0.000 0.418 1111 V N 7.324 127.256 119.914 0.031 0.000 2.435 1111 V HA 0.359 4.248 4.120 -0.384 0.000 0.290 1111 V C -2.108 174.007 176.094 0.035 0.000 1.030 1111 V CA -2.116 60.205 62.300 0.036 0.000 0.881 1111 V CB 1.460 33.314 31.823 0.052 0.000 0.983 1111 V HN 0.811 nan 8.190 nan 0.000 0.445 1112 P HA 0.100 nan 4.420 nan 0.000 0.264 1112 P C 0.520 177.836 177.300 0.027 0.000 1.193 1112 P CA -0.150 62.959 63.100 0.016 0.000 0.763 1112 P CB 0.576 32.283 31.700 0.012 0.000 0.810 1113 R N 5.591 126.097 120.500 0.009 0.000 2.127 1113 R HA -0.188 3.922 4.340 -0.384 0.000 0.238 1113 R C 1.741 178.062 176.300 0.035 0.000 1.134 1113 R CA 2.019 58.127 56.100 0.014 0.000 0.975 1113 R CB -0.698 29.570 30.300 -0.053 0.000 0.865 1113 R HN 0.468 nan 8.270 nan 0.000 0.447 1114 K N -0.843 119.567 120.400 0.017 0.000 2.280 1114 K HA -0.044 4.046 4.320 -0.384 0.000 0.202 1114 K C 0.928 177.544 176.600 0.026 0.000 1.047 1114 K CA 1.507 57.805 56.287 0.018 0.000 0.942 1114 K CB -0.157 32.347 32.500 0.007 0.000 0.739 1114 K HN 0.076 nan 8.250 nan 0.000 0.457 1115 N N 0.707 119.426 118.700 0.032 0.000 2.461 1115 N HA 0.112 4.621 4.740 -0.384 0.000 0.188 1115 N C -0.194 175.342 175.510 0.044 0.000 1.134 1115 N CA 0.512 53.581 53.050 0.032 0.000 0.878 1115 N CB 0.159 38.663 38.487 0.028 0.000 0.972 1115 N HN 0.284 nan 8.380 nan 0.000 0.456 1116 I N 0.553 121.164 120.570 0.069 0.000 2.362 1116 I HA 0.199 4.139 4.170 -0.384 0.000 0.289 1116 I C -0.379 175.783 176.117 0.075 0.000 0.994 1116 I CA -0.345 61.008 61.300 0.088 0.000 1.158 1116 I CB 1.825 39.939 38.000 0.189 0.000 1.315 1116 I HN -0.283 nan 8.210 nan 0.000 0.451 1117 T N 6.852 121.424 114.554 0.029 0.000 2.812 1117 T HA 0.525 4.645 4.350 -0.384 0.000 0.282 1117 T C -0.111 174.570 174.700 -0.031 0.000 0.990 1117 T CA -0.569 61.536 62.100 0.009 0.000 0.960 1117 T CB 1.287 70.158 68.868 0.006 0.000 0.948 1117 T HN 0.269 nan 8.240 nan 0.000 0.438 1118 L N 4.006 125.193 121.223 -0.060 0.000 2.349 1118 L HA 0.349 4.458 4.340 -0.384 0.000 0.275 1118 L C 0.654 177.508 176.870 -0.026 0.000 1.115 1118 L CA -0.675 54.105 54.840 -0.100 0.000 0.820 1118 L CB 0.510 42.423 42.059 -0.242 0.000 1.135 1118 L HN 0.572 nan 8.230 nan 0.000 0.445 1119 I N 1.241 121.822 120.570 0.018 0.000 3.194 1119 I HA 0.182 4.122 4.170 -0.384 0.000 0.271 1119 I C 0.669 176.827 176.117 0.068 0.000 1.150 1119 I CA 0.879 62.200 61.300 0.034 0.000 1.440 1119 I CB -0.101 37.914 38.000 0.025 0.000 1.276 1119 I HN 0.744 nan 8.210 nan 0.000 0.457 1120 R N 0.062 120.632 120.500 0.117 0.000 2.690 1120 R HA 0.523 4.633 4.340 -0.384 0.000 0.269 1120 R C -0.390 175.999 176.300 0.149 0.000 1.037 1120 R CA -0.652 55.522 56.100 0.124 0.000 0.877 1120 R CB 0.794 31.127 30.300 0.055 0.000 1.255 1120 R HN -0.030 nan 8.270 nan 0.000 0.467 1121 G N 1.792 110.624 108.800 0.053 0.000 2.527 1121 G HA2 0.453 4.182 3.960 -0.384 0.000 0.248 1121 G HA3 0.453 4.182 3.960 -0.384 0.000 0.248 1121 G C -0.297 174.517 174.900 -0.143 0.000 1.231 1121 G CA -0.723 44.249 45.100 -0.213 0.000 0.838 1121 G HN 0.375 nan 8.290 nan 0.000 0.570 1131 Y N 0.914 121.174 120.300 -0.068 0.000 2.485 1131 Y HA 0.561 4.893 4.550 -0.363 0.000 0.345 1131 Y C 0.304 176.156 175.900 -0.081 0.000 0.998 1131 Y CA -0.752 57.302 58.100 -0.077 0.000 1.059 1131 Y CB 1.742 40.135 38.460 -0.113 0.000 1.234 1131 Y HN 0.714 nan 8.280 nan 0.000 0.461 1132 E N 1.120 121.373 120.200 0.088 0.000 2.338 1132 E HA 0.502 4.622 4.350 -0.384 0.000 0.272 1132 E C -0.325 176.295 176.600 0.034 0.000 1.029 1132 E CA -0.071 56.354 56.400 0.041 0.000 0.872 1132 E CB 0.624 30.340 29.700 0.025 0.000 1.015 1132 E HN 0.900 nan 8.360 nan 0.000 0.417 1133 G N 2.924 111.720 108.800 -0.007 0.000 2.766 1133 G HA2 0.372 4.101 3.960 -0.384 0.000 0.288 1133 G HA3 0.372 4.101 3.960 -0.384 0.000 0.288 1133 G C -1.398 173.489 174.900 -0.021 0.000 1.408 1133 G CA -0.552 44.528 45.100 -0.033 0.000 0.852 1133 G HN 0.522 nan 8.290 nan 0.000 0.487 1134 Q N -0.713 119.076 119.800 -0.018 0.000 2.375 1134 Q HA 0.592 4.701 4.340 -0.384 0.000 0.271 1134 Q C -1.328 174.672 176.000 -0.000 0.000 1.074 1134 Q CA -0.815 54.984 55.803 -0.007 0.000 0.808 1134 Q CB 3.262 31.999 28.738 -0.001 0.000 1.327 1134 Q HN 0.305 nan 8.270 nan 0.000 0.441 1135 V N 1.823 121.739 119.914 0.003 0.000 2.495 1135 V HA 0.396 4.285 4.120 -0.384 0.000 0.298 1135 V C 0.107 176.207 176.094 0.010 0.000 1.031 1135 V CA -0.440 61.868 62.300 0.013 0.000 0.871 1135 V CB 1.643 33.475 31.823 0.015 0.000 0.988 1135 V HN 0.938 nan 8.190 nan 0.000 0.432 1145 L N 2.487 123.708 121.223 -0.002 0.000 2.278 1145 L HA 0.309 4.418 4.340 -0.384 0.000 0.287 1145 L C 0.516 177.383 176.870 -0.006 0.000 1.072 1145 L CA 0.367 55.204 54.840 -0.004 0.000 0.819 1145 L CB 0.746 42.803 42.059 -0.004 0.000 1.176 1145 L HN 0.303 nan 8.230 nan 0.000 0.435 1146 Q N 3.877 123.673 119.800 -0.007 0.000 2.313 1146 Q HA 0.495 4.604 4.340 -0.384 0.000 0.266 1146 Q C -0.523 175.470 176.000 -0.011 0.000 0.989 1146 Q CA -0.063 55.735 55.803 -0.008 0.000 0.890 1146 Q CB 1.353 30.087 28.738 -0.008 0.000 1.200 1146 Q HN 0.641 nan 8.270 nan 0.000 0.396 1147 V N -1.381 118.525 119.914 -0.014 0.000 3.160 1147 V HA 0.960 4.849 4.120 -0.384 0.000 0.310 1147 V C -1.002 175.080 176.094 -0.019 0.000 1.181 1147 V CA -1.219 61.071 62.300 -0.018 0.000 1.047 1147 V CB 1.785 33.596 31.823 -0.021 0.000 1.068 1147 V HN 0.747 nan 8.190 nan 0.000 0.441 1148 A N 1.215 124.024 122.820 -0.018 0.000 2.312 1148 A HA 0.856 4.946 4.320 -0.384 0.000 0.326 1148 A C -0.554 177.012 177.584 -0.031 0.000 1.172 1148 A CA -0.663 51.365 52.037 -0.015 0.000 0.821 1148 A CB 1.395 20.390 19.000 -0.008 0.000 1.166 1148 A HN 1.465 nan 8.150 nan 0.000 0.493 1149 V N 2.722 122.611 119.914 -0.041 0.000 2.378 1149 V HA 0.346 4.235 4.120 -0.384 0.000 0.288 1149 V C 0.110 176.202 176.094 -0.003 0.000 1.016 1149 V CA -0.603 61.623 62.300 -0.122 0.000 0.840 1149 V CB 1.216 32.790 31.823 -0.416 0.000 0.994 1149 V HN 0.931 nan 8.190 nan 0.000 0.431 1150 K N 3.350 123.792 120.400 0.071 0.000 2.183 1150 K HA 0.633 4.723 4.320 -0.384 0.000 0.274 1150 K C 0.087 176.908 176.600 0.368 0.000 1.009 1150 K CA -0.293 56.111 56.287 0.195 0.000 0.888 1150 K CB 1.251 33.860 32.500 0.181 0.000 1.078 1150 K HN 0.863 nan 8.250 nan 0.000 0.459 1151 T N 1.360 116.122 114.554 0.347 0.000 2.888 1151 T HA 0.425 4.544 4.350 -0.384 0.000 0.284 1151 T C -0.726 173.996 174.700 0.035 0.000 1.017 1151 T CA -1.053 61.242 62.100 0.324 0.000 1.022 1151 T CB 1.249 70.307 68.868 0.317 0.000 1.013 1151 T HN 0.378 nan 8.240 nan 0.000 0.465 1152 L N 3.262 124.258 121.223 -0.379 0.000 2.275 1152 L HA 0.571 4.681 4.340 -0.384 0.000 0.288 1152 L C -2.611 174.105 176.870 -0.257 0.000 1.046 1152 L CA -2.225 52.227 54.840 -0.647 0.000 0.805 1152 L CB 0.613 41.889 42.059 -1.305 0.000 1.193 1152 L HN 0.468 nan 8.230 nan 0.000 0.426 1153 P HA 0.064 nan 4.420 nan 0.000 0.264 1153 P C 0.073 177.315 177.300 -0.096 0.000 1.193 1153 P CA 0.137 63.192 63.100 -0.075 0.000 0.763 1153 P CB 0.494 32.170 31.700 -0.040 0.000 0.810 1154 E N 0.934 121.092 120.200 -0.070 0.000 2.153 1154 E HA -0.066 4.054 4.350 -0.384 0.000 0.194 1154 E C 0.137 176.706 176.600 -0.051 0.000 0.988 1154 E CA 0.877 57.235 56.400 -0.069 0.000 0.811 1154 E CB 0.077 29.744 29.700 -0.054 0.000 0.746 1154 E HN 0.228 nan 8.360 nan 0.000 0.466 1155 V N 2.999 122.891 119.914 -0.037 0.000 2.267 1155 V HA 0.083 3.972 4.120 -0.384 0.000 0.254 1155 V C 0.243 176.321 176.094 -0.027 0.000 1.144 1155 V CA -0.440 61.844 62.300 -0.026 0.000 0.992 1155 V CB -0.656 31.158 31.823 -0.015 0.000 1.199 1155 V HN 0.308 nan 8.190 nan 0.000 0.493 1156 C N 2.087 121.369 119.300 -0.030 0.000 3.239 1156 C HA 0.873 5.102 4.460 -0.384 0.000 0.317 1156 C C 0.396 175.376 174.990 -0.016 0.000 1.310 1156 C CA -0.565 58.437 59.018 -0.026 0.000 1.371 1156 C CB 1.338 29.049 27.740 -0.048 0.000 1.714 1156 C HN 0.706 nan 8.230 nan 0.000 0.473 1157 S N 0.362 116.059 115.700 -0.005 0.000 2.624 1157 S HA 0.315 4.554 4.470 -0.384 0.000 0.263 1157 S C 0.563 175.166 174.600 0.005 0.000 1.287 1157 S CA 0.050 58.252 58.200 0.002 0.000 0.990 1157 S CB 0.402 63.608 63.200 0.010 0.000 0.950 1157 S HN 0.866 nan 8.310 nan 0.000 0.561 1158 E N -0.187 120.019 120.200 0.010 0.000 2.268 1158 E HA -0.152 3.967 4.350 -0.384 0.000 0.195 1158 E C 1.860 178.477 176.600 0.027 0.000 0.995 1158 E CA 0.755 57.165 56.400 0.016 0.000 0.836 1158 E CB -0.110 29.599 29.700 0.015 0.000 0.763 1158 E HN 0.707 nan 8.360 nan 0.000 0.491 1159 Q N 1.127 120.944 119.800 0.028 0.000 2.172 1159 Q HA -0.143 3.966 4.340 -0.384 0.000 0.200 1159 Q C 1.325 177.353 176.000 0.048 0.000 0.964 1159 Q CA 1.347 57.173 55.803 0.038 0.000 0.855 1159 Q CB 0.151 28.909 28.738 0.034 0.000 0.918 1159 Q HN 0.135 nan 8.270 nan 0.000 0.444 1160 D N 0.197 120.620 120.400 0.039 0.000 2.117 1160 D HA -0.156 4.253 4.640 -0.384 0.000 0.197 1160 D C 1.619 177.962 176.300 0.071 0.000 0.987 1160 D CA 1.041 55.069 54.000 0.047 0.000 0.829 1160 D CB 0.014 40.822 40.800 0.013 0.000 0.961 1160 D HN 0.358 nan 8.370 nan 0.000 0.460 1161 E N 0.520 120.748 120.200 0.046 0.000 2.058 1161 E HA -0.134 3.986 4.350 -0.384 0.000 0.194 1161 E C 2.512 179.179 176.600 0.112 0.000 0.997 1161 E CA 0.510 56.950 56.400 0.067 0.000 0.801 1161 E CB -0.281 29.439 29.700 0.033 0.000 0.746 1161 E HN 0.360 nan 8.360 nan 0.000 0.450 1162 L N 1.040 122.312 121.223 0.081 0.000 2.109 1162 L HA -0.161 3.948 4.340 -0.384 0.000 0.207 1162 L C 2.107 179.025 176.870 0.080 0.000 1.086 1162 L CA 0.830 55.714 54.840 0.074 0.000 0.760 1162 L CB -0.330 41.765 42.059 0.061 0.000 0.910 1162 L HN -0.033 nan 8.230 nan 0.000 0.437 1163 D N -0.095 120.361 120.400 0.094 0.000 2.123 1163 D HA -0.238 4.171 4.640 -0.384 0.000 0.196 1163 D C 1.918 178.290 176.300 0.120 0.000 0.992 1163 D CA 1.399 55.456 54.000 0.094 0.000 0.833 1163 D CB -0.183 40.678 40.800 0.103 0.000 0.954 1163 D HN 0.178 nan 8.370 nan 0.000 0.455 1164 F N 0.872 120.821 119.950 -0.003 0.000 2.146 1164 F HA -0.092 4.193 4.527 -0.403 0.000 0.298 1164 F C 2.103 177.886 175.800 -0.029 0.000 1.096 1164 F CA 0.567 58.565 58.000 -0.005 0.000 1.275 1164 F CB -0.366 38.640 39.000 0.011 0.000 1.008 1164 F HN -0.094 nan 8.300 nan 0.000 0.480 1165 L N 0.011 121.292 121.223 0.096 0.000 2.042 1165 L HA -0.204 3.905 4.340 -0.384 0.000 0.210 1165 L C 2.255 179.038 176.870 -0.144 0.000 1.076 1165 L CA 2.023 56.845 54.840 -0.031 0.000 0.749 1165 L CB -0.972 41.103 42.059 0.026 0.000 0.893 1165 L HN 0.294 nan 8.230 nan 0.000 0.432 1166 M N -0.236 119.290 119.600 -0.124 0.000 2.175 1166 M HA -0.174 4.075 4.480 -0.384 0.000 0.264 1166 M C 2.204 178.297 176.300 -0.346 0.000 1.063 1166 M CA 1.873 57.034 55.300 -0.231 0.000 1.119 1166 M CB -0.591 31.926 32.600 -0.138 0.000 1.377 1166 M HN 0.506 nan 8.290 nan 0.000 0.415 1167 E N -0.455 119.593 120.200 -0.253 0.000 2.058 1167 E HA -0.234 3.885 4.350 -0.384 0.000 0.194 1167 E C 1.850 178.235 176.600 -0.359 0.000 0.997 1167 E CA 1.571 57.813 56.400 -0.264 0.000 0.801 1167 E CB -0.225 29.346 29.700 -0.214 0.000 0.746 1167 E HN 0.578 nan 8.360 nan 0.000 0.450 1168 A N 1.048 123.632 122.820 -0.392 0.000 1.883 1168 A HA -0.173 3.917 4.320 -0.384 0.000 0.217 1168 A C 2.253 179.617 177.584 -0.366 0.000 1.186 1168 A CA 1.434 53.257 52.037 -0.356 0.000 0.624 1168 A CB -0.723 18.089 19.000 -0.313 0.000 0.822 1168 A HN 0.331 nan 8.150 nan 0.000 0.444 1169 L N -0.812 120.162 121.223 -0.416 0.000 2.046 1169 L HA -0.173 3.936 4.340 -0.384 0.000 0.208 1169 L C 2.514 178.910 176.870 -0.789 0.000 1.077 1169 L CA 1.249 55.800 54.840 -0.481 0.000 0.747 1169 L CB -0.517 41.268 42.059 -0.458 0.000 0.896 1169 L HN 0.376 nan 8.230 nan 0.000 0.432 1170 I N -0.347 119.593 120.570 -1.050 0.000 2.113 1170 I HA -0.329 3.610 4.170 -0.384 0.000 0.238 1170 I C 2.487 177.897 176.117 -1.178 0.000 1.070 1170 I CA 1.524 62.077 61.300 -1.245 0.000 1.332 1170 I CB -0.201 37.265 38.000 -0.890 0.000 1.044 1170 I HN 0.164 nan 8.210 nan 0.000 0.402 1171 I N 0.103 120.225 120.570 -0.748 0.000 2.394 1171 I HA -0.257 3.682 4.170 -0.384 0.000 0.251 1171 I C 2.465 178.331 176.117 -0.418 0.000 1.136 1171 I CA 1.510 62.496 61.300 -0.523 0.000 1.425 1171 I CB -0.125 37.744 38.000 -0.218 0.000 1.079 1171 I HN 0.069 nan 8.210 nan 0.000 0.425 1172 S N 0.439 115.911 115.700 -0.380 0.000 2.419 1172 S HA -0.120 4.119 4.470 -0.384 0.000 0.233 1172 S C 1.858 176.311 174.600 -0.244 0.000 1.016 1172 S CA 0.909 58.960 58.200 -0.248 0.000 0.974 1172 S CB -0.250 62.835 63.200 -0.191 0.000 0.786 1172 S HN 0.369 nan 8.310 nan 0.000 0.492 1173 K N 0.351 120.501 120.400 -0.418 0.000 2.365 1173 K HA 0.187 4.276 4.320 -0.384 0.000 0.197 1173 K C -0.103 176.318 176.600 -0.298 0.000 1.042 1173 K CA 0.116 56.224 56.287 -0.299 0.000 0.987 1173 K CB -0.193 32.167 32.500 -0.234 0.000 0.779 1173 K HN 0.290 nan 8.250 nan 0.000 0.484 1174 F N 1.573 121.313 119.950 -0.350 0.000 2.459 1174 F HA 0.127 4.423 4.527 -0.384 0.000 0.346 1174 F C 0.945 176.712 175.800 -0.056 0.000 1.128 1174 F CA -0.875 57.000 58.000 -0.208 0.000 1.268 1174 F CB 0.165 38.958 39.000 -0.344 0.000 1.161 1174 F HN -0.074 nan 8.300 nan 0.000 0.583 1175 N N 2.261 121.109 118.700 0.246 0.000 2.675 1175 N HA 0.156 4.666 4.740 -0.384 0.000 0.254 1175 N C -1.655 173.728 175.510 -0.211 0.000 1.224 1175 N CA -0.243 52.835 53.050 0.047 0.000 0.777 1175 N CB 0.225 38.795 38.487 0.138 0.000 1.256 1175 N HN 0.680 nan 8.380 nan 0.000 0.531 1176 H N 1.859 120.672 119.070 -0.427 0.000 3.112 1176 H HA 0.096 4.421 4.556 -0.385 0.000 0.347 1176 H C 0.211 175.358 175.328 -0.302 0.000 1.188 1176 H CA -0.290 55.430 56.048 -0.547 0.000 1.240 1176 H CB 1.719 30.796 29.762 -1.141 0.000 1.920 1176 H HN 0.502 nan 8.280 nan 0.000 0.535 1177 Q N 2.687 122.086 119.800 -0.668 0.000 2.291 1177 Q HA -0.098 4.012 4.340 -0.384 0.000 0.206 1177 Q C -0.378 175.529 176.000 -0.155 0.000 0.976 1177 Q CA 1.638 57.229 55.803 -0.352 0.000 0.875 1177 Q CB -0.156 28.363 28.738 -0.365 0.000 0.927 1177 Q HN 0.504 nan 8.270 nan 0.000 0.450 1178 N N 0.225 118.948 118.700 0.039 0.000 2.273 1178 N HA 0.350 4.860 4.740 -0.384 0.000 0.231 1178 N C -0.785 174.749 175.510 0.039 0.000 1.134 1178 N CA -0.078 53.021 53.050 0.081 0.000 0.856 1178 N CB 0.759 39.323 38.487 0.128 0.000 1.068 1178 N HN 0.171 nan 8.380 nan 0.000 0.510 1179 I N 0.747 121.323 120.570 0.009 0.000 2.466 1179 I HA 0.240 4.179 4.170 -0.384 0.000 0.289 1179 I C -0.154 175.974 176.117 0.018 0.000 1.026 1179 I CA -1.166 60.131 61.300 -0.005 0.000 1.078 1179 I CB 2.186 40.118 38.000 -0.114 0.000 1.249 1179 I HN -0.226 nan 8.210 nan 0.000 0.429 1180 V N 6.878 126.829 119.914 0.062 0.000 2.584 1180 V HA -0.015 3.874 4.120 -0.384 0.000 0.303 1180 V C 0.840 176.954 176.094 0.035 0.000 1.035 1180 V CA 0.009 62.334 62.300 0.041 0.000 1.172 1180 V CB -0.262 31.598 31.823 0.060 0.000 0.896 1180 V HN 0.612 nan 8.190 nan 0.000 0.486 1181 R N 2.768 123.268 120.500 0.000 0.000 2.641 1181 R HA 0.243 4.353 4.340 -0.384 0.000 0.269 1181 R C -0.151 176.140 176.300 -0.015 0.000 1.074 1181 R CA -0.316 55.777 56.100 -0.012 0.000 1.133 1181 R CB 0.523 30.808 30.300 -0.025 0.000 1.029 1181 R HN 0.748 nan 8.270 nan 0.000 0.488 1182 C N 3.743 123.025 119.300 -0.031 0.000 2.255 1182 C HA 0.329 4.558 4.460 -0.384 0.000 0.326 1182 C C 1.833 176.803 174.990 -0.034 0.000 1.258 1182 C CA -0.622 58.370 59.018 -0.043 0.000 1.676 1182 C CB -1.069 26.623 27.740 -0.079 0.000 2.314 1182 C HN 0.820 nan 8.230 nan 0.000 0.509 1183 I N 4.531 125.086 120.570 -0.024 0.000 2.439 1183 I HA 0.266 4.205 4.170 -0.384 0.000 0.251 1183 I C 1.609 177.719 176.117 -0.012 0.000 1.139 1183 I CA 1.953 63.244 61.300 -0.015 0.000 1.438 1183 I CB -0.368 37.627 38.000 -0.008 0.000 1.085 1183 I HN 0.980 nan 8.210 nan 0.000 0.427 1184 G N -0.795 107.998 108.800 -0.012 0.000 2.333 1184 G HA2 0.449 4.178 3.960 -0.384 0.000 0.288 1184 G HA3 0.449 4.178 3.960 -0.384 0.000 0.288 1184 G C -1.558 173.347 174.900 0.007 0.000 1.286 1184 G CA -0.144 44.953 45.100 -0.005 0.000 0.865 1184 G HN 0.260 nan 8.290 nan 0.000 0.506 1185 V N -3.293 116.637 119.914 0.026 0.000 3.130 1185 V HA 0.941 4.830 4.120 -0.384 0.000 0.310 1185 V C -0.277 175.874 176.094 0.095 0.000 1.158 1185 V CA -0.237 62.099 62.300 0.061 0.000 1.029 1185 V CB 1.728 33.562 31.823 0.019 0.000 1.057 1185 V HN 1.756 nan 8.190 nan 0.000 0.436 1186 S N 1.407 117.196 115.700 0.149 0.000 2.395 1186 S HA 0.563 4.802 4.470 -0.384 0.000 0.207 1186 S C 0.119 174.740 174.600 0.035 0.000 1.454 1186 S CA -0.583 57.664 58.200 0.080 0.000 1.211 1186 S CB 0.182 63.439 63.200 0.095 0.000 1.093 1186 S HN 0.747 nan 8.310 nan 0.000 0.472 1187 L N 2.714 123.958 121.223 0.036 0.000 2.590 1187 L HA 0.250 4.360 4.340 -0.384 0.000 0.227 1187 L C 2.072 178.936 176.870 -0.011 0.000 1.099 1187 L CA 0.072 54.938 54.840 0.042 0.000 0.872 1187 L CB -0.016 42.084 42.059 0.068 0.000 1.088 1187 L HN 0.491 nan 8.230 nan 0.000 0.479 1188 Q N -0.313 119.470 119.800 -0.030 0.000 2.451 1188 Q HA 0.169 4.278 4.340 -0.384 0.000 0.206 1188 Q C 0.348 176.305 176.000 -0.071 0.000 0.947 1188 Q CA 0.244 56.023 55.803 -0.039 0.000 0.937 1188 Q CB 0.803 29.524 28.738 -0.028 0.000 1.025 1188 Q HN 0.270 nan 8.270 nan 0.000 0.511 1189 S N -0.288 115.342 115.700 -0.117 0.000 2.677 1189 S HA 0.657 4.897 4.470 -0.384 0.000 0.304 1189 S C -0.540 173.934 174.600 -0.211 0.000 1.108 1189 S CA -0.632 57.472 58.200 -0.160 0.000 0.944 1189 S CB 1.527 64.609 63.200 -0.196 0.000 1.127 1189 S HN 0.080 nan 8.310 nan 0.000 0.511 1190 L N 2.743 123.847 121.223 -0.198 0.000 2.346 1190 L HA 0.527 4.636 4.340 -0.384 0.000 0.276 1190 L C -2.137 174.601 176.870 -0.220 0.000 1.006 1190 L CA -1.941 52.782 54.840 -0.195 0.000 0.817 1190 L CB 1.577 43.563 42.059 -0.122 0.000 1.272 1190 L HN 0.439 nan 8.230 nan 0.000 0.421 1191 P HA 0.192 nan 4.420 nan 0.000 0.272 1191 P C -0.901 176.190 177.300 -0.349 0.000 1.223 1191 P CA -0.503 62.473 63.100 -0.206 0.000 0.784 1191 P CB 0.638 32.294 31.700 -0.074 0.000 0.923 1192 R N 1.250 121.610 120.500 -0.233 0.000 2.590 1192 R HA 0.323 4.432 4.340 -0.384 0.000 0.274 1192 R C -0.227 176.180 176.300 0.178 0.000 1.061 1192 R CA 0.129 56.159 56.100 -0.117 0.000 1.081 1192 R CB 0.036 30.316 30.300 -0.033 0.000 0.984 1192 R HN 0.379 nan 8.270 nan 0.000 0.448 1193 F N 2.210 122.287 119.950 0.212 0.000 2.522 1193 F HA 0.496 5.018 4.527 -0.008 0.000 0.324 1193 F C 0.480 176.433 175.800 0.256 0.000 1.077 1193 F CA -1.499 56.651 58.000 0.251 0.000 0.944 1193 F CB 1.053 40.121 39.000 0.114 0.000 1.175 1193 F HN 0.231 nan 8.300 nan 0.000 0.468 1194 I N 3.833 124.628 120.570 0.376 0.000 2.404 1194 I HA 0.345 4.285 4.170 -0.384 0.000 0.293 1194 I C -0.882 175.273 176.117 0.062 0.000 0.992 1194 I CA -0.604 60.739 61.300 0.071 0.000 1.149 1194 I CB 1.639 39.525 38.000 -0.191 0.000 1.315 1194 I HN 0.267 nan 8.210 nan 0.000 0.446 1195 L N 7.322 128.565 121.223 0.034 0.000 2.272 1195 L HA 0.570 4.680 4.340 -0.384 0.000 0.289 1195 L C -0.586 176.277 176.870 -0.011 0.000 1.032 1195 L CA -0.407 54.438 54.840 0.008 0.000 0.810 1195 L CB 0.853 42.925 42.059 0.021 0.000 1.205 1195 L HN 0.411 nan 8.230 nan 0.000 0.422 1196 L N 2.188 123.403 121.223 -0.013 0.000 2.341 1196 L HA 0.425 4.535 4.340 -0.384 0.000 0.267 1196 L C 0.233 177.096 176.870 -0.012 0.000 1.009 1196 L CA -0.805 54.028 54.840 -0.012 0.000 0.819 1196 L CB 2.324 44.381 42.059 -0.003 0.000 1.323 1196 L HN 0.574 nan 8.230 nan 0.000 0.425 1197 E N 1.608 121.801 120.200 -0.011 0.000 2.608 1197 E HA -0.046 4.073 4.350 -0.384 0.000 0.259 1197 E C -0.900 175.691 176.600 -0.014 0.000 0.951 1197 E CA -0.399 55.992 56.400 -0.015 0.000 0.945 1197 E CB 0.765 30.455 29.700 -0.017 0.000 0.916 1197 E HN 0.322 nan 8.360 nan 0.000 0.477 1198 L N 5.987 127.200 121.223 -0.016 0.000 2.313 1198 L HA 0.172 4.282 4.340 -0.384 0.000 0.282 1198 L C -0.679 176.179 176.870 -0.020 0.000 1.092 1198 L CA 0.257 55.087 54.840 -0.016 0.000 0.831 1198 L CB 0.888 42.938 42.059 -0.014 0.000 1.159 1198 L HN 0.598 nan 8.230 nan 0.000 0.442 1199 M N 5.868 125.455 119.600 -0.021 0.000 2.060 1199 M HA 0.312 4.562 4.480 -0.384 0.000 0.342 1199 M C 0.833 177.117 176.300 -0.025 0.000 1.031 1199 M CA -0.234 55.049 55.300 -0.030 0.000 0.981 1199 M CB 0.781 33.361 32.600 -0.033 0.000 1.376 1199 M HN 0.773 nan 8.290 nan 0.000 0.397 1200 A N 2.074 124.880 122.820 -0.024 0.000 2.167 1200 A HA 0.200 4.289 4.320 -0.384 0.000 0.214 1200 A C 1.803 179.386 177.584 -0.001 0.000 1.151 1200 A CA 1.442 53.473 52.037 -0.010 0.000 0.735 1200 A CB -0.400 18.596 19.000 -0.007 0.000 0.802 1200 A HN 0.872 nan 8.150 nan 0.000 0.467 1201 G N -1.085 107.703 108.800 -0.020 0.000 2.712 1201 G HA2 0.400 4.130 3.960 -0.384 0.000 0.212 1201 G HA3 0.400 4.130 3.960 -0.384 0.000 0.212 1201 G C 1.051 175.969 174.900 0.030 0.000 1.142 1201 G CA 0.612 45.709 45.100 -0.005 0.000 0.789 1201 G HN 1.514 nan 8.290 nan 0.000 0.535 1202 G N 0.557 109.361 108.800 0.006 0.000 2.698 1202 G HA2 -0.138 3.591 3.960 -0.384 0.000 0.233 1202 G HA3 -0.138 3.591 3.960 -0.384 0.000 0.233 1202 G C -0.139 174.771 174.900 0.015 0.000 1.352 1202 G CA 0.082 45.193 45.100 0.019 0.000 0.879 1202 G HN 1.009 nan 8.290 nan 0.000 0.567 1203 D N -0.805 119.615 120.400 0.033 0.000 2.339 1203 D HA 0.415 4.824 4.640 -0.384 0.000 0.245 1203 D C 1.559 177.903 176.300 0.073 0.000 1.115 1203 D CA -0.107 53.910 54.000 0.029 0.000 0.917 1203 D CB 0.937 41.752 40.800 0.025 0.000 1.192 1203 D HN 0.762 nan 8.370 nan 0.000 0.428 1204 L N 1.763 123.017 121.223 0.052 0.000 2.056 1204 L HA -0.043 4.066 4.340 -0.384 0.000 0.207 1204 L C 2.068 179.040 176.870 0.170 0.000 1.078 1204 L CA 1.727 56.622 54.840 0.091 0.000 0.749 1204 L CB -0.924 41.158 42.059 0.039 0.000 0.901 1204 L HN 0.698 nan 8.230 nan 0.000 0.433 1205 K N -0.913 119.564 120.400 0.129 0.000 2.009 1205 K HA -0.162 3.928 4.320 -0.384 0.000 0.210 1205 K C 2.096 178.777 176.600 0.135 0.000 1.049 1205 K CA 1.789 58.162 56.287 0.144 0.000 0.929 1205 K CB -0.182 32.400 32.500 0.137 0.000 0.714 1205 K HN 0.380 nan 8.250 nan 0.000 0.440 1206 S N 0.525 116.296 115.700 0.119 0.000 2.370 1206 S HA -0.172 4.067 4.470 -0.384 0.000 0.226 1206 S C 1.543 176.204 174.600 0.101 0.000 1.033 1206 S CA 1.501 59.758 58.200 0.095 0.000 1.011 1206 S CB -0.475 62.773 63.200 0.080 0.000 0.852 1206 S HN 0.432 nan 8.310 nan 0.000 0.457 1207 F N 2.308 122.264 119.950 0.009 0.000 2.095 1207 F HA -0.132 4.165 4.527 -0.384 0.000 0.298 1207 F C 1.817 177.614 175.800 -0.005 0.000 1.104 1207 F CA 1.360 59.359 58.000 -0.002 0.000 1.232 1207 F CB -0.419 38.577 39.000 -0.008 0.000 0.987 1207 F HN 0.095 nan 8.300 nan 0.000 0.475 1208 L N 0.109 121.369 121.223 0.062 0.000 2.017 1208 L HA -0.223 3.887 4.340 -0.384 0.000 0.208 1208 L C 2.734 179.526 176.870 -0.130 0.000 1.073 1208 L CA 1.595 56.394 54.840 -0.070 0.000 0.745 1208 L CB -0.734 41.362 42.059 0.062 0.000 0.894 1208 L HN 0.072 nan 8.230 nan 0.000 0.432 1209 R N 0.094 120.574 120.500 -0.033 0.000 2.091 1209 R HA -0.182 3.928 4.340 -0.384 0.000 0.238 1209 R C 2.123 178.376 176.300 -0.078 0.000 1.136 1209 R CA 1.620 57.713 56.100 -0.012 0.000 0.959 1209 R CB -0.332 29.991 30.300 0.040 0.000 0.856 1209 R HN 0.489 nan 8.270 nan 0.000 0.437 1210 E N -0.645 119.478 120.200 -0.127 0.000 2.274 1210 E HA -0.058 4.062 4.350 -0.384 0.000 0.194 1210 E C 0.820 177.285 176.600 -0.225 0.000 0.996 1210 E CA 1.093 57.406 56.400 -0.144 0.000 0.840 1210 E CB 0.315 29.945 29.700 -0.118 0.000 0.772 1210 E HN 0.256 nan 8.360 nan 0.000 0.491 1211 T N 0.872 115.196 114.554 -0.383 0.000 3.085 1211 T HA 0.092 4.212 4.350 -0.384 0.000 0.264 1211 T C 0.200 174.717 174.700 -0.305 0.000 1.019 1211 T CA -0.386 61.445 62.100 -0.448 0.000 0.910 1211 T CB 0.075 68.370 68.868 -0.955 0.000 1.059 1211 T HN 0.142 nan 8.240 nan 0.000 0.542 1212 R N 1.666 122.037 120.500 -0.216 0.000 2.643 1212 R HA 0.362 4.471 4.340 -0.384 0.000 0.270 1212 R C -3.071 173.167 176.300 -0.104 0.000 1.061 1212 R CA -1.702 54.312 56.100 -0.144 0.000 1.107 1212 R CB -0.849 29.394 30.300 -0.096 0.000 0.999 1212 R HN -0.069 nan 8.270 nan 0.000 0.460 1213 P HA 0.022 nan 4.420 nan 0.000 0.265 1213 P C -0.798 176.479 177.300 -0.037 0.000 1.193 1213 P CA 0.259 63.324 63.100 -0.058 0.000 0.765 1213 P CB 0.593 32.264 31.700 -0.049 0.000 0.823 1214 R N 3.767 124.247 120.500 -0.035 0.000 2.781 1214 R HA 0.319 4.428 4.340 -0.384 0.000 0.269 1214 R C -2.012 174.274 176.300 -0.023 0.000 1.025 1214 R CA -1.790 54.294 56.100 -0.026 0.000 0.914 1214 R CB 0.749 31.020 30.300 -0.050 0.000 1.236 1214 R HN 0.125 nan 8.270 nan 0.000 0.465 1215 P HA -0.203 nan 4.420 nan 0.000 0.218 1215 P C 1.071 178.352 177.300 -0.031 0.000 1.148 1215 P CA 1.558 64.648 63.100 -0.016 0.000 0.822 1215 P CB 0.195 31.882 31.700 -0.022 0.000 0.784 1216 S N -1.926 113.745 115.700 -0.049 0.000 2.447 1216 S HA -0.094 4.145 4.470 -0.384 0.000 0.233 1216 S C 1.010 175.588 174.600 -0.036 0.000 1.006 1216 S CA 0.750 58.924 58.200 -0.044 0.000 0.957 1216 S CB -0.682 62.485 63.200 -0.054 0.000 0.773 1216 S HN 0.180 nan 8.310 nan 0.000 0.507 1217 Q N 0.857 120.634 119.800 -0.038 0.000 3.484 1217 Q HA 0.314 4.423 4.340 -0.384 0.000 0.255 1217 Q C -2.377 173.602 176.000 -0.034 0.000 0.909 1217 Q CA -1.514 54.268 55.803 -0.036 0.000 0.774 1217 Q CB 2.152 30.862 28.738 -0.047 0.000 1.431 1217 Q HN 0.287 nan 8.270 nan 0.000 0.423 1218 P HA -0.114 nan 4.420 nan 0.000 0.223 1218 P C 0.393 177.680 177.300 -0.022 0.000 1.151 1218 P CA 0.957 64.046 63.100 -0.018 0.000 0.787 1218 P CB 0.401 32.095 31.700 -0.009 0.000 0.788 1219 S N -1.707 113.978 115.700 -0.024 0.000 2.558 1219 S HA 0.236 4.475 4.470 -0.384 0.000 0.238 1219 S C 1.178 175.762 174.600 -0.027 0.000 1.183 1219 S CA -0.225 57.960 58.200 -0.024 0.000 1.185 1219 S CB -0.596 62.593 63.200 -0.017 0.000 1.003 1219 S HN 0.083 nan 8.310 nan 0.000 0.478 1220 S N 1.398 117.074 115.700 -0.040 0.000 2.406 1220 S HA 0.228 4.468 4.470 -0.384 0.000 0.228 1220 S C 0.489 175.065 174.600 -0.040 0.000 1.020 1220 S CA 0.139 58.311 58.200 -0.046 0.000 0.965 1220 S CB -0.476 62.677 63.200 -0.078 0.000 0.798 1220 S HN 0.616 nan 8.310 nan 0.000 0.488 1221 L N 0.486 121.678 121.223 -0.051 0.000 2.409 1221 L HA 0.807 4.916 4.340 -0.384 0.000 0.262 1221 L C -0.376 176.463 176.870 -0.052 0.000 0.992 1221 L CA -0.805 54.009 54.840 -0.043 0.000 0.817 1221 L CB 2.126 44.145 42.059 -0.068 0.000 1.350 1221 L HN 0.231 nan 8.230 nan 0.000 0.411 1222 A N 1.597 124.386 122.820 -0.052 0.000 2.387 1222 A HA 0.626 4.715 4.320 -0.384 0.000 0.303 1222 A C 0.663 178.198 177.584 -0.081 0.000 1.145 1222 A CA -0.655 51.347 52.037 -0.058 0.000 0.801 1222 A CB 1.558 20.530 19.000 -0.047 0.000 1.342 1222 A HN 0.746 nan 8.150 nan 0.000 0.440 1223 M N -0.084 119.482 119.600 -0.057 0.000 2.106 1223 M HA -0.157 4.093 4.480 -0.384 0.000 0.259 1223 M C 1.849 178.109 176.300 -0.066 0.000 1.068 1223 M CA 1.600 56.884 55.300 -0.026 0.000 1.100 1223 M CB -1.228 31.399 32.600 0.046 0.000 1.351 1223 M HN 0.753 nan 8.290 nan 0.000 0.404 1224 L N 0.868 122.019 121.223 -0.119 0.000 2.131 1224 L HA -0.191 3.918 4.340 -0.384 0.000 0.210 1224 L C 1.873 178.494 176.870 -0.414 0.000 1.092 1224 L CA 1.849 56.525 54.840 -0.274 0.000 0.759 1224 L CB -0.807 41.083 42.059 -0.281 0.000 0.903 1224 L HN 0.263 nan 8.230 nan 0.000 0.435 1225 D N -0.562 119.704 120.400 -0.224 0.000 2.123 1225 D HA -0.215 4.195 4.640 -0.384 0.000 0.196 1225 D C 2.226 178.463 176.300 -0.106 0.000 0.992 1225 D CA 1.729 55.658 54.000 -0.119 0.000 0.833 1225 D CB -0.046 40.737 40.800 -0.028 0.000 0.954 1225 D HN 0.399 nan 8.370 nan 0.000 0.455 1226 L N 0.334 121.443 121.223 -0.190 0.000 2.109 1226 L HA -0.073 4.036 4.340 -0.384 0.000 0.207 1226 L C 2.652 179.439 176.870 -0.139 0.000 1.086 1226 L CA 0.392 55.040 54.840 -0.320 0.000 0.760 1226 L CB -0.340 41.224 42.059 -0.825 0.000 0.910 1226 L HN -0.002 nan 8.230 nan 0.000 0.437 1227 L N -0.852 120.371 121.223 -0.000 0.000 2.083 1227 L HA -0.233 3.876 4.340 -0.384 0.000 0.209 1227 L C 2.540 179.529 176.870 0.198 0.000 1.083 1227 L CA 1.369 56.315 54.840 0.178 0.000 0.752 1227 L CB -0.639 41.502 42.059 0.136 0.000 0.899 1227 L HN 0.339 nan 8.230 nan 0.000 0.433 1228 H N -1.628 117.480 119.070 0.064 0.000 2.389 1228 H HA -0.135 4.191 4.556 -0.384 0.000 0.299 1228 H C 2.342 177.695 175.328 0.041 0.000 1.081 1228 H CA 0.963 57.039 56.048 0.046 0.000 1.345 1228 H CB 0.188 29.960 29.762 0.017 0.000 1.393 1228 H HN 0.080 nan 8.280 nan 0.000 0.520 1229 V N 1.065 121.066 119.914 0.144 0.000 2.343 1229 V HA -0.295 3.594 4.120 -0.384 0.000 0.247 1229 V C 2.673 178.852 176.094 0.142 0.000 1.051 1229 V CA 1.691 64.039 62.300 0.078 0.000 1.036 1229 V CB -0.825 31.004 31.823 0.010 0.000 0.654 1229 V HN 0.536 nan 8.190 nan 0.000 0.451 1230 A N 0.064 123.001 122.820 0.195 0.000 1.877 1230 A HA -0.264 3.826 4.320 -0.384 0.000 0.216 1230 A C 2.406 180.220 177.584 0.383 0.000 1.186 1230 A CA 2.086 54.322 52.037 0.331 0.000 0.620 1230 A CB -0.599 18.637 19.000 0.394 0.000 0.822 1230 A HN 0.509 nan 8.150 nan 0.000 0.443 1231 R N -0.301 120.362 120.500 0.271 0.000 2.083 1231 R HA -0.202 3.907 4.340 -0.384 0.000 0.237 1231 R C 1.523 177.908 176.300 0.141 0.000 1.137 1231 R CA 2.056 58.273 56.100 0.196 0.000 0.951 1231 R CB -0.458 29.944 30.300 0.171 0.000 0.851 1231 R HN 0.440 nan 8.270 nan 0.000 0.434 1232 D N 0.515 120.989 120.400 0.123 0.000 2.092 1232 D HA -0.178 4.232 4.640 -0.384 0.000 0.193 1232 D C 1.899 178.248 176.300 0.082 0.000 0.994 1232 D CA 1.327 55.373 54.000 0.076 0.000 0.828 1232 D CB -0.151 40.676 40.800 0.044 0.000 0.963 1232 D HN 0.235 nan 8.370 nan 0.000 0.450 1233 I N 0.909 121.559 120.570 0.134 0.000 2.353 1233 I HA -0.117 3.823 4.170 -0.384 0.000 0.248 1233 I C 2.426 178.587 176.117 0.073 0.000 1.119 1233 I CA 0.564 61.943 61.300 0.132 0.000 1.417 1233 I CB -1.359 36.784 38.000 0.238 0.000 1.078 1233 I HN -0.119 nan 8.210 nan 0.000 0.421 1234 A N -0.053 122.830 122.820 0.104 0.000 1.940 1234 A HA -0.276 3.814 4.320 -0.384 0.000 0.219 1234 A C 2.645 180.124 177.584 -0.175 0.000 1.176 1234 A CA 1.850 53.756 52.037 -0.218 0.000 0.631 1234 A CB -1.286 17.587 19.000 -0.211 0.000 0.814 1234 A HN 0.533 nan 8.150 nan 0.000 0.446 1235 C N -0.725 118.548 119.300 -0.044 0.000 2.429 1235 C HA 0.047 4.277 4.460 -0.384 0.000 0.277 1235 C C 2.963 177.862 174.990 -0.152 0.000 1.262 1235 C CA 1.061 60.072 59.018 -0.011 0.000 1.733 1235 C CB -1.567 26.240 27.740 0.111 0.000 2.010 1235 C HN 0.631 nan 8.230 nan 0.000 0.483 1236 G N -0.698 108.011 108.800 -0.152 0.000 2.440 1236 G HA2 -0.267 3.462 3.960 -0.384 0.000 0.218 1236 G HA3 -0.267 3.462 3.960 -0.384 0.000 0.218 1236 G C 1.670 176.374 174.900 -0.328 0.000 1.154 1236 G CA 1.421 46.354 45.100 -0.278 0.000 0.767 1236 G HN 0.611 nan 8.290 nan 0.000 0.552 1237 C N -0.225 118.805 119.300 -0.450 0.000 2.440 1237 C HA 0.016 4.245 4.460 -0.384 0.000 0.278 1237 C C 2.752 177.316 174.990 -0.710 0.000 1.295 1237 C CA 1.016 59.576 59.018 -0.764 0.000 1.738 1237 C CB -0.729 26.052 27.740 -1.598 0.000 1.987 1237 C HN 0.629 nan 8.230 nan 0.000 0.492 1238 Q N -0.416 119.084 119.800 -0.501 0.000 2.084 1238 Q HA -0.260 3.849 4.340 -0.384 0.000 0.202 1238 Q C 2.079 178.013 176.000 -0.110 0.000 0.978 1238 Q CA 1.917 57.623 55.803 -0.162 0.000 0.844 1238 Q CB -0.362 28.357 28.738 -0.032 0.000 0.898 1238 Q HN 0.806 nan 8.270 nan 0.000 0.426 1239 Y N 0.816 120.925 120.300 -0.318 0.000 2.145 1239 Y HA -0.222 4.097 4.550 -0.385 0.000 0.286 1239 Y C 1.782 177.605 175.900 -0.129 0.000 1.145 1239 Y CA 1.660 59.591 58.100 -0.281 0.000 1.148 1239 Y CB -0.243 37.828 38.460 -0.648 0.000 0.981 1239 Y HN 0.094 nan 8.280 nan 0.000 0.507 1240 L N 0.286 121.425 121.223 -0.140 0.000 2.012 1240 L HA -0.236 3.874 4.340 -0.384 0.000 0.210 1240 L C 2.609 179.497 176.870 0.030 0.000 1.073 1240 L CA 2.078 56.910 54.840 -0.013 0.000 0.748 1240 L CB -0.759 41.379 42.059 0.130 0.000 0.891 1240 L HN 0.354 nan 8.230 nan 0.000 0.431 1241 E N 0.864 121.055 120.200 -0.015 0.000 2.051 1241 E HA -0.280 3.839 4.350 -0.384 0.000 0.192 1241 E C 2.005 178.537 176.600 -0.113 0.000 0.991 1241 E CA 1.644 58.071 56.400 0.045 0.000 0.799 1241 E CB 0.012 29.805 29.700 0.155 0.000 0.748 1241 E HN 0.651 nan 8.360 nan 0.000 0.449 1242 E N -0.330 119.762 120.200 -0.180 0.000 2.268 1242 E HA -0.141 3.978 4.350 -0.384 0.000 0.195 1242 E C 1.174 177.437 176.600 -0.561 0.000 0.995 1242 E CA 0.842 57.070 56.400 -0.288 0.000 0.836 1242 E CB -0.094 29.513 29.700 -0.155 0.000 0.763 1242 E HN 0.174 nan 8.360 nan 0.000 0.491 1243 N N 0.349 118.758 118.700 -0.485 0.000 2.235 1243 N HA 0.030 4.539 4.740 -0.384 0.000 0.209 1243 N C -0.780 174.588 175.510 -0.237 0.000 1.122 1243 N CA 0.305 53.075 53.050 -0.467 0.000 0.845 1243 N CB 0.192 38.434 38.487 -0.408 0.000 1.004 1243 N HN 0.304 nan 8.380 nan 0.000 0.499 1244 H N -1.198 117.914 119.070 0.069 0.000 2.862 1244 H HA -0.196 4.129 4.556 -0.385 0.000 0.290 1244 H C -0.666 174.793 175.328 0.219 0.000 1.211 1244 H CA 0.376 56.489 56.048 0.108 0.000 1.140 1244 H CB -2.179 27.602 29.762 0.032 0.000 1.341 1244 H HN 0.258 nan 8.280 nan 0.000 0.392 1245 F N 1.323 121.419 119.950 0.243 0.000 2.411 1245 F HA 0.466 4.763 4.527 -0.384 0.000 0.352 1245 F C -0.062 175.909 175.800 0.285 0.000 1.123 1245 F CA -1.029 57.178 58.000 0.345 0.000 1.044 1245 F CB 0.577 39.890 39.000 0.522 0.000 1.135 1245 F HN 0.041 nan 8.300 nan 0.000 0.461 1246 I N 6.996 127.456 120.570 -0.185 0.000 2.304 1246 I HA 0.098 4.037 4.170 -0.384 0.000 0.291 1246 I C 1.083 177.166 176.117 -0.058 0.000 1.018 1246 I CA -0.385 60.922 61.300 0.012 0.000 1.260 1246 I CB 1.128 39.148 38.000 0.034 0.000 1.390 1246 I HN 0.742 nan 8.210 nan 0.000 0.475 1247 H N 7.449 126.647 119.070 0.214 0.000 2.343 1247 H HA 0.025 4.350 4.556 -0.385 0.000 0.303 1247 H C 1.062 176.492 175.328 0.170 0.000 1.068 1247 H CA 1.606 57.855 56.048 0.334 0.000 1.359 1247 H CB 0.463 30.422 29.762 0.327 0.000 1.402 1247 H HN 0.634 nan 8.280 nan 0.000 0.515 1248 R N -0.681 120.001 120.500 0.304 0.000 3.840 1248 R HA -0.171 3.938 4.340 -0.384 0.000 0.464 1248 R C -0.551 175.911 176.300 0.270 0.000 0.986 1248 R CA 1.203 57.431 56.100 0.215 0.000 1.305 1248 R CB -1.444 28.806 30.300 -0.083 0.000 1.950 1248 R HN 0.337 nan 8.270 nan 0.000 0.526 1249 D N 0.196 120.865 120.400 0.448 0.000 3.256 1249 D HA 0.164 4.573 4.640 -0.384 0.000 0.332 1249 D C -0.647 175.776 176.300 0.205 0.000 1.327 1249 D CA -0.293 53.875 54.000 0.280 0.000 0.735 1249 D CB 0.296 41.170 40.800 0.124 0.000 1.280 1249 D HN 0.042 nan 8.370 nan 0.000 0.572 1250 I N 2.053 122.737 120.570 0.190 0.000 2.494 1250 I HA 0.508 4.448 4.170 -0.384 0.000 0.289 1250 I C 0.571 176.715 176.117 0.045 0.000 1.106 1250 I CA -0.010 61.289 61.300 -0.001 0.000 1.369 1250 I CB -0.120 37.980 38.000 0.167 0.000 1.410 1250 I HN 0.273 nan 8.210 nan 0.000 0.523 1251 A N 5.094 127.846 122.820 -0.113 0.000 2.608 1251 A HA 0.697 4.786 4.320 -0.384 0.000 0.292 1251 A C 0.511 178.064 177.584 -0.052 0.000 1.066 1251 A CA -0.011 51.926 52.037 -0.165 0.000 0.676 1251 A CB 0.846 19.284 19.000 -0.937 0.000 1.277 1251 A HN 0.641 nan 8.150 nan 0.000 0.413 1252 A N 0.834 123.716 122.820 0.102 0.000 1.933 1252 A HA -0.138 3.951 4.320 -0.384 0.000 0.218 1252 A C 1.937 179.537 177.584 0.025 0.000 1.175 1252 A CA 1.959 54.051 52.037 0.091 0.000 0.628 1252 A CB -0.599 18.507 19.000 0.178 0.000 0.814 1252 A HN 1.082 nan 8.150 nan 0.000 0.444 1253 R N -0.747 119.745 120.500 -0.013 0.000 2.193 1253 R HA -0.033 4.076 4.340 -0.384 0.000 0.229 1253 R C 0.593 176.856 176.300 -0.060 0.000 1.110 1253 R CA 1.546 57.629 56.100 -0.029 0.000 0.988 1253 R CB -0.456 29.809 30.300 -0.059 0.000 0.871 1253 R HN 0.334 nan 8.270 nan 0.000 0.458 1254 N N -0.032 118.608 118.700 -0.100 0.000 2.280 1254 N HA 0.090 4.599 4.740 -0.384 0.000 0.192 1254 N C -0.587 174.849 175.510 -0.124 0.000 1.109 1254 N CA 0.049 53.030 53.050 -0.115 0.000 0.855 1254 N CB 0.392 38.794 38.487 -0.140 0.000 0.974 1254 N HN 0.168 nan 8.380 nan 0.000 0.482 1255 C N 0.778 120.027 119.300 -0.086 0.000 2.397 1255 C HA 0.637 4.866 4.460 -0.384 0.000 0.343 1255 C C 0.296 175.253 174.990 -0.055 0.000 1.188 1255 C CA -0.906 58.065 59.018 -0.078 0.000 1.992 1255 C CB 0.854 28.561 27.740 -0.055 0.000 2.358 1255 C HN 0.159 nan 8.230 nan 0.000 0.518 1256 L N 1.859 123.045 121.223 -0.062 0.000 2.354 1256 L HA 0.684 4.793 4.340 -0.384 0.000 0.264 1256 L C -0.847 175.966 176.870 -0.095 0.000 1.008 1256 L CA -0.520 54.283 54.840 -0.061 0.000 0.819 1256 L CB 1.321 43.353 42.059 -0.044 0.000 1.339 1256 L HN 0.459 nan 8.230 nan 0.000 0.420 1257 L N 0.233 121.380 121.223 -0.127 0.000 2.334 1257 L HA 0.395 4.505 4.340 -0.384 0.000 0.276 1257 L C 1.231 178.025 176.870 -0.126 0.000 1.014 1257 L CA -0.430 54.299 54.840 -0.184 0.000 0.815 1257 L CB 2.006 43.844 42.059 -0.368 0.000 1.268 1257 L HN 0.780 nan 8.230 nan 0.000 0.428 1258 T N -2.434 112.053 114.554 -0.112 0.000 2.833 1258 T HA -0.066 4.053 4.350 -0.384 0.000 0.269 1258 T C 0.591 175.253 174.700 -0.063 0.000 1.054 1258 T CA 0.644 62.699 62.100 -0.075 0.000 1.135 1258 T CB -0.421 68.407 68.868 -0.067 0.000 0.869 1258 T HN 0.733 nan 8.240 nan 0.000 0.466 1259 C N -1.540 117.712 119.300 -0.080 0.000 3.306 1259 C HA 0.645 4.874 4.460 -0.384 0.000 0.335 1259 C C -2.279 172.683 174.990 -0.046 0.000 1.382 1259 C CA -1.294 57.698 59.018 -0.044 0.000 1.254 1259 C CB 1.322 29.047 27.740 -0.025 0.000 1.555 1259 C HN 0.026 nan 8.230 nan 0.000 0.463 1260 P HA 0.165 nan 4.420 nan 0.000 0.221 1260 P C 0.840 178.248 177.300 0.181 0.000 1.155 1260 P CA 1.676 64.879 63.100 0.172 0.000 0.812 1260 P CB 0.032 31.842 31.700 0.183 0.000 0.801 1261 G N 0.732 109.583 108.800 0.085 0.000 2.532 1261 G HA2 0.434 4.164 3.960 -0.384 0.000 0.291 1261 G HA3 0.434 4.164 3.960 -0.384 0.000 0.291 1261 G C -2.650 172.281 174.900 0.051 0.000 1.349 1261 G CA -1.501 43.644 45.100 0.076 0.000 1.038 1261 G HN -0.026 nan 8.290 nan 0.000 0.518 1262 P HA 0.213 nan 4.420 nan 0.000 0.266 1262 P C 0.786 178.097 177.300 0.018 0.000 1.195 1262 P CA 1.541 64.665 63.100 0.039 0.000 0.768 1262 P CB 0.847 32.568 31.700 0.035 0.000 0.838 1263 G N 1.623 110.433 108.800 0.017 0.000 2.157 1263 G HA2 -0.260 3.470 3.960 -0.384 0.000 0.248 1263 G HA3 -0.260 3.470 3.960 -0.384 0.000 0.248 1263 G C 0.245 175.126 174.900 -0.032 0.000 0.979 1263 G CA 0.068 45.162 45.100 -0.010 0.000 0.650 1263 G HN 0.830 nan 8.290 nan 0.000 0.529 1264 R N -0.380 120.098 120.500 -0.038 0.000 2.679 1264 R HA 0.489 4.599 4.340 -0.384 0.000 0.268 1264 R C -0.566 175.682 176.300 -0.085 0.000 1.044 1264 R CA -0.063 55.986 56.100 -0.085 0.000 1.105 1264 R CB 0.944 31.150 30.300 -0.158 0.000 0.989 1264 R HN 0.246 nan 8.270 nan 0.000 0.447 1265 V N 1.859 121.716 119.914 -0.096 0.000 2.540 1265 V HA 0.527 4.416 4.120 -0.384 0.000 0.302 1265 V C 0.028 176.065 176.094 -0.095 0.000 1.035 1265 V CA -0.841 61.409 62.300 -0.083 0.000 0.873 1265 V CB 1.575 33.354 31.823 -0.073 0.000 0.992 1265 V HN 1.007 nan 8.190 nan 0.000 0.428 1266 A N 5.335 128.109 122.820 -0.077 0.000 2.310 1266 A HA 0.829 4.919 4.320 -0.384 0.000 0.299 1266 A C -0.175 177.382 177.584 -0.045 0.000 1.147 1266 A CA -0.460 51.533 52.037 -0.074 0.000 0.818 1266 A CB 0.619 19.587 19.000 -0.054 0.000 1.096 1266 A HN 0.831 nan 8.150 nan 0.000 0.495 1267 K N 1.561 121.930 120.400 -0.051 0.000 2.508 1267 K HA 0.489 4.578 4.320 -0.384 0.000 0.260 1267 K C -1.336 175.227 176.600 -0.062 0.000 0.949 1267 K CA -0.613 55.650 56.287 -0.041 0.000 0.834 1267 K CB 2.241 34.721 32.500 -0.032 0.000 1.365 1267 K HN 0.635 nan 8.250 nan 0.000 0.437 1268 I N 1.285 121.807 120.570 -0.080 0.000 2.471 1268 I HA 0.092 4.032 4.170 -0.384 0.000 0.286 1268 I C 1.099 177.144 176.117 -0.121 0.000 1.079 1268 I CA 0.410 61.603 61.300 -0.177 0.000 1.398 1268 I CB 0.907 38.749 38.000 -0.263 0.000 1.403 1268 I HN 0.968 nan 8.210 nan 0.000 0.530 1269 G N 4.044 112.743 108.800 -0.169 0.000 2.815 1269 G HA2 0.049 3.779 3.960 -0.384 0.000 0.215 1269 G HA3 0.049 3.779 3.960 -0.384 0.000 0.215 1269 G C -0.207 174.668 174.900 -0.042 0.000 1.054 1269 G CA 0.009 45.086 45.100 -0.037 0.000 0.832 1269 G HN 0.607 nan 8.290 nan 0.000 0.557 1270 D N -1.018 119.240 120.400 -0.236 0.000 2.498 1270 D HA 0.587 4.996 4.640 -0.384 0.000 0.247 1270 D C -0.822 175.268 176.300 -0.350 0.000 1.070 1270 D CA -0.787 53.133 54.000 -0.133 0.000 0.842 1270 D CB 1.498 42.258 40.800 -0.068 0.000 1.361 1270 D HN -0.060 nan 8.370 nan 0.000 0.484 1271 F N 1.921 121.921 119.950 0.083 0.000 2.810 1271 F HA 0.332 4.627 4.527 -0.386 0.000 0.353 1271 F C 1.600 177.382 175.800 -0.029 0.000 1.227 1271 F CA -0.658 57.353 58.000 0.017 0.000 1.210 1271 F CB 1.289 40.348 39.000 0.098 0.000 1.039 1271 F HN 0.558 nan 8.300 nan 0.000 0.509 1272 G N 0.153 108.995 108.800 0.069 0.000 2.403 1272 G HA2 -0.239 3.491 3.960 -0.384 0.000 0.216 1272 G HA3 -0.239 3.491 3.960 -0.384 0.000 0.216 1272 G C 1.643 176.557 174.900 0.023 0.000 1.154 1272 G CA 0.742 45.873 45.100 0.052 0.000 0.784 1272 G HN 0.245 nan 8.290 nan 0.000 0.538 1273 M N 1.819 121.406 119.600 -0.023 0.000 2.086 1273 M HA 0.212 4.461 4.480 -0.384 0.000 0.261 1273 M C 2.675 178.941 176.300 -0.055 0.000 1.067 1273 M CA 1.601 56.873 55.300 -0.047 0.000 1.116 1273 M CB -0.667 31.894 32.600 -0.066 0.000 1.348 1273 M HN 0.202 nan 8.290 nan 0.000 0.407 1274 A N -0.134 122.655 122.820 -0.052 0.000 1.940 1274 A HA -0.219 3.870 4.320 -0.384 0.000 0.219 1274 A C 2.368 180.014 177.584 0.104 0.000 1.176 1274 A CA 2.084 54.123 52.037 0.003 0.000 0.631 1274 A CB -0.852 18.232 19.000 0.141 0.000 0.814 1274 A HN 0.636 nan 8.150 nan 0.000 0.446 1275 R N -0.412 120.154 120.500 0.110 0.000 2.075 1275 R HA -0.150 3.960 4.340 -0.384 0.000 0.232 1275 R C 1.313 177.672 176.300 0.100 0.000 1.126 1275 R CA 1.771 57.925 56.100 0.090 0.000 0.963 1275 R CB -0.305 30.021 30.300 0.044 0.000 0.858 1275 R HN 0.447 nan 8.270 nan 0.000 0.435 1276 D N 0.549 120.984 120.400 0.059 0.000 2.117 1276 D HA -0.132 4.278 4.640 -0.384 0.000 0.198 1276 D C 1.915 178.236 176.300 0.036 0.000 0.982 1276 D CA 0.940 54.966 54.000 0.044 0.000 0.828 1276 D CB -0.022 40.789 40.800 0.018 0.000 0.967 1276 D HN 0.218 nan 8.370 nan 0.000 0.464 1277 I N 0.344 120.916 120.570 0.003 0.000 2.252 1277 I HA -0.178 3.761 4.170 -0.384 0.000 0.245 1277 I C 1.527 177.653 176.117 0.015 0.000 1.102 1277 I CA 0.348 61.626 61.300 -0.038 0.000 1.385 1277 I CB -1.275 36.642 38.000 -0.138 0.000 1.064 1277 I HN 0.017 nan 8.210 nan 0.000 0.414 1290 M N 0.877 120.518 119.600 0.068 0.000 2.428 1290 M HA 0.343 4.593 4.480 -0.384 0.000 0.239 1290 M C -0.013 176.341 176.300 0.091 0.000 1.121 1290 M CA 0.397 55.740 55.300 0.072 0.000 1.019 1290 M CB 0.296 32.929 32.600 0.054 0.000 1.485 1290 M HN 0.277 nan 8.290 nan 0.000 0.484 1291 L N 3.229 124.520 121.223 0.112 0.000 2.426 1291 L HA 0.140 4.250 4.340 -0.384 0.000 0.271 1291 L C -1.524 175.466 176.870 0.201 0.000 1.169 1291 L CA -1.108 53.821 54.840 0.148 0.000 0.836 1291 L CB 0.515 42.678 42.059 0.173 0.000 1.112 1291 L HN -0.054 nan 8.230 nan 0.000 0.465 1292 P HA 0.051 nan 4.420 nan 0.000 0.220 1292 P C 1.048 178.649 177.300 0.502 0.000 1.806 1292 P CA -0.139 63.164 63.100 0.338 0.000 0.976 1292 P CB 0.291 32.109 31.700 0.197 0.000 1.952 1293 V N 1.743 121.910 119.914 0.421 0.000 2.324 1293 V HA -0.271 3.619 4.120 -0.384 0.000 0.250 1293 V C 2.311 178.663 176.094 0.431 0.000 1.060 1293 V CA 1.937 64.513 62.300 0.459 0.000 1.042 1293 V CB -0.901 31.078 31.823 0.259 0.000 0.650 1293 V HN 0.364 nan 8.190 nan 0.000 0.450 1294 K N -1.465 119.139 120.400 0.341 0.000 2.515 1294 K HA -0.115 3.974 4.320 -0.384 0.000 0.196 1294 K C 1.469 178.071 176.600 0.003 0.000 1.038 1294 K CA 0.918 57.219 56.287 0.024 0.000 0.967 1294 K CB -0.068 32.252 32.500 -0.300 0.000 0.780 1294 K HN 0.592 nan 8.250 nan 0.000 0.483 1295 W N 0.182 121.673 121.300 0.319 0.000 3.005 1295 W HA 0.281 4.712 4.660 -0.382 0.000 0.374 1295 W C -0.013 176.716 176.519 0.349 0.000 1.076 1295 W CA -0.444 57.128 57.345 0.378 0.000 1.794 1295 W CB 0.249 29.893 29.460 0.307 0.000 1.113 1295 W HN -0.029 nan 8.180 nan 0.000 0.584 1296 M N 1.934 121.694 119.600 0.266 0.000 2.404 1296 M HA 0.293 4.543 4.480 -0.384 0.000 0.338 1296 M C -2.037 173.683 176.300 -0.967 0.000 1.150 1296 M CA -1.672 53.477 55.300 -0.251 0.000 1.016 1296 M CB 1.943 34.287 32.600 -0.427 0.000 1.672 1296 M HN -0.428 nan 8.290 nan 0.000 0.448 1297 P HA 0.228 nan 4.420 nan 0.000 0.276 1297 P C -2.540 174.026 177.300 -1.223 0.000 1.252 1297 P CA -1.303 60.700 63.100 -1.828 0.000 0.802 1297 P CB 0.096 31.154 31.700 -1.070 0.000 1.035 1298 P HA -0.201 nan 4.420 nan 0.000 0.216 1298 P C 1.503 178.608 177.300 -0.326 0.000 1.153 1298 P CA 1.779 64.683 63.100 -0.327 0.000 0.858 1298 P CB -0.219 31.363 31.700 -0.197 0.000 0.789 1299 E N -0.027 119.916 120.200 -0.428 0.000 2.347 1299 E HA -0.086 4.033 4.350 -0.384 0.000 0.196 1299 E C 1.736 178.072 176.600 -0.440 0.000 1.008 1299 E CA 1.312 57.509 56.400 -0.337 0.000 0.852 1299 E CB -0.944 28.575 29.700 -0.302 0.000 0.783 1299 E HN 0.151 nan 8.360 nan 0.000 0.505 1300 A N 0.802 123.215 122.820 -0.679 0.000 1.929 1300 A HA 0.003 4.092 4.320 -0.384 0.000 0.216 1300 A C 1.833 179.120 177.584 -0.496 0.000 1.176 1300 A CA 0.822 52.336 52.037 -0.872 0.000 0.628 1300 A CB -0.634 17.713 19.000 -1.088 0.000 0.816 1300 A HN 0.165 nan 8.150 nan 0.000 0.444 1301 F N 0.032 119.843 119.950 -0.232 0.000 2.031 1301 F HA -0.160 4.136 4.527 -0.385 0.000 0.295 1301 F C 2.616 178.355 175.800 -0.101 0.000 1.133 1301 F CA 1.638 59.562 58.000 -0.127 0.000 1.188 1301 F CB -1.134 37.790 39.000 -0.127 0.000 0.974 1301 F HN 0.093 nan 8.300 nan 0.000 0.473 1302 M N -0.379 119.286 119.600 0.108 0.000 2.084 1302 M HA -0.194 4.056 4.480 -0.384 0.000 0.259 1302 M C 1.849 178.148 176.300 -0.001 0.000 1.072 1302 M CA 1.875 57.200 55.300 0.041 0.000 1.107 1302 M CB -0.541 32.069 32.600 0.016 0.000 1.299 1302 M HN 0.046 nan 8.290 nan 0.000 0.413 1303 E N -0.656 119.511 120.200 -0.055 0.000 2.452 1303 E HA 0.133 4.252 4.350 -0.384 0.000 0.197 1303 E C 1.064 177.637 176.600 -0.044 0.000 1.022 1303 E CA 0.655 57.027 56.400 -0.047 0.000 0.890 1303 E CB 0.452 30.115 29.700 -0.062 0.000 0.918 1303 E HN 0.699 nan 8.360 nan 0.000 0.496 1304 G N 2.414 111.160 108.800 -0.090 0.000 2.221 1304 G HA2 -0.287 3.443 3.960 -0.384 0.000 0.265 1304 G HA3 -0.287 3.443 3.960 -0.384 0.000 0.265 1304 G C 0.215 175.089 174.900 -0.044 0.000 1.041 1304 G CA 0.254 45.343 45.100 -0.019 0.000 0.807 1304 G HN 0.240 nan 8.290 nan 0.000 0.502 1305 I N -0.069 120.346 120.570 -0.259 0.000 2.342 1305 I HA 0.551 4.491 4.170 -0.384 0.000 0.291 1305 I C 0.103 175.939 176.117 -0.468 0.000 1.010 1305 I CA -0.634 60.549 61.300 -0.196 0.000 1.308 1305 I CB 0.731 38.641 38.000 -0.150 0.000 1.400 1305 I HN 0.009 nan 8.210 nan 0.000 0.488 1306 F N 3.893 123.821 119.950 -0.037 0.000 2.508 1306 F HA 0.622 4.919 4.527 -0.383 0.000 0.325 1306 F C 0.520 176.320 175.800 0.001 0.000 1.090 1306 F CA -0.433 57.554 58.000 -0.021 0.000 0.945 1306 F CB 2.247 41.238 39.000 -0.015 0.000 1.156 1306 F HN 0.438 nan 8.300 nan 0.000 0.463 1307 T N -2.565 112.084 114.554 0.159 0.000 2.681 1307 T HA 0.248 4.367 4.350 -0.384 0.000 0.296 1307 T C 0.441 175.246 174.700 0.175 0.000 1.157 1307 T CA -0.614 61.566 62.100 0.133 0.000 1.025 1307 T CB 1.339 70.252 68.868 0.075 0.000 1.441 1307 T HN 0.274 nan 8.240 nan 0.000 0.504 1308 S N -0.165 115.640 115.700 0.176 0.000 2.447 1308 S HA -0.011 4.228 4.470 -0.384 0.000 0.233 1308 S C 1.739 176.479 174.600 0.233 0.000 1.006 1308 S CA 0.518 58.857 58.200 0.231 0.000 0.957 1308 S CB -0.441 62.897 63.200 0.230 0.000 0.773 1308 S HN 0.508 nan 8.310 nan 0.000 0.507 1309 K N 1.150 121.644 120.400 0.156 0.000 2.362 1309 K HA -0.006 4.084 4.320 -0.384 0.000 0.200 1309 K C 2.102 178.813 176.600 0.185 0.000 1.046 1309 K CA 1.212 57.577 56.287 0.131 0.000 0.952 1309 K CB -0.920 31.625 32.500 0.075 0.000 0.753 1309 K HN 0.643 nan 8.250 nan 0.000 0.466 1310 T N -1.131 113.538 114.554 0.192 0.000 2.942 1310 T HA -0.040 4.079 4.350 -0.384 0.000 0.265 1310 T C 1.385 176.304 174.700 0.364 0.000 1.062 1310 T CA 0.705 62.933 62.100 0.212 0.000 1.139 1310 T CB -0.017 68.930 68.868 0.131 0.000 0.883 1310 T HN -0.040 nan 8.240 nan 0.000 0.468 1311 D N 1.489 122.132 120.400 0.405 0.000 2.178 1311 D HA -0.032 4.378 4.640 -0.384 0.000 0.202 1311 D C 2.242 178.910 176.300 0.613 0.000 0.974 1311 D CA 1.153 55.465 54.000 0.519 0.000 0.841 1311 D CB -0.595 40.520 40.800 0.525 0.000 0.953 1311 D HN 0.373 nan 8.370 nan 0.000 0.478 1312 T N 0.480 115.281 114.554 0.411 0.000 2.684 1312 T HA -0.180 3.940 4.350 -0.384 0.000 0.267 1312 T C 1.601 176.500 174.700 0.333 0.000 1.036 1312 T CA 0.866 63.046 62.100 0.133 0.000 1.148 1312 T CB -0.232 68.567 68.868 -0.115 0.000 0.863 1312 T HN 0.349 nan 8.240 nan 0.000 0.436 1313 W N 1.967 123.407 121.300 0.235 0.000 2.335 1313 W HA -0.169 4.259 4.660 -0.385 0.000 0.311 1313 W C 2.287 179.074 176.519 0.445 0.000 1.213 1313 W CA 1.528 59.074 57.345 0.335 0.000 1.274 1313 W CB -0.746 28.861 29.460 0.245 0.000 1.148 1313 W HN 0.237 nan 8.180 nan 0.000 0.498 1314 S N 0.651 116.812 115.700 0.768 0.000 2.382 1314 S HA -0.238 4.001 4.470 -0.384 0.000 0.228 1314 S C 1.565 176.524 174.600 0.597 0.000 1.027 1314 S CA 1.636 60.268 58.200 0.720 0.000 0.991 1314 S CB -1.081 62.495 63.200 0.628 0.000 0.823 1314 S HN 0.327 nan 8.310 nan 0.000 0.469 1315 F N 2.640 122.851 119.950 0.435 0.000 2.134 1315 F HA -0.038 4.258 4.527 -0.385 0.000 0.299 1315 F C 2.316 178.266 175.800 0.249 0.000 1.097 1315 F CA 1.221 59.437 58.000 0.359 0.000 1.264 1315 F CB -1.003 38.265 39.000 0.447 0.000 1.001 1315 F HN 0.225 nan 8.300 nan 0.000 0.479 1316 G N 0.052 108.968 108.800 0.193 0.000 2.513 1316 G HA2 -0.281 3.448 3.960 -0.384 0.000 0.219 1316 G HA3 -0.281 3.448 3.960 -0.384 0.000 0.219 1316 G C 1.707 176.725 174.900 0.197 0.000 1.160 1316 G CA 1.514 46.534 45.100 -0.133 0.000 0.767 1316 G HN 0.359 nan 8.290 nan 0.000 0.571 1317 V N 0.758 120.965 119.914 0.488 0.000 2.358 1317 V HA -0.094 3.795 4.120 -0.384 0.000 0.246 1317 V C 2.642 178.949 176.094 0.354 0.000 1.047 1317 V CA 1.492 64.037 62.300 0.408 0.000 1.035 1317 V CB -0.492 31.413 31.823 0.137 0.000 0.658 1317 V HN 0.368 nan 8.190 nan 0.000 0.452 1318 L N -0.172 121.239 121.223 0.314 0.000 2.079 1318 L HA -0.169 3.940 4.340 -0.384 0.000 0.210 1318 L C 2.175 179.076 176.870 0.052 0.000 1.081 1318 L CA 1.903 56.865 54.840 0.204 0.000 0.752 1318 L CB -0.650 41.433 42.059 0.040 0.000 0.896 1318 L HN 0.230 nan 8.230 nan 0.000 0.433 1319 L N -1.421 119.724 121.223 -0.130 0.000 2.046 1319 L HA -0.192 3.918 4.340 -0.384 0.000 0.208 1319 L C 2.223 179.231 176.870 0.230 0.000 1.077 1319 L CA 1.945 56.761 54.840 -0.040 0.000 0.747 1319 L CB -1.003 40.940 42.059 -0.193 0.000 0.896 1319 L HN 0.574 nan 8.230 nan 0.000 0.432 1320 W N 0.651 122.012 121.300 0.102 0.000 2.358 1320 W HA -0.203 4.226 4.660 -0.385 0.000 0.303 1320 W C 2.382 178.981 176.519 0.134 0.000 1.208 1320 W CA 1.951 59.395 57.345 0.164 0.000 1.274 1320 W CB 0.035 29.631 29.460 0.227 0.000 1.138 1320 W HN 0.203 nan 8.180 nan 0.000 0.515 1321 E N 0.127 120.627 120.200 0.501 0.000 2.058 1321 E HA -0.289 3.830 4.350 -0.384 0.000 0.194 1321 E C 2.065 178.719 176.600 0.090 0.000 0.997 1321 E CA 2.015 58.624 56.400 0.348 0.000 0.801 1321 E CB -0.583 29.354 29.700 0.396 0.000 0.746 1321 E HN 0.380 nan 8.360 nan 0.000 0.450 1322 I N 0.100 120.710 120.570 0.067 0.000 2.142 1322 I HA -0.270 3.669 4.170 -0.384 0.000 0.240 1322 I C 1.995 177.943 176.117 -0.281 0.000 1.078 1322 I CA 1.284 62.530 61.300 -0.089 0.000 1.343 1322 I CB -0.178 37.761 38.000 -0.101 0.000 1.046 1322 I HN 0.035 nan 8.210 nan 0.000 0.405 1323 F N 0.508 120.349 119.950 -0.181 0.000 2.558 1323 F HA -0.102 4.195 4.527 -0.384 0.000 0.298 1323 F C 2.647 178.189 175.800 -0.430 0.000 1.119 1323 F CA 0.990 58.837 58.000 -0.255 0.000 1.451 1323 F CB -0.408 38.462 39.000 -0.217 0.000 1.091 1323 F HN 0.102 nan 8.300 nan 0.000 0.563 1324 S N -0.116 115.280 115.700 -0.507 0.000 2.603 1324 S HA 0.034 4.274 4.470 -0.384 0.000 0.220 1324 S C 0.893 175.104 174.600 -0.648 0.000 0.967 1324 S CA -0.052 57.662 58.200 -0.810 0.000 0.920 1324 S CB -0.775 61.654 63.200 -1.285 0.000 0.773 1324 S HN 0.357 nan 8.310 nan 0.000 0.529 1325 L N 0.435 121.440 121.223 -0.363 0.000 3.597 1325 L HA -0.201 3.908 4.340 -0.384 0.000 0.440 1325 L C 1.051 177.877 176.870 -0.073 0.000 1.277 1325 L CA 0.182 54.890 54.840 -0.219 0.000 0.852 1325 L CB -2.394 39.528 42.059 -0.229 0.000 1.708 1325 L HN 0.682 nan 8.230 nan 0.000 0.885 1326 G N -2.686 106.121 108.800 0.012 0.000 2.131 1326 G HA2 -0.292 3.437 3.960 -0.384 0.000 0.223 1326 G HA3 -0.292 3.437 3.960 -0.384 0.000 0.223 1326 G C 0.032 175.140 174.900 0.347 0.000 0.990 1326 G CA -0.023 45.180 45.100 0.173 0.000 0.671 1326 G HN 0.289 nan 8.290 nan 0.000 0.521 1327 Y N -0.604 119.772 120.300 0.127 0.000 2.379 1327 Y HA 0.597 4.916 4.550 -0.385 0.000 0.337 1327 Y C 1.015 177.129 175.900 0.356 0.000 1.238 1327 Y CA -1.328 56.905 58.100 0.222 0.000 1.405 1327 Y CB 0.551 39.157 38.460 0.243 0.000 1.310 1327 Y HN 0.289 nan 8.280 nan 0.000 0.569 1328 M N 5.177 125.018 119.600 0.401 0.000 2.228 1328 M HA 0.302 4.552 4.480 -0.384 0.000 0.351 1328 M C -2.526 173.897 176.300 0.206 0.000 1.233 1328 M CA -1.473 54.006 55.300 0.298 0.000 1.129 1328 M CB 0.303 33.014 32.600 0.184 0.000 1.604 1328 M HN 0.216 nan 8.290 nan 0.000 0.457 1329 P HA 0.090 nan 4.420 nan 0.000 0.269 1329 P C -1.326 175.708 177.300 -0.444 0.000 1.215 1329 P CA 0.349 63.083 63.100 -0.611 0.000 0.780 1329 P CB 0.024 31.296 31.700 -0.713 0.000 0.898 1330 Y N -1.310 118.588 120.300 -0.669 0.000 3.027 1330 Y HA -0.162 4.157 4.550 -0.385 0.000 0.195 1330 Y C -1.588 174.144 175.900 -0.281 0.000 1.381 1330 Y CA -0.385 57.439 58.100 -0.460 0.000 1.015 1330 Y CB -2.479 35.734 38.460 -0.411 0.000 1.329 1330 Y HN 0.374 nan 8.280 nan 0.000 0.462 1331 P HA 0.068 nan 4.420 nan 0.000 0.262 1331 P C 0.695 177.970 177.300 -0.042 0.000 1.182 1331 P CA 1.552 64.642 63.100 -0.015 0.000 0.761 1331 P CB 1.535 33.275 31.700 0.066 0.000 0.795 1332 S N -0.114 115.564 115.700 -0.036 0.000 2.372 1332 S HA -0.125 4.114 4.470 -0.384 0.000 0.257 1332 S C 0.249 174.809 174.600 -0.067 0.000 1.282 1332 S CA 0.778 58.950 58.200 -0.047 0.000 1.305 1332 S CB -1.474 61.695 63.200 -0.051 0.000 1.614 1332 S HN 0.641 nan 8.310 nan 0.000 0.631 1333 K N 2.589 122.941 120.400 -0.081 0.000 2.185 1333 K HA 0.547 4.637 4.320 -0.384 0.000 0.269 1333 K C 0.485 177.036 176.600 -0.082 0.000 0.987 1333 K CA 0.043 56.262 56.287 -0.112 0.000 0.865 1333 K CB 1.475 33.861 32.500 -0.190 0.000 1.090 1333 K HN 0.411 nan 8.250 nan 0.000 0.450 1334 S N 1.712 117.364 115.700 -0.079 0.000 2.634 1334 S HA 0.091 4.330 4.470 -0.384 0.000 0.261 1334 S C 0.973 175.520 174.600 -0.088 0.000 1.271 1334 S CA -0.509 57.656 58.200 -0.058 0.000 0.985 1334 S CB 0.661 63.832 63.200 -0.048 0.000 0.968 1334 S HN 0.508 nan 8.310 nan 0.000 0.568 1335 N N 0.851 119.517 118.700 -0.056 0.000 2.069 1335 N HA -0.157 4.353 4.740 -0.384 0.000 0.191 1335 N C 1.760 177.183 175.510 -0.145 0.000 1.031 1335 N CA 1.795 54.801 53.050 -0.074 0.000 0.852 1335 N CB -0.836 37.645 38.487 -0.010 0.000 1.018 1335 N HN 0.807 nan 8.380 nan 0.000 0.423 1336 Q N 1.106 120.834 119.800 -0.120 0.000 2.167 1336 Q HA -0.023 4.087 4.340 -0.384 0.000 0.202 1336 Q C 1.504 177.409 176.000 -0.160 0.000 0.970 1336 Q CA 1.381 57.095 55.803 -0.148 0.000 0.855 1336 Q CB -0.054 28.625 28.738 -0.099 0.000 0.911 1336 Q HN 0.431 nan 8.270 nan 0.000 0.438 1337 E N -1.070 119.047 120.200 -0.137 0.000 2.106 1337 E HA -0.129 3.990 4.350 -0.384 0.000 0.192 1337 E C 1.920 178.417 176.600 -0.172 0.000 0.984 1337 E CA 1.269 57.591 56.400 -0.131 0.000 0.806 1337 E CB 0.059 29.684 29.700 -0.125 0.000 0.750 1337 E HN 0.172 nan 8.360 nan 0.000 0.458 1338 V N 1.568 121.326 119.914 -0.261 0.000 2.343 1338 V HA -0.253 3.636 4.120 -0.384 0.000 0.247 1338 V C 2.313 178.212 176.094 -0.325 0.000 1.051 1338 V CA 1.500 63.559 62.300 -0.402 0.000 1.036 1338 V CB -0.394 31.073 31.823 -0.593 0.000 0.654 1338 V HN 0.299 nan 8.190 nan 0.000 0.451 1339 L N -0.110 120.870 121.223 -0.404 0.000 2.012 1339 L HA -0.251 3.858 4.340 -0.384 0.000 0.210 1339 L C 2.595 179.262 176.870 -0.338 0.000 1.073 1339 L CA 2.026 56.490 54.840 -0.627 0.000 0.748 1339 L CB -0.278 41.339 42.059 -0.736 0.000 0.891 1339 L HN 0.380 nan 8.230 nan 0.000 0.431 1340 E N -0.924 119.158 120.200 -0.196 0.000 2.106 1340 E HA -0.241 3.879 4.350 -0.384 0.000 0.192 1340 E C 1.876 178.473 176.600 -0.006 0.000 0.984 1340 E CA 1.310 57.654 56.400 -0.092 0.000 0.806 1340 E CB -0.198 29.465 29.700 -0.062 0.000 0.750 1340 E HN 0.512 nan 8.360 nan 0.000 0.458 1341 F N 1.135 120.993 119.950 -0.153 0.000 2.051 1341 F HA -0.229 4.067 4.527 -0.385 0.000 0.296 1341 F C 2.126 177.891 175.800 -0.059 0.000 1.122 1341 F CA 1.227 59.166 58.000 -0.102 0.000 1.201 1341 F CB -0.479 38.441 39.000 -0.135 0.000 0.978 1341 F HN -0.212 nan 8.300 nan 0.000 0.472 1342 V N 0.358 120.267 119.914 -0.008 0.000 2.343 1342 V HA -0.296 3.593 4.120 -0.384 0.000 0.247 1342 V C 2.454 178.556 176.094 0.014 0.000 1.051 1342 V CA 2.359 64.656 62.300 -0.005 0.000 1.036 1342 V CB -1.277 30.626 31.823 0.133 0.000 0.654 1342 V HN 0.654 nan 8.190 nan 0.000 0.451 1343 T N -3.654 110.897 114.554 -0.005 0.000 3.085 1343 T HA -0.039 4.081 4.350 -0.384 0.000 0.263 1343 T C 1.551 176.239 174.700 -0.021 0.000 1.127 1343 T CA 1.157 63.275 62.100 0.031 0.000 1.103 1343 T CB -0.063 68.812 68.868 0.011 0.000 0.921 1343 T HN 0.344 nan 8.240 nan 0.000 0.510 1344 S N 0.282 115.938 115.700 -0.073 0.000 2.577 1344 S HA 0.486 4.726 4.470 -0.384 0.000 0.219 1344 S C 1.743 176.259 174.600 -0.140 0.000 0.962 1344 S CA 0.154 58.294 58.200 -0.100 0.000 0.921 1344 S CB -0.023 63.126 63.200 -0.086 0.000 0.789 1344 S HN 0.913 nan 8.310 nan 0.000 0.497 1345 G N 1.232 109.950 108.800 -0.138 0.000 2.194 1345 G HA2 -0.176 3.554 3.960 -0.384 0.000 0.236 1345 G HA3 -0.176 3.554 3.960 -0.384 0.000 0.236 1345 G C 0.379 175.119 174.900 -0.267 0.000 0.987 1345 G CA -0.377 44.646 45.100 -0.129 0.000 0.635 1345 G HN 0.788 nan 8.290 nan 0.000 0.520 1346 G N 0.353 108.776 108.800 -0.628 0.000 2.380 1346 G HA2 0.480 4.209 3.960 -0.384 0.000 0.242 1346 G HA3 0.480 4.209 3.960 -0.384 0.000 0.242 1346 G C 0.085 174.473 174.900 -0.854 0.000 1.298 1346 G CA 0.067 44.363 45.100 -1.340 0.000 0.878 1346 G HN 0.418 nan 8.290 nan 0.000 0.542 1347 R N 1.711 122.026 120.500 -0.308 0.000 2.795 1347 R HA 0.328 4.438 4.340 -0.384 0.000 0.275 1347 R C 0.180 176.632 176.300 0.252 0.000 0.981 1347 R CA -1.079 55.036 56.100 0.025 0.000 0.917 1347 R CB 1.514 31.878 30.300 0.106 0.000 1.202 1347 R HN 0.569 nan 8.270 nan 0.000 0.469 1348 M N 1.598 121.151 119.600 -0.079 0.000 2.252 1348 M HA 0.013 4.263 4.480 -0.384 0.000 0.333 1348 M C 0.119 176.615 176.300 0.327 0.000 1.111 1348 M CA 0.551 55.791 55.300 -0.101 0.000 1.140 1348 M CB 0.258 32.403 32.600 -0.757 0.000 1.538 1348 M HN 0.270 nan 8.290 nan 0.000 0.448 1349 D N 3.103 123.673 120.400 0.284 0.000 2.363 1349 D HA 0.241 4.650 4.640 -0.384 0.000 0.240 1349 D C -2.235 174.249 176.300 0.307 0.000 1.236 1349 D CA -0.981 53.166 54.000 0.246 0.000 0.927 1349 D CB -0.019 40.862 40.800 0.135 0.000 1.150 1349 D HN 0.250 nan 8.370 nan 0.000 0.458 1350 P HA 0.177 nan 4.420 nan 0.000 0.271 1350 P C -2.411 174.859 177.300 -0.050 0.000 1.218 1350 P CA -0.797 62.132 63.100 -0.285 0.000 0.780 1350 P CB -0.140 31.138 31.700 -0.705 0.000 0.901 1351 P HA 0.077 nan 4.420 nan 0.000 0.271 1351 P C -0.446 176.713 177.300 -0.234 0.000 1.233 1351 P CA -0.207 62.648 63.100 -0.408 0.000 0.789 1351 P CB 0.289 31.573 31.700 -0.692 0.000 0.951 1352 K N 2.479 122.744 120.400 -0.224 0.000 2.491 1352 K HA -0.046 4.044 4.320 -0.384 0.000 0.279 1352 K C 0.273 176.799 176.600 -0.124 0.000 1.026 1352 K CA 0.663 56.864 56.287 -0.142 0.000 1.070 1352 K CB -1.143 31.280 32.500 -0.129 0.000 0.887 1352 K HN 0.377 nan 8.250 nan 0.000 0.481 1353 N N 1.158 119.805 118.700 -0.088 0.000 2.828 1353 N HA -0.244 4.265 4.740 -0.384 0.000 0.248 1353 N C -0.571 174.908 175.510 -0.050 0.000 1.044 1353 N CA 1.037 54.050 53.050 -0.062 0.000 0.851 1353 N CB -2.211 36.247 38.487 -0.049 0.000 1.136 1353 N HN 0.636 nan 8.380 nan 0.000 0.572 1354 C N 2.392 121.646 119.300 -0.078 0.000 2.633 1354 C HA 0.233 4.463 4.460 -0.384 0.000 0.415 1354 C C -1.522 173.416 174.990 -0.086 0.000 1.393 1354 C CA -1.168 57.804 59.018 -0.078 0.000 1.700 1354 C CB -0.558 27.105 27.740 -0.128 0.000 2.541 1354 C HN 0.210 nan 8.230 nan 0.000 0.603 1355 P HA 0.170 nan 4.420 nan 0.000 0.268 1355 P C 0.830 178.096 177.300 -0.057 0.000 1.204 1355 P CA 0.552 63.613 63.100 -0.065 0.000 0.768 1355 P CB 0.523 32.186 31.700 -0.062 0.000 0.842 1356 G N 4.442 113.230 108.800 -0.019 0.000 2.513 1356 G HA2 -0.225 3.504 3.960 -0.384 0.000 0.219 1356 G HA3 -0.225 3.504 3.960 -0.384 0.000 0.219 1356 G C -0.987 173.925 174.900 0.021 0.000 1.160 1356 G CA 0.923 46.039 45.100 0.026 0.000 0.767 1356 G HN 0.453 nan 8.290 nan 0.000 0.571 1357 P HA -0.029 nan 4.420 nan 0.000 0.216 1357 P C 2.081 179.335 177.300 -0.077 0.000 1.150 1357 P CA 0.793 63.883 63.100 -0.017 0.000 0.837 1357 P CB -0.057 31.653 31.700 0.018 0.000 0.786 1358 V N -1.425 118.399 119.914 -0.149 0.000 2.323 1358 V HA -0.245 3.644 4.120 -0.384 0.000 0.244 1358 V C 2.297 178.248 176.094 -0.239 0.000 1.041 1358 V CA 1.563 63.685 62.300 -0.296 0.000 1.025 1358 V CB -1.450 29.984 31.823 -0.648 0.000 0.656 1358 V HN 0.025 nan 8.190 nan 0.000 0.451 1359 Y N 1.493 121.632 120.300 -0.267 0.000 2.207 1359 Y HA -0.213 4.106 4.550 -0.385 0.000 0.287 1359 Y C 2.647 178.424 175.900 -0.206 0.000 1.156 1359 Y CA 1.585 59.563 58.100 -0.204 0.000 1.182 1359 Y CB -0.292 38.103 38.460 -0.108 0.000 0.979 1359 Y HN 0.124 nan 8.280 nan 0.000 0.521 1360 R N -0.271 120.113 120.500 -0.193 0.000 2.115 1360 R HA -0.122 3.987 4.340 -0.384 0.000 0.230 1360 R C 2.231 178.347 176.300 -0.307 0.000 1.111 1360 R CA 1.646 57.591 56.100 -0.258 0.000 0.976 1360 R CB -0.410 29.820 30.300 -0.118 0.000 0.870 1360 R HN 0.412 nan 8.270 nan 0.000 0.445 1361 I N 0.677 121.086 120.570 -0.267 0.000 2.179 1361 I HA -0.323 3.616 4.170 -0.384 0.000 0.242 1361 I C 2.420 178.277 176.117 -0.433 0.000 1.088 1361 I CA 1.489 62.635 61.300 -0.257 0.000 1.357 1361 I CB -0.242 37.672 38.000 -0.143 0.000 1.051 1361 I HN 0.159 nan 8.210 nan 0.000 0.409 1362 M N 0.310 119.544 119.600 -0.611 0.000 2.080 1362 M HA -0.209 4.040 4.480 -0.384 0.000 0.260 1362 M C 2.486 177.921 176.300 -1.442 0.000 1.068 1362 M CA 2.582 57.200 55.300 -1.138 0.000 1.109 1362 M CB -0.914 30.962 32.600 -1.206 0.000 1.342 1362 M HN 0.425 nan 8.290 nan 0.000 0.405 1363 T N -2.157 111.793 114.554 -1.007 0.000 2.915 1363 T HA -0.093 4.026 4.350 -0.384 0.000 0.269 1363 T C 1.812 176.281 174.700 -0.385 0.000 1.071 1363 T CA 0.749 62.477 62.100 -0.620 0.000 1.132 1363 T CB -0.251 68.323 68.868 -0.489 0.000 0.878 1363 T HN 0.314 nan 8.240 nan 0.000 0.479 1364 Q N 0.300 119.874 119.800 -0.376 0.000 2.119 1364 Q HA -0.011 4.099 4.340 -0.384 0.000 0.201 1364 Q C 2.666 178.523 176.000 -0.238 0.000 0.972 1364 Q CA 1.198 56.858 55.803 -0.239 0.000 0.847 1364 Q CB -0.805 27.811 28.738 -0.203 0.000 0.903 1364 Q HN 0.633 nan 8.270 nan 0.000 0.433 1365 C N -0.600 118.469 119.300 -0.386 0.000 2.419 1365 C HA -0.126 4.104 4.460 -0.384 0.000 0.281 1365 C C 1.540 176.380 174.990 -0.250 0.000 1.336 1365 C CA 0.053 58.877 59.018 -0.323 0.000 1.770 1365 C CB -0.974 26.520 27.740 -0.412 0.000 1.929 1365 C HN 0.547 nan 8.230 nan 0.000 0.509 1366 W N 0.708 121.742 121.300 -0.444 0.000 3.269 1366 W HA 0.309 4.738 4.660 -0.385 0.000 0.413 1366 W C 0.479 176.891 176.519 -0.179 0.000 1.057 1366 W CA -0.636 56.230 57.345 -0.798 0.000 1.953 1366 W CB -1.190 27.723 29.460 -0.912 0.000 1.053 1366 W HN 0.352 nan 8.180 nan 0.000 0.753 1367 Q N 0.107 120.002 119.800 0.158 0.000 2.300 1367 Q HA -0.087 4.023 4.340 -0.384 0.000 0.280 1367 Q C 1.407 177.618 176.000 0.352 0.000 1.033 1367 Q CA 0.558 56.486 55.803 0.208 0.000 0.903 1367 Q CB 0.912 29.715 28.738 0.109 0.000 1.195 1367 Q HN 0.334 nan 8.270 nan 0.000 0.386 1368 H N 2.291 121.512 119.070 0.251 0.000 2.319 1368 H HA -0.118 4.208 4.556 -0.384 0.000 0.297 1368 H C -0.083 175.326 175.328 0.135 0.000 1.097 1368 H CA 1.682 57.858 56.048 0.214 0.000 1.285 1368 H CB 0.652 30.484 29.762 0.117 0.000 1.368 1368 H HN 0.374 nan 8.280 nan 0.000 0.495 1369 Q N 0.718 120.570 119.800 0.088 0.000 2.288 1369 Q HA 0.082 4.191 4.340 -0.384 0.000 0.258 1369 Q C -1.748 174.262 176.000 0.017 0.000 0.957 1369 Q CA -1.749 54.062 55.803 0.012 0.000 0.919 1369 Q CB 1.300 30.083 28.738 0.075 0.000 1.185 1369 Q HN 0.368 nan 8.270 nan 0.000 0.408 1370 P HA -0.227 nan 4.420 nan 0.000 0.216 1370 P C 1.050 178.363 177.300 0.022 0.000 1.150 1370 P CA 1.397 64.503 63.100 0.010 0.000 0.843 1370 P CB 0.290 31.975 31.700 -0.025 0.000 0.787 1371 E N -0.655 119.553 120.200 0.013 0.000 2.338 1371 E HA -0.167 3.952 4.350 -0.384 0.000 0.197 1371 E C 0.689 177.297 176.600 0.013 0.000 1.007 1371 E CA 1.104 57.512 56.400 0.013 0.000 0.849 1371 E CB -0.901 28.806 29.700 0.011 0.000 0.774 1371 E HN 0.276 nan 8.360 nan 0.000 0.506 1372 D N 1.027 121.440 120.400 0.023 0.000 2.349 1372 D HA 0.052 4.461 4.640 -0.384 0.000 0.215 1372 D C 0.295 176.598 176.300 0.006 0.000 1.016 1372 D CA 0.169 54.180 54.000 0.019 0.000 0.870 1372 D CB 0.120 40.943 40.800 0.037 0.000 0.917 1372 D HN 0.155 nan 8.370 nan 0.000 0.524 1373 R N 1.768 122.276 120.500 0.013 0.000 2.490 1373 R HA 0.237 4.346 4.340 -0.384 0.000 0.280 1373 R C -2.180 174.082 176.300 -0.063 0.000 1.077 1373 R CA -1.307 54.785 56.100 -0.015 0.000 1.065 1373 R CB 0.287 30.605 30.300 0.030 0.000 1.003 1373 R HN 0.007 nan 8.270 nan 0.000 0.470 1374 P HA -0.030 nan 4.420 nan 0.000 0.272 1374 P C -1.079 176.097 177.300 -0.206 0.000 1.223 1374 P CA -0.371 62.643 63.100 -0.144 0.000 0.784 1374 P CB 0.515 32.115 31.700 -0.167 0.000 0.923 1375 N N 0.823 119.429 118.700 -0.157 0.000 2.364 1375 N HA 0.080 4.589 4.740 -0.384 0.000 0.264 1375 N C 0.460 175.821 175.510 -0.248 0.000 1.263 1375 N CA -0.265 52.686 53.050 -0.165 0.000 0.959 1375 N CB -0.432 38.038 38.487 -0.027 0.000 1.204 1375 N HN 0.193 nan 8.380 nan 0.000 0.550 1376 F N -1.228 118.685 119.950 -0.061 0.000 2.456 1376 F HA 0.209 4.506 4.527 -0.383 0.000 0.298 1376 F C 2.350 178.092 175.800 -0.096 0.000 1.104 1376 F CA 0.946 58.873 58.000 -0.121 0.000 1.435 1376 F CB -0.542 38.376 39.000 -0.137 0.000 1.078 1376 F HN 0.686 nan 8.300 nan 0.000 0.546 1377 A N 0.251 123.120 122.820 0.081 0.000 1.902 1377 A HA -0.150 3.939 4.320 -0.384 0.000 0.217 1377 A C 2.207 179.793 177.584 0.004 0.000 1.181 1377 A CA 1.444 53.507 52.037 0.043 0.000 0.623 1377 A CB -0.665 18.355 19.000 0.034 0.000 0.818 1377 A HN 0.219 nan 8.150 nan 0.000 0.443 1378 I N -0.104 120.446 120.570 -0.034 0.000 2.286 1378 I HA -0.153 3.786 4.170 -0.384 0.000 0.245 1378 I C 2.404 178.481 176.117 -0.067 0.000 1.104 1378 I CA 0.959 62.226 61.300 -0.055 0.000 1.397 1378 I CB -1.136 36.817 38.000 -0.078 0.000 1.072 1378 I HN 0.299 nan 8.210 nan 0.000 0.417 1379 I N 0.426 120.929 120.570 -0.111 0.000 2.163 1379 I HA -0.322 3.617 4.170 -0.384 0.000 0.243 1379 I C 2.584 178.687 176.117 -0.024 0.000 1.085 1379 I CA 1.347 62.580 61.300 -0.111 0.000 1.347 1379 I CB -0.309 37.533 38.000 -0.263 0.000 1.044 1379 I HN 0.152 nan 8.210 nan 0.000 0.408 1380 L N 0.302 121.525 121.223 -0.000 0.000 2.042 1380 L HA -0.245 3.865 4.340 -0.384 0.000 0.210 1380 L C 2.544 179.447 176.870 0.055 0.000 1.076 1380 L CA 1.509 56.374 54.840 0.041 0.000 0.749 1380 L CB -0.496 41.593 42.059 0.050 0.000 0.893 1380 L HN 0.254 nan 8.230 nan 0.000 0.432 1381 E N -0.334 119.887 120.200 0.035 0.000 2.085 1381 E HA -0.248 3.871 4.350 -0.384 0.000 0.194 1381 E C 2.356 178.998 176.600 0.069 0.000 0.994 1381 E CA 1.250 57.676 56.400 0.044 0.000 0.801 1381 E CB 0.020 29.723 29.700 0.005 0.000 0.743 1381 E HN 0.431 nan 8.360 nan 0.000 0.453 1382 R N 0.113 120.636 120.500 0.038 0.000 2.090 1382 R HA -0.035 4.075 4.340 -0.384 0.000 0.228 1382 R C 2.435 178.804 176.300 0.115 0.000 1.110 1382 R CA 0.818 56.951 56.100 0.055 0.000 0.973 1382 R CB -0.219 30.075 30.300 -0.011 0.000 0.869 1382 R HN 0.184 nan 8.270 nan 0.000 0.440 1383 I N 0.852 121.485 120.570 0.106 0.000 2.163 1383 I HA -0.279 3.661 4.170 -0.384 0.000 0.243 1383 I C 2.526 178.728 176.117 0.141 0.000 1.085 1383 I CA 1.297 62.678 61.300 0.136 0.000 1.347 1383 I CB -0.239 37.861 38.000 0.168 0.000 1.044 1383 I HN 0.117 nan 8.210 nan 0.000 0.408 1384 E N 0.610 120.892 120.200 0.136 0.000 2.085 1384 E HA -0.283 3.836 4.350 -0.384 0.000 0.194 1384 E C 2.064 178.742 176.600 0.129 0.000 0.994 1384 E CA 1.635 58.111 56.400 0.127 0.000 0.801 1384 E CB -0.502 29.267 29.700 0.114 0.000 0.743 1384 E HN 0.473 nan 8.360 nan 0.000 0.453 1385 Y N 0.071 120.389 120.300 0.029 0.000 2.097 1385 Y HA -0.295 4.024 4.550 -0.385 0.000 0.282 1385 Y C 2.556 178.465 175.900 0.016 0.000 1.152 1385 Y CA 1.898 60.008 58.100 0.017 0.000 1.136 1385 Y CB -0.639 37.824 38.460 0.004 0.000 0.975 1385 Y HN 0.168 nan 8.280 nan 0.000 0.498 1386 C N -0.796 118.576 119.300 0.119 0.000 2.403 1386 C HA -0.225 4.004 4.460 -0.384 0.000 0.277 1386 C C 2.665 177.648 174.990 -0.010 0.000 1.248 1386 C CA 1.861 60.900 59.018 0.035 0.000 1.762 1386 C CB -1.440 26.329 27.740 0.048 0.000 2.014 1386 C HN 0.600 nan 8.230 nan 0.000 0.486 1387 T N 0.111 114.678 114.554 0.022 0.000 2.915 1387 T HA -0.132 3.987 4.350 -0.384 0.000 0.269 1387 T C 1.793 176.480 174.700 -0.020 0.000 1.071 1387 T CA 1.232 63.347 62.100 0.026 0.000 1.132 1387 T CB -0.216 68.706 68.868 0.089 0.000 0.878 1387 T HN 0.569 nan 8.240 nan 0.000 0.479 1388 Q N 0.690 120.440 119.800 -0.082 0.000 2.408 1388 Q HA 0.126 4.235 4.340 -0.384 0.000 0.205 1388 Q C 0.362 176.268 176.000 -0.157 0.000 0.919 1388 Q CA 0.180 55.916 55.803 -0.113 0.000 0.932 1388 Q CB -0.036 28.619 28.738 -0.139 0.000 1.058 1388 Q HN 0.396 nan 8.270 nan 0.000 0.517 1389 D N 1.932 122.218 120.400 -0.190 0.000 2.338 1389 D HA 0.058 4.467 4.640 -0.384 0.000 0.255 1389 D C -1.765 174.485 176.300 -0.084 0.000 1.237 1389 D CA -1.974 51.927 54.000 -0.164 0.000 0.883 1389 D CB 1.548 42.252 40.800 -0.160 0.000 1.087 1389 D HN -0.108 nan 8.370 nan 0.000 0.485 1390 P HA -0.091 nan 4.420 nan 0.000 0.216 1390 P C 0.662 177.943 177.300 -0.032 0.000 1.150 1390 P CA 0.751 63.825 63.100 -0.042 0.000 0.837 1390 P CB 0.356 32.034 31.700 -0.036 0.000 0.786 1391 D N -1.245 119.136 120.400 -0.032 0.000 2.310 1391 D HA -0.066 4.343 4.640 -0.384 0.000 0.212 1391 D C 1.863 178.152 176.300 -0.019 0.000 0.965 1391 D CA 0.741 54.728 54.000 -0.021 0.000 0.879 1391 D CB -0.217 40.573 40.800 -0.017 0.000 0.921 1391 D HN 0.048 nan 8.370 nan 0.000 0.510 1392 V N 1.537 121.437 119.914 -0.023 0.000 2.331 1392 V HA -0.122 3.767 4.120 -0.384 0.000 0.242 1392 V C 2.405 178.498 176.094 -0.001 0.000 1.034 1392 V CA 1.039 63.331 62.300 -0.013 0.000 1.027 1392 V CB -0.308 31.506 31.823 -0.016 0.000 0.667 1392 V HN 0.234 nan 8.190 nan 0.000 0.457 1393 I N -1.805 118.758 120.570 -0.011 0.000 3.251 1393 I HA 0.070 4.010 4.170 -0.384 0.000 0.277 1393 I C 1.476 177.584 176.117 -0.015 0.000 1.268 1393 I CA 1.077 62.370 61.300 -0.011 0.000 1.449 1393 I CB -0.424 37.560 38.000 -0.026 0.000 1.083 1393 I HN 0.177 nan 8.210 nan 0.000 0.464 1394 N N 1.522 120.213 118.700 -0.015 0.000 2.322 1394 N HA 0.072 4.581 4.740 -0.384 0.000 0.194 1394 N C -0.046 175.457 175.510 -0.012 0.000 1.126 1394 N CA 0.260 53.301 53.050 -0.014 0.000 0.845 1394 N CB 0.157 38.635 38.487 -0.015 0.000 0.976 1394 N HN 0.325 nan 8.380 nan 0.000 0.475 1395 T N 1.078 115.628 114.554 -0.007 0.000 2.814 1395 T HA 0.362 4.481 4.350 -0.384 0.000 0.297 1395 T C 0.484 175.179 174.700 -0.008 0.000 0.956 1395 T CA -0.493 61.604 62.100 -0.006 0.000 1.123 1395 T CB 1.229 70.098 68.868 0.001 0.000 0.902 1395 T HN 0.134 nan 8.240 nan 0.000 0.528 1396 A N 4.355 127.167 122.820 -0.014 0.000 2.401 1396 A HA 0.513 4.602 4.320 -0.384 0.000 0.259 1396 A C 0.378 177.947 177.584 -0.025 0.000 1.103 1396 A CA -0.581 51.444 52.037 -0.019 0.000 0.789 1396 A CB -0.017 18.972 19.000 -0.019 0.000 1.035 1396 A HN 0.876 nan 8.150 nan 0.000 0.491 1397 L N 3.543 124.745 121.223 -0.035 0.000 2.436 1397 L HA 0.290 4.400 4.340 -0.384 0.000 0.265 1397 L C -1.579 175.261 176.870 -0.049 0.000 1.168 1397 L CA -1.655 53.154 54.840 -0.051 0.000 0.815 1397 L CB 0.331 42.345 42.059 -0.074 0.000 1.109 1397 L HN 0.549 nan 8.230 nan 0.000 0.462 1398 P HA 0.126 nan 4.420 nan 0.000 0.269 1398 P C -0.777 176.506 177.300 -0.029 0.000 1.215 1398 P CA 0.088 63.163 63.100 -0.042 0.000 0.780 1398 P CB 0.728 32.395 31.700 -0.054 0.000 0.898 1399 I N 1.044 121.612 120.570 -0.004 0.000 2.354 1399 I HA 0.244 4.184 4.170 -0.384 0.000 0.292 1399 I C 0.903 177.048 176.117 0.048 0.000 0.989 1399 I CA -0.756 60.552 61.300 0.014 0.000 1.188 1399 I CB 1.278 39.295 38.000 0.027 0.000 1.342 1399 I HN 0.374 nan 8.210 nan 0.000 0.457 1400 E N 5.358 125.585 120.200 0.046 0.000 2.259 1400 E HA 0.102 4.221 4.350 -0.384 0.000 0.281 1400 E C -1.172 175.496 176.600 0.115 0.000 1.027 1400 E CA -0.559 55.890 56.400 0.080 0.000 0.838 1400 E CB 0.843 30.577 29.700 0.057 0.000 1.066 1400 E HN 0.389 nan 8.360 nan 0.000 0.401 1401 Y N 3.652 123.953 120.300 0.002 0.000 2.442 1401 Y HA 0.450 4.770 4.550 -0.384 0.000 0.330 1401 Y C 0.345 176.242 175.900 -0.005 0.000 1.129 1401 Y CA 0.906 59.004 58.100 -0.002 0.000 1.365 1401 Y CB 0.739 39.198 38.460 -0.000 0.000 1.233 1401 Y HN 0.599 nan 8.280 nan 0.000 0.529 1402 G N 0.000 108.489 108.800 -0.518 0.000 5.446 1402 G HA2 0.000 3.729 3.960 -0.384 0.000 0.244 1402 G HA3 0.000 3.729 3.960 -0.384 0.000 0.244 1402 G CA 0.000 nan 45.100 nan 0.000 0.502 1402 G HN 0.000 nan 8.290 nan 0.000 0.925