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 1i69_1_B DATA FIRST_RESID 1087 DATA SEQUENCE ETMSGPLHIG LIPTVGPYLL PHIIPMLHQT FPKLEMYLHE AQTHQLLAQL DATA SEQUENCE DSGKLDAVIL ALVKESEAFI EVPLFDEPML LAIYEDHPWA NREAVPMADL DATA SEQUENCE AGEKLLMLED GHSLRDQAMG FCFEXXXXXX THFRATSLET LRNMVAAGSG DATA SEQUENCE ITLLPALAVP PERKRDGVVY LPAIKPEPRR TIGLVYRPGS PLRSRYEQLA DATA SEQUENCE EAIRARMDGH FD 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 1087 E HA 0.000 nan 4.350 nan 0.000 0.291 1087 E C 0.000 176.624 176.600 0.040 0.000 1.382 1087 E CA 0.000 56.428 56.400 0.046 0.000 0.976 1087 E CB 0.000 29.715 29.700 0.026 0.000 0.812 1088 T N 1.976 116.541 114.554 0.017 0.000 2.795 1088 T HA -0.148 4.202 4.350 0.001 0.000 0.266 1088 T C 1.165 175.848 174.700 -0.028 0.000 1.056 1088 T CA 1.515 63.605 62.100 -0.017 0.000 1.141 1088 T CB -0.322 68.521 68.868 -0.042 0.000 0.840 1088 T HN 0.147 nan 8.240 nan 0.000 0.493 1089 M N 2.263 121.870 119.600 0.012 0.000 3.596 1089 M HA 0.366 4.847 4.480 0.001 0.000 0.219 1089 M C 0.240 176.570 176.300 0.051 0.000 1.471 1089 M CA 0.075 55.368 55.300 -0.012 0.000 1.644 1089 M CB -0.934 31.708 32.600 0.069 0.000 1.083 1089 M HN -0.003 nan 8.290 nan 0.000 0.579 1090 S N 0.130 115.841 115.700 0.019 0.000 2.540 1090 S HA 0.886 5.357 4.470 0.001 0.000 0.275 1090 S C -0.210 174.406 174.600 0.026 0.000 1.123 1090 S CA 0.335 58.557 58.200 0.037 0.000 0.907 1090 S CB 1.680 64.900 63.200 0.034 0.000 1.081 1090 S HN 0.978 nan 8.310 nan 0.000 0.476 1091 G N 3.411 112.237 108.800 0.044 0.000 2.479 1091 G HA2 0.045 4.006 3.960 0.001 0.000 0.686 1091 G HA3 0.045 4.006 3.960 0.001 0.000 0.686 1091 G C -3.484 171.457 174.900 0.067 0.000 1.295 1091 G CA -0.642 44.487 45.100 0.049 0.000 0.922 1091 G HN 0.646 nan 8.290 nan 0.000 0.582 1092 P HA 0.471 nan 4.420 nan 0.000 0.276 1092 P C -0.730 176.597 177.300 0.044 0.000 1.243 1092 P CA -0.069 63.088 63.100 0.096 0.000 0.768 1092 P CB 1.599 33.337 31.700 0.064 0.000 0.856 1093 L N 5.149 126.392 121.223 0.034 0.000 2.356 1093 L HA 0.419 4.759 4.340 0.001 0.000 0.277 1093 L C -0.571 176.284 176.870 -0.024 0.000 0.996 1093 L CA -0.467 54.396 54.840 0.039 0.000 0.822 1093 L CB 0.986 43.081 42.059 0.060 0.000 1.256 1093 L HN 0.389 nan 8.230 nan 0.000 0.413 1094 H N 6.964 126.108 119.070 0.122 0.000 2.623 1094 H HA 0.488 5.045 4.556 0.001 0.000 0.299 1094 H C -0.760 174.578 175.328 0.017 0.000 1.052 1094 H CA -0.247 55.869 56.048 0.114 0.000 1.231 1094 H CB 1.122 30.859 29.762 -0.040 0.000 1.389 1094 H HN 0.517 nan 8.280 nan 0.000 0.469 1095 I N 1.684 122.362 120.570 0.180 0.000 2.530 1095 I HA 0.421 4.592 4.170 0.001 0.000 0.297 1095 I C 0.757 176.940 176.117 0.111 0.000 1.011 1095 I CA -0.985 60.363 61.300 0.079 0.000 1.107 1095 I CB 2.319 40.357 38.000 0.063 0.000 1.285 1095 I HN 0.463 nan 8.210 nan 0.000 0.436 1096 G N 6.319 115.129 108.800 0.017 0.000 2.461 1096 G HA2 0.711 4.671 3.960 0.001 0.000 0.323 1096 G HA3 0.711 4.671 3.960 0.001 0.000 0.323 1096 G C -0.977 173.925 174.900 0.002 0.000 1.229 1096 G CA -0.424 44.694 45.100 0.031 0.000 0.941 1096 G HN 0.292 nan 8.290 nan 0.000 0.477 1097 L N 2.431 123.668 121.223 0.022 0.000 2.354 1097 L HA 0.530 4.871 4.340 0.001 0.000 0.269 1097 L C 0.621 177.497 176.870 0.009 0.000 1.005 1097 L CA -0.840 54.008 54.840 0.014 0.000 0.819 1097 L CB 1.807 43.889 42.059 0.039 0.000 1.311 1097 L HN 0.656 nan 8.230 nan 0.000 0.423 1098 I N -0.783 119.791 120.570 0.006 0.000 2.720 1098 I HA 0.279 4.450 4.170 0.001 0.000 0.287 1098 I C -1.594 174.564 176.117 0.069 0.000 1.090 1098 I CA -1.682 59.623 61.300 0.009 0.000 1.384 1098 I CB 0.426 38.424 38.000 -0.003 0.000 1.420 1098 I HN 0.352 nan 8.210 nan 0.000 0.575 1099 P HA -0.180 nan 4.420 nan 0.000 0.217 1099 P C 1.225 178.661 177.300 0.226 0.000 1.148 1099 P CA 1.849 65.038 63.100 0.147 0.000 0.834 1099 P CB -0.144 31.674 31.700 0.197 0.000 0.783 1100 T N -5.281 109.415 114.554 0.238 0.000 3.129 1100 T HA 0.127 4.478 4.350 0.001 0.000 0.251 1100 T C 1.256 176.134 174.700 0.297 0.000 1.117 1100 T CA 0.226 62.485 62.100 0.264 0.000 1.034 1100 T CB -0.521 68.450 68.868 0.171 0.000 0.968 1100 T HN -0.090 nan 8.240 nan 0.000 0.526 1101 V N 0.433 120.506 119.914 0.264 0.000 3.134 1101 V HA 0.349 4.470 4.120 0.001 0.000 0.222 1101 V C 2.831 179.060 176.094 0.227 0.000 1.247 1101 V CA 0.645 63.097 62.300 0.253 0.000 1.281 1101 V CB -0.965 30.944 31.823 0.143 0.000 1.169 1101 V HN 0.444 nan 8.190 nan 0.000 0.512 1102 G N 3.064 111.938 108.800 0.123 0.000 2.766 1102 G HA2 -0.286 3.674 3.960 0.001 0.000 0.222 1102 G HA3 -0.286 3.674 3.960 0.001 0.000 0.222 1102 G C 0.080 174.969 174.900 -0.018 0.000 1.225 1102 G CA 1.889 47.021 45.100 0.054 0.000 0.784 1102 G HN 0.527 nan 8.290 nan 0.000 0.631 1103 P HA -0.097 nan 4.420 nan 0.000 0.221 1103 P C 0.805 177.823 177.300 -0.470 0.000 1.145 1103 P CA 1.362 64.231 63.100 -0.385 0.000 0.795 1103 P CB -0.169 31.180 31.700 -0.584 0.000 0.775 1104 Y N -1.344 119.006 120.300 0.083 0.000 2.503 1104 Y HA 0.125 4.676 4.550 0.001 0.000 0.277 1104 Y C 2.437 178.435 175.900 0.163 0.000 1.102 1104 Y CA -0.116 58.049 58.100 0.109 0.000 1.261 1104 Y CB -0.635 37.885 38.460 0.101 0.000 1.096 1104 Y HN -0.141 nan 8.280 nan 0.000 0.546 1105 L N -0.371 121.005 121.223 0.254 0.000 2.221 1105 L HA 0.075 4.415 4.340 0.001 0.000 0.202 1105 L C 1.828 178.809 176.870 0.185 0.000 1.074 1105 L CA 1.252 56.227 54.840 0.224 0.000 0.795 1105 L CB -0.622 41.572 42.059 0.224 0.000 0.960 1105 L HN 0.131 nan 8.230 nan 0.000 0.458 1106 L N 0.998 122.285 121.223 0.106 0.000 1.997 1106 L HA -0.193 4.148 4.340 0.001 0.000 0.216 1106 L C -0.306 176.582 176.870 0.031 0.000 1.074 1106 L CA 1.894 56.769 54.840 0.057 0.000 0.763 1106 L CB -2.227 39.837 42.059 0.010 0.000 0.890 1106 L HN 0.302 nan 8.230 nan 0.000 0.434 1107 P HA -0.166 nan 4.420 nan 0.000 0.226 1107 P C 0.749 177.955 177.300 -0.156 0.000 1.146 1107 P CA 1.652 64.691 63.100 -0.101 0.000 0.773 1107 P CB -0.084 31.521 31.700 -0.158 0.000 0.772 1108 H N -0.543 118.515 119.070 -0.020 0.000 2.486 1108 H HA 0.154 4.711 4.556 0.001 0.000 0.287 1108 H C 2.016 177.334 175.328 -0.016 0.000 1.010 1108 H CA 0.943 56.969 56.048 -0.037 0.000 1.324 1108 H CB -0.083 29.611 29.762 -0.113 0.000 1.446 1108 H HN 0.191 nan 8.280 nan 0.000 0.537 1109 I N -2.926 117.719 120.570 0.124 0.000 4.139 1109 I HA 0.067 4.237 4.170 0.001 0.000 0.320 1109 I C 1.167 177.339 176.117 0.092 0.000 1.290 1109 I CA 0.175 61.538 61.300 0.104 0.000 1.253 1109 I CB 0.434 38.503 38.000 0.116 0.000 1.122 1109 I HN 0.001 nan 8.210 nan 0.000 0.421 1110 I N 3.301 123.911 120.570 0.066 0.000 2.142 1110 I HA -0.075 4.096 4.170 0.001 0.000 0.240 1110 I C 0.141 176.298 176.117 0.068 0.000 1.078 1110 I CA 1.824 63.156 61.300 0.055 0.000 1.343 1110 I CB -2.439 35.565 38.000 0.007 0.000 1.046 1110 I HN 0.237 nan 8.210 nan 0.000 0.405 1111 P HA -0.218 nan 4.420 nan 0.000 0.215 1111 P C 1.960 179.312 177.300 0.086 0.000 1.153 1111 P CA 1.546 64.682 63.100 0.061 0.000 0.853 1111 P CB -0.207 31.506 31.700 0.021 0.000 0.788 1112 M N -0.161 119.480 119.600 0.068 0.000 2.086 1112 M HA -0.111 4.369 4.480 0.001 0.000 0.261 1112 M C 2.166 178.511 176.300 0.074 0.000 1.067 1112 M CA 1.667 57.001 55.300 0.056 0.000 1.116 1112 M CB -1.301 31.334 32.600 0.058 0.000 1.348 1112 M HN -0.105 nan 8.290 nan 0.000 0.407 1113 L N -0.656 120.655 121.223 0.148 0.000 2.141 1113 L HA -0.233 4.107 4.340 0.001 0.000 0.209 1113 L C 2.618 179.646 176.870 0.265 0.000 1.094 1113 L CA 1.297 56.294 54.840 0.262 0.000 0.763 1113 L CB -0.927 41.306 42.059 0.290 0.000 0.908 1113 L HN 0.416 nan 8.230 nan 0.000 0.437 1114 H N 1.138 120.258 119.070 0.084 0.000 2.357 1114 H HA -0.164 4.392 4.556 0.001 0.000 0.301 1114 H C 1.644 176.978 175.328 0.011 0.000 1.082 1114 H CA 1.384 57.465 56.048 0.054 0.000 1.342 1114 H CB 0.110 29.884 29.762 0.020 0.000 1.389 1114 H HN 0.432 nan 8.280 nan 0.000 0.511 1115 Q N -0.628 119.137 119.800 -0.059 0.000 2.412 1115 Q HA 0.179 4.520 4.340 0.001 0.000 0.298 1115 Q C -0.182 175.705 176.000 -0.188 0.000 0.938 1115 Q CA 0.417 56.129 55.803 -0.152 0.000 0.968 1115 Q CB 0.446 29.135 28.738 -0.083 0.000 1.187 1115 Q HN 0.200 nan 8.270 nan 0.000 0.421 1116 T N -0.931 113.457 114.554 -0.277 0.000 3.231 1116 T HA 0.191 4.542 4.350 0.001 0.000 0.269 1116 T C -0.491 173.642 174.700 -0.945 0.000 0.849 1116 T CA -0.143 61.600 62.100 -0.596 0.000 0.837 1116 T CB 0.302 68.748 68.868 -0.704 0.000 1.254 1116 T HN 0.385 nan 8.240 nan 0.000 0.640 1117 F N 1.837 121.771 119.950 -0.027 0.000 2.577 1117 F HA 0.310 4.837 4.527 0.001 0.000 0.359 1117 F C -2.081 173.698 175.800 -0.036 0.000 1.535 1117 F CA -1.643 56.348 58.000 -0.015 0.000 1.093 1117 F CB 1.265 40.275 39.000 0.017 0.000 1.613 1117 F HN -0.120 nan 8.300 nan 0.000 0.558 1118 P HA -0.228 nan 4.420 nan 0.000 0.218 1118 P C 0.733 178.038 177.300 0.009 0.000 1.146 1118 P CA 1.511 64.538 63.100 -0.121 0.000 0.820 1118 P CB 0.273 31.873 31.700 -0.166 0.000 0.778 1119 K N -0.866 119.570 120.400 0.060 0.000 2.504 1119 K HA 0.113 4.433 4.320 0.001 0.000 0.199 1119 K C 0.236 176.891 176.600 0.092 0.000 1.028 1119 K CA -0.401 55.926 56.287 0.068 0.000 1.164 1119 K CB -0.188 32.345 32.500 0.054 0.000 0.877 1119 K HN 0.084 nan 8.250 nan 0.000 0.508 1120 L N 1.849 123.150 121.223 0.130 0.000 2.257 1120 L HA 0.130 4.471 4.340 0.001 0.000 0.290 1120 L C -0.408 176.527 176.870 0.109 0.000 1.044 1120 L CA -0.055 54.857 54.840 0.119 0.000 0.810 1120 L CB 1.015 43.164 42.059 0.150 0.000 1.193 1120 L HN 0.022 nan 8.230 nan 0.000 0.425 1121 E N 4.918 125.165 120.200 0.078 0.000 1.963 1121 E HA 0.176 4.526 4.350 0.001 0.000 0.274 1121 E C -0.491 176.106 176.600 -0.005 0.000 1.061 1121 E CA -0.486 55.940 56.400 0.043 0.000 0.847 1121 E CB 0.853 30.626 29.700 0.122 0.000 1.083 1121 E HN 0.495 nan 8.360 nan 0.000 0.402 1122 M N 2.381 121.907 119.600 -0.123 0.000 2.243 1122 M HA 0.120 4.600 4.480 0.001 0.000 0.341 1122 M C -1.135 174.909 176.300 -0.428 0.000 1.130 1122 M CA 0.579 55.786 55.300 -0.156 0.000 1.162 1122 M CB 0.265 32.788 32.600 -0.129 0.000 1.497 1122 M HN 0.341 nan 8.290 nan 0.000 0.456 1123 Y N 4.246 124.486 120.300 -0.100 0.000 2.359 1123 Y HA 0.379 4.929 4.550 0.001 0.000 0.336 1123 Y C -1.238 174.723 175.900 0.101 0.000 1.098 1123 Y CA -0.668 57.403 58.100 -0.049 0.000 1.272 1123 Y CB 0.825 39.185 38.460 -0.168 0.000 1.112 1123 Y HN 0.442 nan 8.280 nan 0.000 0.481 1124 L N 4.746 126.025 121.223 0.093 0.000 2.281 1124 L HA 0.440 4.781 4.340 0.001 0.000 0.285 1124 L C -0.424 176.458 176.870 0.021 0.000 1.074 1124 L CA -0.375 54.526 54.840 0.100 0.000 0.817 1124 L CB 0.286 42.351 42.059 0.011 0.000 1.168 1124 L HN 0.599 nan 8.230 nan 0.000 0.434 1125 H N 1.393 120.503 119.070 0.065 0.000 2.651 1125 H HA 0.578 5.135 4.556 0.001 0.000 0.353 1125 H C -0.813 174.520 175.328 0.007 0.000 1.178 1125 H CA -0.760 55.312 56.048 0.041 0.000 1.224 1125 H CB 1.872 31.656 29.762 0.036 0.000 1.702 1125 H HN 0.530 nan 8.280 nan 0.000 0.550 1126 E N 0.781 121.045 120.200 0.106 0.000 2.291 1126 E HA 0.671 5.021 4.350 0.001 0.000 0.276 1126 E C -1.766 174.843 176.600 0.014 0.000 0.896 1126 E CA -0.777 55.650 56.400 0.043 0.000 0.774 1126 E CB 1.255 30.969 29.700 0.023 0.000 1.227 1126 E HN 0.771 nan 8.360 nan 0.000 0.413 1127 A N 3.423 126.227 122.820 -0.028 0.000 2.493 1127 A HA 0.447 4.767 4.320 0.001 0.000 0.300 1127 A C -1.262 176.228 177.584 -0.156 0.000 1.152 1127 A CA -0.846 51.139 52.037 -0.088 0.000 0.643 1127 A CB 1.359 20.293 19.000 -0.111 0.000 1.316 1127 A HN 0.547 nan 8.150 nan 0.000 0.469 1128 Q N -0.410 119.220 119.800 -0.282 0.000 2.396 1128 Q HA 0.279 4.620 4.340 0.001 0.000 0.221 1128 Q C 0.846 176.622 176.000 -0.374 0.000 1.025 1128 Q CA 0.335 55.919 55.803 -0.365 0.000 0.946 1128 Q CB 0.330 28.790 28.738 -0.464 0.000 1.224 1128 Q HN 0.795 nan 8.270 nan 0.000 0.539 1129 T N 0.945 115.355 114.554 -0.239 0.000 2.720 1129 T HA -0.174 4.177 4.350 0.001 0.000 0.268 1129 T C 1.578 176.184 174.700 -0.156 0.000 1.037 1129 T CA 1.984 63.992 62.100 -0.152 0.000 1.144 1129 T CB -0.351 68.484 68.868 -0.055 0.000 0.864 1129 T HN 0.587 nan 8.240 nan 0.000 0.444 1130 H N 1.034 120.059 119.070 -0.075 0.000 2.326 1130 H HA 0.010 4.567 4.556 0.001 0.000 0.301 1130 H C 2.079 177.375 175.328 -0.054 0.000 1.081 1130 H CA 1.031 57.047 56.048 -0.053 0.000 1.334 1130 H CB -0.606 29.131 29.762 -0.042 0.000 1.385 1130 H HN 0.264 nan 8.280 nan 0.000 0.504 1131 Q N 1.160 120.573 119.800 -0.645 0.000 2.002 1131 Q HA -0.069 4.271 4.340 0.001 0.000 0.204 1131 Q C 2.977 178.856 176.000 -0.202 0.000 0.988 1131 Q CA 1.175 56.778 55.803 -0.334 0.000 0.843 1131 Q CB -0.578 27.926 28.738 -0.391 0.000 0.908 1131 Q HN 0.486 nan 8.270 nan 0.000 0.420 1132 L N 0.042 121.128 121.223 -0.227 0.000 2.013 1132 L HA -0.239 4.102 4.340 0.001 0.000 0.212 1132 L C 2.416 179.164 176.870 -0.204 0.000 1.073 1132 L CA 0.743 55.471 54.840 -0.187 0.000 0.753 1132 L CB -0.571 41.379 42.059 -0.181 0.000 0.890 1132 L HN 0.205 nan 8.230 nan 0.000 0.432 1133 L N -0.125 120.972 121.223 -0.209 0.000 2.079 1133 L HA -0.184 4.156 4.340 0.001 0.000 0.210 1133 L C 2.724 179.527 176.870 -0.113 0.000 1.081 1133 L CA 2.063 56.750 54.840 -0.255 0.000 0.752 1133 L CB -1.152 40.814 42.059 -0.154 0.000 0.896 1133 L HN 0.191 nan 8.230 nan 0.000 0.433 1134 A N -1.492 121.303 122.820 -0.041 0.000 1.873 1134 A HA -0.234 4.087 4.320 0.001 0.000 0.215 1134 A C 2.180 179.755 177.584 -0.015 0.000 1.186 1134 A CA 1.474 53.519 52.037 0.014 0.000 0.616 1134 A CB -0.452 18.559 19.000 0.018 0.000 0.823 1134 A HN 0.538 nan 8.150 nan 0.000 0.442 1135 Q N -1.108 118.651 119.800 -0.068 0.000 2.170 1135 Q HA -0.141 4.200 4.340 0.001 0.000 0.203 1135 Q C 2.050 177.993 176.000 -0.095 0.000 0.976 1135 Q CA 1.325 57.076 55.803 -0.087 0.000 0.858 1135 Q CB -0.311 28.352 28.738 -0.125 0.000 0.907 1135 Q HN 0.600 nan 8.270 nan 0.000 0.433 1136 L N 1.133 122.279 121.223 -0.129 0.000 2.046 1136 L HA -0.193 4.148 4.340 0.001 0.000 0.208 1136 L C 1.771 178.653 176.870 0.021 0.000 1.077 1136 L CA 2.056 56.816 54.840 -0.133 0.000 0.747 1136 L CB -0.399 41.464 42.059 -0.327 0.000 0.896 1136 L HN 0.102 nan 8.230 nan 0.000 0.432 1137 D N -1.347 119.123 120.400 0.116 0.000 2.144 1137 D HA -0.160 4.480 4.640 0.001 0.000 0.199 1137 D C 2.080 178.435 176.300 0.092 0.000 0.984 1137 D CA 1.395 55.525 54.000 0.217 0.000 0.834 1137 D CB 0.079 41.029 40.800 0.249 0.000 0.955 1137 D HN 0.382 nan 8.370 nan 0.000 0.465 1138 S N -1.336 114.387 115.700 0.038 0.000 2.423 1138 S HA 0.123 4.593 4.470 0.001 0.000 0.231 1138 S C 1.774 176.373 174.600 -0.002 0.000 1.014 1138 S CA 1.070 59.275 58.200 0.008 0.000 0.965 1138 S CB 0.100 63.290 63.200 -0.016 0.000 0.785 1138 S HN 0.595 nan 8.310 nan 0.000 0.495 1139 G N 1.036 109.831 108.800 -0.008 0.000 2.195 1139 G HA2 -0.284 3.676 3.960 0.001 0.000 0.224 1139 G HA3 -0.284 3.676 3.960 0.001 0.000 0.224 1139 G C 0.841 175.702 174.900 -0.064 0.000 0.990 1139 G CA 0.591 45.683 45.100 -0.014 0.000 0.639 1139 G HN 0.459 nan 8.290 nan 0.000 0.514 1140 K N -0.087 120.254 120.400 -0.098 0.000 2.152 1140 K HA 0.142 4.462 4.320 0.001 0.000 0.206 1140 K C 0.919 177.374 176.600 -0.241 0.000 1.048 1140 K CA 0.941 57.125 56.287 -0.171 0.000 0.933 1140 K CB -0.132 32.270 32.500 -0.163 0.000 0.721 1140 K HN 0.460 nan 8.250 nan 0.000 0.447 1141 L N 0.737 121.845 121.223 -0.192 0.000 2.334 1141 L HA 0.174 4.514 4.340 0.001 0.000 0.273 1141 L C 0.443 177.246 176.870 -0.113 0.000 1.013 1141 L CA -0.886 53.838 54.840 -0.195 0.000 0.816 1141 L CB 1.773 43.694 42.059 -0.229 0.000 1.278 1141 L HN 0.018 nan 8.230 nan 0.000 0.431 1142 D N 1.188 121.542 120.400 -0.077 0.000 2.216 1142 D HA 0.181 4.822 4.640 0.001 0.000 0.208 1142 D C 0.263 176.313 176.300 -0.417 0.000 0.960 1142 D CA 0.760 54.692 54.000 -0.114 0.000 0.861 1142 D CB 0.812 41.640 40.800 0.047 0.000 0.985 1142 D HN 0.536 nan 8.370 nan 0.000 0.493 1143 A N -0.092 122.546 122.820 -0.303 0.000 2.604 1143 A HA 0.551 4.872 4.320 0.001 0.000 0.295 1143 A C -1.465 176.010 177.584 -0.182 0.000 1.067 1143 A CA -0.536 51.313 52.037 -0.313 0.000 0.683 1143 A CB 1.675 20.452 19.000 -0.372 0.000 1.281 1143 A HN -0.107 nan 8.150 nan 0.000 0.407 1144 V N 1.655 121.465 119.914 -0.174 0.000 2.656 1144 V HA 0.528 4.649 4.120 0.001 0.000 0.307 1144 V C -0.709 175.318 176.094 -0.111 0.000 1.051 1144 V CA -0.299 61.912 62.300 -0.148 0.000 0.893 1144 V CB 1.835 33.530 31.823 -0.213 0.000 0.999 1144 V HN 0.720 nan 8.190 nan 0.000 0.426 1145 I N 6.317 126.844 120.570 -0.072 0.000 2.362 1145 I HA 0.633 4.804 4.170 0.001 0.000 0.289 1145 I C -0.341 175.740 176.117 -0.060 0.000 0.994 1145 I CA -0.326 60.941 61.300 -0.055 0.000 1.158 1145 I CB 1.220 39.214 38.000 -0.010 0.000 1.315 1145 I HN 0.543 nan 8.210 nan 0.000 0.451 1146 L N 3.525 124.699 121.223 -0.083 0.000 2.656 1146 L HA 0.907 5.247 4.340 0.001 0.000 0.252 1146 L C -0.997 175.818 176.870 -0.092 0.000 1.129 1146 L CA -1.115 53.682 54.840 -0.073 0.000 0.962 1146 L CB 1.850 43.858 42.059 -0.084 0.000 1.565 1146 L HN 0.455 nan 8.230 nan 0.000 0.389 1147 A N 1.438 124.216 122.820 -0.070 0.000 2.302 1147 A HA 0.581 4.901 4.320 0.001 0.000 0.295 1147 A C -0.040 177.501 177.584 -0.071 0.000 1.235 1147 A CA -0.475 51.515 52.037 -0.079 0.000 0.876 1147 A CB -0.145 18.829 19.000 -0.044 0.000 1.133 1147 A HN 0.608 nan 8.150 nan 0.000 0.533 1148 L N 3.194 124.367 121.223 -0.084 0.000 2.578 1148 L HA 0.209 4.550 4.340 0.001 0.000 0.279 1148 L C 0.487 177.333 176.870 -0.041 0.000 1.227 1148 L CA 0.060 54.862 54.840 -0.064 0.000 0.900 1148 L CB -0.220 41.800 42.059 -0.066 0.000 1.144 1148 L HN 0.639 nan 8.230 nan 0.000 0.496 1149 V N 0.527 120.425 119.914 -0.027 0.000 3.119 1149 V HA 0.471 4.592 4.120 0.001 0.000 0.311 1149 V C 0.708 176.802 176.094 0.000 0.000 1.259 1149 V CA -0.935 61.358 62.300 -0.011 0.000 1.067 1149 V CB 1.684 33.504 31.823 -0.004 0.000 1.123 1149 V HN 0.582 nan 8.190 nan 0.000 0.463 1150 K N 1.165 121.568 120.400 0.006 0.000 2.009 1150 K HA -0.173 4.148 4.320 0.001 0.000 0.210 1150 K C 1.905 178.521 176.600 0.026 0.000 1.049 1150 K CA 2.626 58.919 56.287 0.010 0.000 0.929 1150 K CB -0.613 31.892 32.500 0.008 0.000 0.714 1150 K HN 0.838 nan 8.250 nan 0.000 0.440 1151 E N 0.674 120.896 120.200 0.036 0.000 2.160 1151 E HA -0.161 4.190 4.350 0.001 0.000 0.195 1151 E C 1.586 178.264 176.600 0.130 0.000 0.991 1151 E CA 1.522 57.964 56.400 0.070 0.000 0.810 1151 E CB -0.859 28.882 29.700 0.069 0.000 0.742 1151 E HN 0.496 nan 8.360 nan 0.000 0.466 1152 S N 0.226 115.978 115.700 0.088 0.000 2.727 1152 S HA 0.004 4.474 4.470 0.001 0.000 0.226 1152 S C 1.583 176.283 174.600 0.167 0.000 0.963 1152 S CA 0.507 58.778 58.200 0.119 0.000 0.950 1152 S CB -0.002 63.189 63.200 -0.016 0.000 0.779 1152 S HN 0.287 nan 8.310 nan 0.000 0.532 1153 E N 1.350 121.618 120.200 0.115 0.000 2.112 1153 E HA 0.077 4.428 4.350 0.001 0.000 0.190 1153 E C 2.131 178.740 176.600 0.015 0.000 0.979 1153 E CA 0.738 57.166 56.400 0.048 0.000 0.814 1153 E CB -0.373 29.335 29.700 0.014 0.000 0.762 1153 E HN 0.707 nan 8.360 nan 0.000 0.460 1154 A N 0.306 123.114 122.820 -0.020 0.000 2.024 1154 A HA -0.088 4.232 4.320 0.001 0.000 0.220 1154 A C 0.622 177.975 177.584 -0.386 0.000 1.164 1154 A CA 0.947 52.831 52.037 -0.255 0.000 0.643 1154 A CB -0.398 18.340 19.000 -0.437 0.000 0.806 1154 A HN 0.165 nan 8.150 nan 0.000 0.451 1155 F N -0.970 118.929 119.950 -0.085 0.000 2.321 1155 F HA 0.490 5.018 4.527 0.001 0.000 0.318 1155 F C 0.634 176.324 175.800 -0.183 0.000 1.129 1155 F CA -1.349 56.576 58.000 -0.126 0.000 1.074 1155 F CB 0.207 39.125 39.000 -0.135 0.000 1.432 1155 F HN -0.158 nan 8.300 nan 0.000 0.502 1156 I N 1.276 121.784 120.570 -0.103 0.000 2.352 1156 I HA 0.167 4.338 4.170 0.001 0.000 0.290 1156 I C -0.297 175.634 176.117 -0.311 0.000 1.036 1156 I CA -0.367 60.745 61.300 -0.314 0.000 1.336 1156 I CB 0.111 37.667 38.000 -0.739 0.000 1.407 1156 I HN 0.578 nan 8.210 nan 0.000 0.497 1157 E N 5.536 125.638 120.200 -0.163 0.000 2.175 1157 E HA 0.510 4.860 4.350 0.001 0.000 0.278 1157 E C -1.013 175.538 176.600 -0.082 0.000 0.969 1157 E CA -0.675 55.656 56.400 -0.114 0.000 0.796 1157 E CB 2.555 32.217 29.700 -0.063 0.000 1.104 1157 E HN 0.269 nan 8.360 nan 0.000 0.395 1158 V N 4.437 124.319 119.914 -0.054 0.000 2.357 1158 V HA 0.236 4.356 4.120 0.001 0.000 0.281 1158 V C -2.383 173.704 176.094 -0.012 0.000 1.015 1158 V CA -2.166 60.135 62.300 0.001 0.000 0.827 1158 V CB 1.145 33.013 31.823 0.075 0.000 1.018 1158 V HN 0.564 nan 8.190 nan 0.000 0.432 1159 P HA 0.182 nan 4.420 nan 0.000 0.263 1159 P C 0.560 177.848 177.300 -0.019 0.000 1.195 1159 P CA 0.411 63.486 63.100 -0.042 0.000 0.762 1159 P CB 0.830 32.516 31.700 -0.024 0.000 0.799 1160 L N 3.521 124.696 121.223 -0.081 0.000 2.349 1160 L HA 0.300 4.641 4.340 0.001 0.000 0.200 1160 L C 0.465 177.420 176.870 0.141 0.000 1.064 1160 L CA 0.608 55.456 54.840 0.013 0.000 0.821 1160 L CB -0.102 41.938 42.059 -0.032 0.000 1.027 1160 L HN 0.400 nan 8.230 nan 0.000 0.476 1161 F N -3.212 116.755 119.950 0.029 0.000 2.769 1161 F HA 0.458 4.986 4.527 0.001 0.000 0.313 1161 F C -1.916 173.867 175.800 -0.028 0.000 1.146 1161 F CA -1.733 56.282 58.000 0.026 0.000 0.934 1161 F CB 0.436 39.488 39.000 0.087 0.000 1.283 1161 F HN -0.301 nan 8.300 nan 0.000 0.443 1162 D N 1.444 121.950 120.400 0.177 0.000 2.177 1162 D HA 0.335 4.976 4.640 0.001 0.000 0.247 1162 D C -1.080 175.216 176.300 -0.007 0.000 1.063 1162 D CA -0.015 53.990 54.000 0.007 0.000 0.867 1162 D CB 1.656 42.434 40.800 -0.036 0.000 1.168 1162 D HN 0.713 nan 8.370 nan 0.000 0.445 1163 E N 3.149 123.311 120.200 -0.065 0.000 2.155 1163 E HA 0.316 4.666 4.350 0.001 0.000 0.264 1163 E C -2.527 173.945 176.600 -0.215 0.000 0.886 1163 E CA -2.325 53.955 56.400 -0.200 0.000 0.752 1163 E CB 1.570 31.363 29.700 0.156 0.000 1.133 1163 E HN 0.175 nan 8.360 nan 0.000 0.414 1164 P HA 0.149 nan 4.420 nan 0.000 0.276 1164 P C -0.654 176.612 177.300 -0.057 0.000 1.252 1164 P CA -0.285 62.726 63.100 -0.149 0.000 0.802 1164 P CB 0.942 32.556 31.700 -0.142 0.000 1.035 1165 M N 1.288 120.874 119.600 -0.023 0.000 2.190 1165 M HA 0.327 4.808 4.480 0.001 0.000 0.312 1165 M C -0.567 175.746 176.300 0.021 0.000 0.990 1165 M CA -0.843 54.459 55.300 0.003 0.000 0.927 1165 M CB 1.526 34.126 32.600 0.001 0.000 1.571 1165 M HN 0.126 nan 8.290 nan 0.000 0.427 1166 L N 2.552 123.800 121.223 0.043 0.000 2.416 1166 L HA 0.557 4.897 4.340 0.001 0.000 0.262 1166 L C -0.365 176.555 176.870 0.082 0.000 1.093 1166 L CA -0.478 54.402 54.840 0.068 0.000 0.801 1166 L CB 0.631 42.750 42.059 0.100 0.000 1.191 1166 L HN 0.533 nan 8.230 nan 0.000 0.459 1167 L N 1.386 122.658 121.223 0.082 0.000 2.357 1167 L HA 0.754 5.095 4.340 0.001 0.000 0.273 1167 L C -0.358 176.556 176.870 0.073 0.000 1.080 1167 L CA 0.028 54.908 54.840 0.067 0.000 0.803 1167 L CB 1.229 43.323 42.059 0.059 0.000 1.174 1167 L HN 0.692 nan 8.230 nan 0.000 0.443 1168 A N 6.529 129.358 122.820 0.014 0.000 2.335 1168 A HA 0.761 5.082 4.320 0.001 0.000 0.304 1168 A C -0.891 176.575 177.584 -0.195 0.000 1.118 1168 A CA -0.502 51.483 52.037 -0.086 0.000 0.757 1168 A CB 0.615 19.631 19.000 0.026 0.000 1.188 1168 A HN 0.755 nan 8.150 nan 0.000 0.460 1169 I N -0.839 119.543 120.570 -0.313 0.000 3.074 1169 I HA 0.759 4.929 4.170 0.001 0.000 0.310 1169 I C -0.738 175.163 176.117 -0.360 0.000 1.153 1169 I CA -1.419 59.596 61.300 -0.475 0.000 0.993 1169 I CB 1.840 39.414 38.000 -0.710 0.000 1.237 1169 I HN 0.685 nan 8.210 nan 0.000 0.443 1170 Y N 0.479 120.692 120.300 -0.146 0.000 2.304 1170 Y HA 0.438 4.989 4.550 0.001 0.000 0.327 1170 Y C 1.157 177.030 175.900 -0.044 0.000 1.209 1170 Y CA -0.714 57.333 58.100 -0.089 0.000 1.299 1170 Y CB 0.198 38.627 38.460 -0.053 0.000 1.249 1170 Y HN 0.628 nan 8.280 nan 0.000 0.519 1171 E N 0.634 120.905 120.200 0.119 0.000 2.114 1171 E HA -0.230 4.121 4.350 0.001 0.000 0.199 1171 E C 0.418 177.093 176.600 0.125 0.000 1.008 1171 E CA 1.851 58.297 56.400 0.077 0.000 0.810 1171 E CB -0.134 29.600 29.700 0.057 0.000 0.739 1171 E HN 0.772 nan 8.360 nan 0.000 0.456 1172 D N -0.016 120.519 120.400 0.225 0.000 2.396 1172 D HA -0.035 4.605 4.640 0.001 0.000 0.255 1172 D C -0.063 176.372 176.300 0.226 0.000 1.224 1172 D CA 0.555 54.672 54.000 0.195 0.000 0.894 1172 D CB -0.356 40.531 40.800 0.145 0.000 0.939 1172 D HN 0.162 nan 8.370 nan 0.000 0.506 1173 H N -0.388 118.684 119.070 0.003 0.000 2.463 1173 H HA 0.148 4.705 4.556 0.000 0.000 0.332 1173 H C -1.654 173.582 175.328 -0.153 0.000 1.127 1173 H CA -1.990 53.930 56.048 -0.213 0.000 1.238 1173 H CB 2.185 31.553 29.762 -0.656 0.000 1.478 1173 H HN -0.211 nan 8.280 nan 0.000 0.499 1174 P HA -0.199 nan 4.420 nan 0.000 0.215 1174 P C 1.003 178.418 177.300 0.191 0.000 1.163 1174 P CA 1.396 64.410 63.100 -0.144 0.000 0.894 1174 P CB -0.010 31.508 31.700 -0.304 0.000 0.791 1175 W N -0.613 120.802 121.300 0.192 0.000 2.721 1175 W HA 0.234 4.894 4.660 0.001 0.000 0.245 1175 W C 2.171 178.720 176.519 0.051 0.000 1.276 1175 W CA 0.026 57.440 57.345 0.115 0.000 1.342 1175 W CB -2.075 27.446 29.460 0.103 0.000 1.135 1175 W HN -0.014 nan 8.180 nan 0.000 0.654 1176 A N 2.052 125.013 122.820 0.235 0.000 2.054 1176 A HA -0.305 4.016 4.320 0.001 0.000 0.223 1176 A C 1.624 179.262 177.584 0.090 0.000 1.169 1176 A CA 2.362 54.464 52.037 0.108 0.000 0.655 1176 A CB -0.985 18.056 19.000 0.069 0.000 0.812 1176 A HN 0.470 nan 8.150 nan 0.000 0.462 1177 N N -1.601 117.162 118.700 0.104 0.000 2.203 1177 N HA 0.105 4.846 4.740 0.001 0.000 0.207 1177 N C 0.578 176.127 175.510 0.065 0.000 1.130 1177 N CA -0.333 52.759 53.050 0.071 0.000 0.861 1177 N CB 0.167 38.689 38.487 0.059 0.000 1.005 1177 N HN 0.311 nan 8.380 nan 0.000 0.507 1178 R N 0.624 121.175 120.500 0.085 0.000 2.738 1178 R HA 0.094 4.434 4.340 0.001 0.000 0.275 1178 R C 0.495 176.809 176.300 0.022 0.000 1.121 1178 R CA -0.022 56.102 56.100 0.041 0.000 1.207 1178 R CB 0.541 30.852 30.300 0.018 0.000 1.141 1178 R HN 0.329 nan 8.270 nan 0.000 0.571 1179 E N -0.873 119.324 120.200 -0.004 0.000 2.465 1179 E HA 0.206 4.556 4.350 0.001 0.000 0.209 1179 E C -0.841 175.751 176.600 -0.013 0.000 0.951 1179 E CA -0.003 56.396 56.400 -0.002 0.000 0.997 1179 E CB 0.859 30.556 29.700 -0.006 0.000 1.025 1179 E HN 0.586 nan 8.360 nan 0.000 0.500 1180 A N -0.136 122.659 122.820 -0.041 0.000 2.569 1180 A HA 0.497 4.817 4.320 0.001 0.000 0.292 1180 A C -1.727 175.779 177.584 -0.130 0.000 1.032 1180 A CA -0.608 51.393 52.037 -0.060 0.000 0.669 1180 A CB 1.523 20.493 19.000 -0.050 0.000 1.290 1180 A HN -0.034 nan 8.150 nan 0.000 0.422 1181 V N 2.547 122.368 119.914 -0.156 0.000 2.531 1181 V HA 0.637 4.758 4.120 0.001 0.000 0.301 1181 V C -2.435 173.529 176.094 -0.216 0.000 1.034 1181 V CA -1.464 60.665 62.300 -0.285 0.000 0.865 1181 V CB 2.153 33.737 31.823 -0.399 0.000 0.995 1181 V HN 0.794 nan 8.190 nan 0.000 0.424 1182 P HA 0.238 nan 4.420 nan 0.000 0.279 1182 P C 0.827 178.040 177.300 -0.145 0.000 1.239 1182 P CA -0.422 62.590 63.100 -0.148 0.000 0.789 1182 P CB 1.089 32.711 31.700 -0.131 0.000 0.933 1183 M N 2.577 122.124 119.600 -0.088 0.000 2.143 1183 M HA -0.215 4.266 4.480 0.001 0.000 0.258 1183 M C 2.080 178.342 176.300 -0.063 0.000 1.071 1183 M CA 2.138 57.401 55.300 -0.061 0.000 1.088 1183 M CB -2.107 30.474 32.600 -0.032 0.000 1.360 1183 M HN 0.490 nan 8.290 nan 0.000 0.404 1184 A N 0.442 123.222 122.820 -0.067 0.000 1.927 1184 A HA -0.224 4.097 4.320 0.001 0.000 0.220 1184 A C 1.821 179.368 177.584 -0.062 0.000 1.185 1184 A CA 2.183 54.185 52.037 -0.058 0.000 0.639 1184 A CB -0.864 18.105 19.000 -0.053 0.000 0.820 1184 A HN 0.471 nan 8.150 nan 0.000 0.451 1185 D N -0.743 119.590 120.400 -0.112 0.000 2.263 1185 D HA -0.084 4.556 4.640 0.001 0.000 0.208 1185 D C 1.549 177.881 176.300 0.054 0.000 0.971 1185 D CA 0.787 54.722 54.000 -0.108 0.000 0.867 1185 D CB -0.119 40.440 40.800 -0.403 0.000 0.929 1185 D HN 0.317 nan 8.370 nan 0.000 0.492 1186 L N 0.724 121.970 121.223 0.037 0.000 2.209 1186 L HA 0.092 4.433 4.340 0.001 0.000 0.207 1186 L C 2.392 179.301 176.870 0.065 0.000 1.094 1186 L CA 0.570 55.493 54.840 0.139 0.000 0.790 1186 L CB -0.897 41.214 42.059 0.086 0.000 0.932 1186 L HN -0.086 nan 8.230 nan 0.000 0.447 1187 A N -0.327 122.482 122.820 -0.019 0.000 2.016 1187 A HA -0.231 4.089 4.320 0.001 0.000 0.225 1187 A C 1.554 179.084 177.584 -0.090 0.000 1.230 1187 A CA 1.962 53.930 52.037 -0.114 0.000 0.678 1187 A CB -1.224 17.702 19.000 -0.124 0.000 0.826 1187 A HN 0.436 nan 8.150 nan 0.000 0.484 1188 G N -1.121 107.678 108.800 -0.002 0.000 3.418 1188 G HA2 0.532 4.492 3.960 0.001 0.000 0.325 1188 G HA3 0.532 4.492 3.960 0.001 0.000 0.325 1188 G C -0.739 174.196 174.900 0.060 0.000 1.556 1188 G CA 0.401 45.505 45.100 0.006 0.000 1.047 1188 G HN 0.424 nan 8.290 nan 0.000 0.500 1189 E N 0.634 120.885 120.200 0.085 0.000 2.439 1189 E HA 0.401 4.751 4.350 0.001 0.000 0.279 1189 E C -0.783 175.880 176.600 0.105 0.000 1.077 1189 E CA -0.850 55.601 56.400 0.085 0.000 0.849 1189 E CB 1.269 31.029 29.700 0.100 0.000 1.408 1189 E HN -0.010 nan 8.360 nan 0.000 0.457 1190 K N 1.831 122.278 120.400 0.077 0.000 2.228 1190 K HA 0.247 4.567 4.320 0.001 0.000 0.284 1190 K C -0.844 175.793 176.600 0.062 0.000 1.088 1190 K CA -0.176 56.161 56.287 0.083 0.000 0.941 1190 K CB -0.283 32.259 32.500 0.069 0.000 1.158 1190 K HN 0.296 nan 8.250 nan 0.000 0.438 1191 L N 4.836 126.097 121.223 0.063 0.000 2.272 1191 L HA 0.281 4.622 4.340 0.001 0.000 0.284 1191 L C -0.153 176.741 176.870 0.039 0.000 1.045 1191 L CA -0.243 54.625 54.840 0.046 0.000 0.842 1191 L CB 0.591 42.676 42.059 0.045 0.000 1.224 1191 L HN 0.378 nan 8.230 nan 0.000 0.430 1192 L N 4.917 126.172 121.223 0.053 0.000 2.453 1192 L HA 0.269 4.610 4.340 0.001 0.000 0.272 1192 L C 0.091 176.989 176.870 0.047 0.000 1.182 1192 L CA 0.579 55.464 54.840 0.075 0.000 0.858 1192 L CB 0.458 42.581 42.059 0.107 0.000 1.120 1192 L HN 0.605 nan 8.230 nan 0.000 0.474 1193 M N 2.938 122.556 119.600 0.030 0.000 2.619 1193 M HA 0.462 4.943 4.480 0.001 0.000 0.297 1193 M C -0.667 175.608 176.300 -0.043 0.000 1.229 1193 M CA -0.665 54.634 55.300 -0.003 0.000 0.860 1193 M CB 2.467 35.062 32.600 -0.007 0.000 1.741 1193 M HN 0.354 nan 8.290 nan 0.000 0.462 1194 L N 0.982 122.166 121.223 -0.065 0.000 2.464 1194 L HA 0.185 4.525 4.340 0.001 0.000 0.264 1194 L C 0.709 177.520 176.870 -0.099 0.000 1.199 1194 L CA 0.041 54.791 54.840 -0.149 0.000 0.818 1194 L CB 0.345 42.258 42.059 -0.242 0.000 1.102 1194 L HN 0.683 nan 8.230 nan 0.000 0.473 1195 E N 1.002 121.134 120.200 -0.113 0.000 2.425 1195 E HA -0.034 4.317 4.350 0.001 0.000 0.258 1195 E C -0.631 176.032 176.600 0.104 0.000 1.151 1195 E CA -0.667 55.724 56.400 -0.015 0.000 0.958 1195 E CB 0.610 30.310 29.700 -0.000 0.000 0.968 1195 E HN 0.432 nan 8.360 nan 0.000 0.451 1196 D N 0.284 120.722 120.400 0.064 0.000 2.443 1196 D HA 0.138 4.778 4.640 0.001 0.000 0.239 1196 D C 0.458 176.818 176.300 0.101 0.000 1.136 1196 D CA 1.471 55.510 54.000 0.063 0.000 0.879 1196 D CB 1.041 41.849 40.800 0.013 0.000 1.195 1196 D HN 0.721 nan 8.370 nan 0.000 0.443 1197 G N 1.957 110.803 108.800 0.077 0.000 2.143 1197 G HA2 -0.178 3.782 3.960 0.001 0.000 0.175 1197 G HA3 -0.178 3.782 3.960 0.001 0.000 0.175 1197 G C -0.286 174.556 174.900 -0.097 0.000 1.004 1197 G CA -0.454 44.661 45.100 0.025 0.000 0.671 1197 G HN 0.645 nan 8.290 nan 0.000 0.512 1198 H N 0.343 119.442 119.070 0.049 0.000 3.013 1198 H HA 0.513 5.069 4.556 0.001 0.000 0.326 1198 H C 0.543 175.888 175.328 0.028 0.000 0.973 1198 H CA 0.016 56.088 56.048 0.040 0.000 1.369 1198 H CB 1.470 31.251 29.762 0.031 0.000 1.598 1198 H HN 0.280 nan 8.280 nan 0.000 0.518 1199 S N 3.877 119.638 115.700 0.101 0.000 3.988 1199 S HA 0.067 4.538 4.470 0.001 0.000 0.180 1199 S C 0.589 175.228 174.600 0.065 0.000 1.242 1199 S CA 0.045 58.282 58.200 0.062 0.000 0.947 1199 S CB -0.301 62.916 63.200 0.028 0.000 1.519 1199 S HN 0.701 nan 8.310 nan 0.000 0.439 1200 L N -0.423 120.846 121.223 0.078 0.000 2.567 1200 L HA 0.276 4.616 4.340 0.001 0.000 0.228 1200 L C 2.380 179.277 176.870 0.044 0.000 1.046 1200 L CA -0.027 54.846 54.840 0.054 0.000 1.013 1200 L CB -0.087 42.007 42.059 0.057 0.000 1.944 1200 L HN 0.476 nan 8.230 nan 0.000 0.510 1201 R N 1.019 121.551 120.500 0.055 0.000 2.092 1201 R HA -0.192 4.149 4.340 0.001 0.000 0.226 1201 R C 1.327 177.648 176.300 0.036 0.000 1.140 1201 R CA 2.355 58.477 56.100 0.038 0.000 0.910 1201 R CB -0.499 29.826 30.300 0.042 0.000 0.822 1201 R HN 0.258 nan 8.270 nan 0.000 0.433 1202 D N 0.292 120.716 120.400 0.040 0.000 2.322 1202 D HA -0.226 4.414 4.640 0.001 0.000 0.210 1202 D C 1.873 178.190 176.300 0.027 0.000 0.983 1202 D CA 1.224 55.242 54.000 0.030 0.000 0.902 1202 D CB -0.161 40.657 40.800 0.029 0.000 0.905 1202 D HN 0.401 nan 8.370 nan 0.000 0.483 1203 Q N 0.498 120.315 119.800 0.028 0.000 2.084 1203 Q HA 0.025 4.366 4.340 0.001 0.000 0.202 1203 Q C 0.719 176.734 176.000 0.025 0.000 0.978 1203 Q CA 1.071 56.887 55.803 0.021 0.000 0.844 1203 Q CB -0.361 28.388 28.738 0.019 0.000 0.898 1203 Q HN 0.256 nan 8.270 nan 0.000 0.426 1204 A N 0.810 123.648 122.820 0.030 0.000 1.928 1204 A HA -0.303 4.017 4.320 0.001 0.000 0.252 1204 A C 0.895 178.506 177.584 0.043 0.000 1.250 1204 A CA 0.747 52.807 52.037 0.039 0.000 0.764 1204 A CB -1.150 17.878 19.000 0.047 0.000 1.129 1204 A HN 0.451 nan 8.150 nan 0.000 0.318 1205 M N 0.497 120.117 119.600 0.033 0.000 3.023 1205 M HA -0.223 4.257 4.480 0.001 0.000 0.274 1205 M C 1.694 178.026 176.300 0.053 0.000 1.053 1205 M CA 2.422 57.741 55.300 0.032 0.000 1.063 1205 M CB -1.948 30.665 32.600 0.021 0.000 1.223 1205 M HN 0.792 nan 8.290 nan 0.000 0.530 1206 G N -1.370 107.465 108.800 0.057 0.000 2.510 1206 G HA2 0.402 4.362 3.960 0.001 0.000 0.280 1206 G HA3 0.402 4.362 3.960 0.001 0.000 0.280 1206 G C -1.065 173.928 174.900 0.155 0.000 1.386 1206 G CA -0.518 44.637 45.100 0.091 0.000 1.047 1206 G HN 0.382 nan 8.290 nan 0.000 0.527 1207 F N 0.272 120.240 119.950 0.031 0.000 2.467 1207 F HA 0.560 5.087 4.527 0.001 0.000 0.336 1207 F C 0.305 176.141 175.800 0.060 0.000 1.123 1207 F CA -1.736 56.288 58.000 0.041 0.000 0.964 1207 F CB 0.916 39.938 39.000 0.037 0.000 1.136 1207 F HN 0.653 nan 8.300 nan 0.000 0.447 1208 C N 3.877 123.033 119.300 -0.241 0.000 3.178 1208 C HA 0.634 5.094 4.460 0.001 0.000 0.099 1208 C C -0.136 174.791 174.990 -0.105 0.000 2.497 1208 C CA -0.506 58.325 59.018 -0.312 0.000 1.927 1208 C CB 0.421 28.129 27.740 -0.053 0.000 3.085 1208 C HN 0.839 nan 8.230 nan 0.000 0.376 1209 F N 2.737 122.643 119.950 -0.074 0.000 2.310 1209 F HA 0.757 5.285 4.527 0.001 0.000 0.365 1209 F C -0.214 175.622 175.800 0.059 0.000 1.080 1209 F CA -0.736 57.275 58.000 0.018 0.000 1.187 1209 F CB -0.684 38.312 39.000 -0.005 0.000 1.465 1209 F HN 0.940 nan 8.300 nan 0.000 0.496 1218 H N 0.479 119.576 119.070 0.045 0.000 3.186 1218 H HA 0.667 5.224 4.556 0.001 0.000 0.219 1218 H C -1.158 174.256 175.328 0.143 0.000 1.393 1218 H CA -0.990 55.093 56.048 0.058 0.000 1.183 1218 H CB -0.127 29.663 29.762 0.046 0.000 2.346 1218 H HN 0.486 nan 8.280 nan 0.000 0.535 1219 F N 1.785 121.770 119.950 0.058 0.000 2.605 1219 F HA 0.680 5.208 4.527 0.001 0.000 0.320 1219 F C -1.790 174.020 175.800 0.016 0.000 1.159 1219 F CA -0.700 57.331 58.000 0.052 0.000 0.999 1219 F CB 1.482 40.510 39.000 0.047 0.000 1.258 1219 F HN 0.033 nan 8.300 nan 0.000 0.464 1220 R N 4.073 124.062 120.500 -0.851 0.000 2.599 1220 R HA 0.785 5.125 4.340 0.001 0.000 0.295 1220 R C -0.682 175.146 176.300 -0.787 0.000 0.963 1220 R CA -0.970 54.782 56.100 -0.580 0.000 0.883 1220 R CB 1.707 31.835 30.300 -0.288 0.000 1.171 1220 R HN 0.768 nan 8.270 nan 0.000 0.450 1221 A N 0.649 123.239 122.820 -0.383 0.000 2.304 1221 A HA 0.399 4.720 4.320 0.001 0.000 0.271 1221 A C 0.954 178.424 177.584 -0.190 0.000 1.091 1221 A CA -0.039 51.878 52.037 -0.201 0.000 0.812 1221 A CB 0.359 19.342 19.000 -0.027 0.000 1.056 1221 A HN 0.823 nan 8.150 nan 0.000 0.489 1222 T N -2.367 112.119 114.554 -0.113 0.000 2.971 1222 T HA 0.287 4.638 4.350 0.001 0.000 0.252 1222 T C 0.563 175.213 174.700 -0.085 0.000 1.022 1222 T CA 0.650 62.699 62.100 -0.085 0.000 0.980 1222 T CB -0.438 68.424 68.868 -0.010 0.000 1.044 1222 T HN 1.205 nan 8.240 nan 0.000 0.501 1223 S N 0.387 116.058 115.700 -0.047 0.000 2.568 1223 S HA 0.659 5.129 4.470 0.001 0.000 0.293 1223 S C 0.470 175.073 174.600 0.006 0.000 1.089 1223 S CA -0.905 57.295 58.200 0.001 0.000 0.945 1223 S CB 1.929 65.162 63.200 0.056 0.000 1.077 1223 S HN -0.011 nan 8.310 nan 0.000 0.485 1224 L N 1.172 122.426 121.223 0.051 0.000 2.141 1224 L HA 0.057 4.398 4.340 0.001 0.000 0.209 1224 L C 2.354 179.282 176.870 0.098 0.000 1.094 1224 L CA 1.864 56.740 54.840 0.061 0.000 0.763 1224 L CB -0.833 41.286 42.059 0.100 0.000 0.908 1224 L HN 0.796 nan 8.230 nan 0.000 0.437 1225 E N -1.270 119.011 120.200 0.136 0.000 2.046 1225 E HA -0.188 4.162 4.350 0.001 0.000 0.190 1225 E C 2.185 178.847 176.600 0.104 0.000 0.982 1225 E CA 1.551 58.031 56.400 0.133 0.000 0.800 1225 E CB -0.749 29.030 29.700 0.133 0.000 0.756 1225 E HN 0.415 nan 8.360 nan 0.000 0.449 1226 T N 1.178 115.787 114.554 0.092 0.000 2.759 1226 T HA -0.160 4.191 4.350 0.001 0.000 0.269 1226 T C 1.895 176.663 174.700 0.113 0.000 1.042 1226 T CA 1.027 63.186 62.100 0.098 0.000 1.140 1226 T CB -0.180 68.748 68.868 0.099 0.000 0.864 1226 T HN -0.002 nan 8.240 nan 0.000 0.455 1227 L N 1.391 122.671 121.223 0.096 0.000 2.005 1227 L HA 0.110 4.451 4.340 0.001 0.000 0.207 1227 L C 2.645 179.573 176.870 0.096 0.000 1.072 1227 L CA 1.952 56.851 54.840 0.098 0.000 0.744 1227 L CB -0.794 41.298 42.059 0.055 0.000 0.895 1227 L HN 0.163 nan 8.230 nan 0.000 0.433 1228 R N -0.392 120.166 120.500 0.097 0.000 2.113 1228 R HA -0.223 4.117 4.340 0.001 0.000 0.244 1228 R C 1.949 178.308 176.300 0.098 0.000 1.142 1228 R CA 2.043 58.211 56.100 0.114 0.000 0.953 1228 R CB -0.458 29.928 30.300 0.144 0.000 0.860 1228 R HN 0.523 nan 8.270 nan 0.000 0.438 1229 N N -0.001 118.754 118.700 0.091 0.000 2.453 1229 N HA -0.118 4.623 4.740 0.001 0.000 0.183 1229 N C 1.649 177.188 175.510 0.050 0.000 1.041 1229 N CA 0.894 53.986 53.050 0.070 0.000 0.900 1229 N CB -0.040 38.487 38.487 0.066 0.000 0.961 1229 N HN 0.323 nan 8.380 nan 0.000 0.443 1230 M N 0.233 119.869 119.600 0.060 0.000 2.254 1230 M HA -0.043 4.437 4.480 0.001 0.000 0.265 1230 M C 1.971 178.292 176.300 0.034 0.000 1.066 1230 M CA 0.665 55.984 55.300 0.030 0.000 1.123 1230 M CB -0.432 32.205 32.600 0.062 0.000 1.388 1230 M HN -0.102 nan 8.290 nan 0.000 0.425 1231 V N 0.458 120.413 119.914 0.069 0.000 2.358 1231 V HA -0.221 3.899 4.120 0.001 0.000 0.246 1231 V C 2.695 178.857 176.094 0.112 0.000 1.047 1231 V CA 1.810 64.175 62.300 0.108 0.000 1.035 1231 V CB -1.317 30.541 31.823 0.059 0.000 0.658 1231 V HN 0.466 nan 8.190 nan 0.000 0.452 1232 A N 0.267 123.121 122.820 0.057 0.000 1.902 1232 A HA -0.113 4.208 4.320 0.001 0.000 0.217 1232 A C 2.275 179.855 177.584 -0.007 0.000 1.181 1232 A CA 1.931 53.990 52.037 0.037 0.000 0.623 1232 A CB -0.780 18.240 19.000 0.033 0.000 0.818 1232 A HN 0.615 nan 8.150 nan 0.000 0.443 1233 A N -1.365 121.436 122.820 -0.031 0.000 2.248 1233 A HA 0.370 4.691 4.320 0.001 0.000 0.210 1233 A C 1.765 179.244 177.584 -0.175 0.000 1.174 1233 A CA 1.235 53.222 52.037 -0.083 0.000 0.750 1233 A CB -1.351 17.604 19.000 -0.074 0.000 0.780 1233 A HN 1.997 nan 8.150 nan 0.000 0.478 1234 G N -1.005 107.662 108.800 -0.223 0.000 2.221 1234 G HA2 -0.258 3.703 3.960 0.001 0.000 0.265 1234 G HA3 -0.258 3.703 3.960 0.001 0.000 0.265 1234 G C 0.678 175.319 174.900 -0.430 0.000 1.041 1234 G CA 0.625 45.338 45.100 -0.645 0.000 0.807 1234 G HN 0.644 nan 8.290 nan 0.000 0.502 1235 S N -0.560 115.047 115.700 -0.155 0.000 2.575 1235 S HA 0.529 5.000 4.470 0.001 0.000 0.215 1235 S C 1.245 175.851 174.600 0.009 0.000 0.966 1235 S CA 1.001 59.141 58.200 -0.100 0.000 0.911 1235 S CB 0.635 63.762 63.200 -0.123 0.000 0.780 1235 S HN 2.025 nan 8.310 nan 0.000 0.514 1236 G N 1.172 110.060 108.800 0.147 0.000 2.343 1236 G HA2 0.350 4.310 3.960 0.001 0.000 0.289 1236 G HA3 0.350 4.310 3.960 0.001 0.000 0.289 1236 G C -1.611 173.387 174.900 0.164 0.000 1.295 1236 G CA -0.681 44.527 45.100 0.180 0.000 0.869 1236 G HN 0.331 nan 8.290 nan 0.000 0.522 1237 I N -2.875 117.712 120.570 0.029 0.000 3.067 1237 I HA 0.972 5.142 4.170 0.001 0.000 0.312 1237 I C -0.228 175.884 176.117 -0.009 0.000 1.073 1237 I CA -0.938 60.320 61.300 -0.071 0.000 1.016 1237 I CB 2.379 40.244 38.000 -0.225 0.000 1.227 1237 I HN 0.852 nan 8.210 nan 0.000 0.456 1238 T N 2.162 116.711 114.554 -0.009 0.000 2.749 1238 T HA 0.522 4.873 4.350 0.001 0.000 0.310 1238 T C -1.575 173.144 174.700 0.032 0.000 1.496 1238 T CA -0.626 61.487 62.100 0.023 0.000 1.006 1238 T CB 1.568 70.458 68.868 0.037 0.000 1.457 1238 T HN 0.582 nan 8.240 nan 0.000 0.497 1239 L N 2.509 123.752 121.223 0.034 0.000 2.322 1239 L HA 0.723 5.063 4.340 0.001 0.000 0.279 1239 L C -0.799 176.090 176.870 0.032 0.000 1.036 1239 L CA -0.871 53.991 54.840 0.036 0.000 0.807 1239 L CB 1.374 43.450 42.059 0.027 0.000 1.226 1239 L HN 0.439 nan 8.230 nan 0.000 0.433 1240 L N 3.705 124.949 121.223 0.034 0.000 2.445 1240 L HA 0.499 4.839 4.340 0.001 0.000 0.262 1240 L C -2.425 174.433 176.870 -0.021 0.000 0.974 1240 L CA -1.937 52.903 54.840 0.001 0.000 0.822 1240 L CB 2.814 44.882 42.059 0.014 0.000 1.339 1240 L HN 0.343 nan 8.230 nan 0.000 0.409 1241 P HA 0.006 nan 4.420 nan 0.000 0.268 1241 P C 0.348 177.636 177.300 -0.019 0.000 1.205 1241 P CA -0.046 63.038 63.100 -0.027 0.000 0.771 1241 P CB 1.252 32.934 31.700 -0.031 0.000 0.858 1242 A N 4.331 127.192 122.820 0.068 0.000 1.927 1242 A HA -0.199 4.122 4.320 0.001 0.000 0.220 1242 A C 2.206 179.868 177.584 0.131 0.000 1.185 1242 A CA 1.631 53.758 52.037 0.151 0.000 0.639 1242 A CB -1.447 17.774 19.000 0.368 0.000 0.820 1242 A HN 0.604 nan 8.150 nan 0.000 0.451 1243 L N -1.288 120.032 121.223 0.162 0.000 2.353 1243 L HA -0.132 4.208 4.340 0.001 0.000 0.220 1243 L C 2.475 179.362 176.870 0.029 0.000 1.133 1243 L CA 0.755 55.661 54.840 0.111 0.000 0.798 1243 L CB -0.368 41.788 42.059 0.161 0.000 0.922 1243 L HN 0.469 nan 8.230 nan 0.000 0.445 1244 A N -0.736 121.955 122.820 -0.215 0.000 2.337 1244 A HA 0.305 4.625 4.320 0.001 0.000 0.227 1244 A C 0.497 177.919 177.584 -0.271 0.000 1.259 1244 A CA -0.030 51.713 52.037 -0.489 0.000 0.870 1244 A CB 0.033 18.438 19.000 -0.991 0.000 0.927 1244 A HN 0.086 nan 8.150 nan 0.000 0.497 1245 V N 2.721 122.496 119.914 -0.231 0.000 2.459 1245 V HA 0.331 4.452 4.120 0.001 0.000 0.295 1245 V C -2.038 173.864 176.094 -0.320 0.000 1.029 1245 V CA -1.711 60.321 62.300 -0.447 0.000 0.874 1245 V CB 1.805 33.386 31.823 -0.403 0.000 0.985 1245 V HN 0.379 nan 8.190 nan 0.000 0.438 1246 P HA 0.279 nan 4.420 nan 0.000 0.274 1246 P C -2.381 174.856 177.300 -0.105 0.000 1.246 1246 P CA -1.379 61.626 63.100 -0.158 0.000 0.795 1246 P CB 0.638 32.286 31.700 -0.087 0.000 1.006 1247 P HA -0.110 nan 4.420 nan 0.000 0.215 1247 P C -0.172 177.132 177.300 0.008 0.000 1.157 1247 P CA 1.443 64.530 63.100 -0.021 0.000 0.868 1247 P CB -0.115 31.578 31.700 -0.012 0.000 0.788 1248 E N -0.478 119.743 120.200 0.034 0.000 2.415 1248 E HA -0.009 4.341 4.350 0.001 0.000 0.263 1248 E C 1.322 177.997 176.600 0.125 0.000 0.995 1248 E CA 0.087 56.528 56.400 0.068 0.000 0.915 1248 E CB 0.115 29.861 29.700 0.077 0.000 0.951 1248 E HN 0.067 nan 8.360 nan 0.000 0.449 1249 R N 3.026 123.594 120.500 0.113 0.000 2.105 1249 R HA -0.120 4.220 4.340 0.001 0.000 0.239 1249 R C 0.187 176.601 176.300 0.190 0.000 1.135 1249 R CA 1.353 57.543 56.100 0.149 0.000 0.967 1249 R CB 0.242 30.595 30.300 0.089 0.000 0.861 1249 R HN 0.357 nan 8.270 nan 0.000 0.442 1250 K N 0.085 120.565 120.400 0.134 0.000 2.259 1250 K HA 0.340 4.660 4.320 0.001 0.000 0.252 1250 K C -1.375 175.300 176.600 0.125 0.000 0.936 1250 K CA -0.823 55.522 56.287 0.095 0.000 0.810 1250 K CB 1.482 34.012 32.500 0.050 0.000 1.143 1250 K HN 0.041 nan 8.250 nan 0.000 0.427 1251 R N 2.614 123.185 120.500 0.118 0.000 2.736 1251 R HA 0.042 4.382 4.340 0.001 0.000 0.250 1251 R C -1.420 174.944 176.300 0.106 0.000 1.098 1251 R CA -0.298 55.883 56.100 0.134 0.000 0.978 1251 R CB 0.923 31.345 30.300 0.203 0.000 1.263 1251 R HN 0.834 nan 8.270 nan 0.000 0.460 1252 D N 3.020 123.468 120.400 0.079 0.000 2.692 1252 D HA -0.200 4.440 4.640 0.001 0.000 0.233 1252 D C 0.616 176.943 176.300 0.044 0.000 1.172 1252 D CA 2.151 56.188 54.000 0.063 0.000 0.636 1252 D CB -0.816 40.032 40.800 0.080 0.000 1.028 1252 D HN 1.057 nan 8.370 nan 0.000 0.419 1253 G N -1.776 107.042 108.800 0.031 0.000 2.153 1253 G HA2 -0.290 3.671 3.960 0.001 0.000 0.252 1253 G HA3 -0.290 3.671 3.960 0.001 0.000 0.252 1253 G C 0.296 175.194 174.900 -0.003 0.000 0.994 1253 G CA 0.441 45.553 45.100 0.020 0.000 0.698 1253 G HN 0.572 nan 8.290 nan 0.000 0.521 1254 V N -0.302 119.576 119.914 -0.059 0.000 2.735 1254 V HA 0.714 4.834 4.120 0.001 0.000 0.310 1254 V C 0.151 176.030 176.094 -0.359 0.000 1.061 1254 V CA -0.915 61.251 62.300 -0.224 0.000 0.913 1254 V CB 2.283 33.914 31.823 -0.319 0.000 1.005 1254 V HN 0.269 nan 8.190 nan 0.000 0.428 1255 V N 3.999 123.663 119.914 -0.418 0.000 2.459 1255 V HA 0.493 4.613 4.120 0.001 0.000 0.295 1255 V C -1.297 174.533 176.094 -0.440 0.000 1.029 1255 V CA -0.703 61.410 62.300 -0.311 0.000 0.874 1255 V CB 1.546 33.289 31.823 -0.134 0.000 0.985 1255 V HN 0.771 nan 8.190 nan 0.000 0.438 1256 Y N 5.819 126.126 120.300 0.012 0.000 2.356 1256 Y HA 0.728 5.278 4.550 0.000 0.000 0.334 1256 Y C -0.243 175.666 175.900 0.015 0.000 0.958 1256 Y CA -1.048 57.059 58.100 0.011 0.000 1.196 1256 Y CB 1.357 39.826 38.460 0.016 0.000 1.137 1256 Y HN 0.553 nan 8.280 nan 0.000 0.485 1257 L N 2.279 123.576 121.223 0.122 0.000 2.381 1257 L HA 0.808 5.149 4.340 0.001 0.000 0.268 1257 L C -3.068 173.840 176.870 0.062 0.000 0.997 1257 L CA -3.221 51.667 54.840 0.080 0.000 0.818 1257 L CB 0.945 43.035 42.059 0.052 0.000 1.310 1257 L HN 0.196 nan 8.230 nan 0.000 0.416 1258 P HA 0.246 nan 4.420 nan 0.000 0.266 1258 P C -0.909 176.390 177.300 -0.001 0.000 1.193 1258 P CA 0.305 63.419 63.100 0.024 0.000 0.770 1258 P CB 0.535 32.244 31.700 0.015 0.000 0.836 1259 A N 3.751 126.569 122.820 -0.003 0.000 2.303 1259 A HA 0.726 5.047 4.320 0.001 0.000 0.320 1259 A C -0.075 177.492 177.584 -0.028 0.000 1.192 1259 A CA -0.567 51.457 52.037 -0.022 0.000 0.821 1259 A CB 0.034 19.030 19.000 -0.007 0.000 1.188 1259 A HN 0.593 nan 8.150 nan 0.000 0.492 1260 I N -1.741 118.802 120.570 -0.045 0.000 3.264 1260 I HA 0.660 4.830 4.170 0.001 0.000 0.315 1260 I C -0.452 175.639 176.117 -0.043 0.000 1.154 1260 I CA -1.465 59.811 61.300 -0.039 0.000 0.962 1260 I CB 1.799 39.774 38.000 -0.041 0.000 1.265 1260 I HN 0.678 nan 8.210 nan 0.000 0.463 1261 K N 0.572 120.952 120.400 -0.033 0.000 3.653 1261 K HA -0.121 4.199 4.320 0.001 0.000 0.275 1261 K C -2.466 174.118 176.600 -0.026 0.000 0.962 1261 K CA 0.099 56.368 56.287 -0.030 0.000 0.773 1261 K CB -1.682 30.796 32.500 -0.037 0.000 1.463 1261 K HN 0.602 nan 8.250 nan 0.000 0.450 1262 P HA 0.160 nan 4.420 nan 0.000 0.285 1262 P C -0.932 176.357 177.300 -0.018 0.000 1.280 1262 P CA -0.625 62.465 63.100 -0.016 0.000 0.862 1262 P CB 1.069 32.764 31.700 -0.009 0.000 1.153 1263 E N 1.622 121.811 120.200 -0.019 0.000 2.129 1263 E HA 0.231 4.581 4.350 0.001 0.000 0.283 1263 E C -2.020 174.567 176.600 -0.021 0.000 1.080 1263 E CA -2.068 54.319 56.400 -0.020 0.000 0.867 1263 E CB 0.063 29.750 29.700 -0.022 0.000 1.056 1263 E HN 0.206 nan 8.360 nan 0.000 0.404 1264 P HA 0.055 nan 4.420 nan 0.000 0.267 1264 P C -1.009 176.274 177.300 -0.029 0.000 1.205 1264 P CA 0.358 63.448 63.100 -0.016 0.000 0.765 1264 P CB 0.605 32.301 31.700 -0.007 0.000 0.828 1265 R N 2.540 123.021 120.500 -0.032 0.000 2.867 1265 R HA 0.721 5.061 4.340 0.001 0.000 0.268 1265 R C -0.126 176.149 176.300 -0.042 0.000 1.014 1265 R CA -1.078 54.992 56.100 -0.049 0.000 0.946 1265 R CB 2.647 32.913 30.300 -0.057 0.000 1.208 1265 R HN 0.522 nan 8.270 nan 0.000 0.477 1266 R N -0.634 119.833 120.500 -0.055 0.000 2.668 1266 R HA 0.448 4.788 4.340 0.001 0.000 0.272 1266 R C -1.525 174.718 176.300 -0.094 0.000 1.019 1266 R CA -0.802 55.264 56.100 -0.057 0.000 0.894 1266 R CB 1.937 32.213 30.300 -0.040 0.000 1.228 1266 R HN 0.401 nan 8.270 nan 0.000 0.460 1267 T N 4.048 118.535 114.554 -0.110 0.000 2.756 1267 T HA 0.369 4.719 4.350 0.001 0.000 0.290 1267 T C 0.093 174.646 174.700 -0.245 0.000 0.985 1267 T CA -0.647 61.351 62.100 -0.169 0.000 0.955 1267 T CB 0.543 69.340 68.868 -0.118 0.000 0.930 1267 T HN 0.326 nan 8.240 nan 0.000 0.451 1268 I N 3.596 123.888 120.570 -0.464 0.000 2.371 1268 I HA 0.539 4.709 4.170 0.001 0.000 0.290 1268 I C 0.928 176.797 176.117 -0.413 0.000 1.028 1268 I CA -0.341 60.647 61.300 -0.519 0.000 1.345 1268 I CB 0.482 37.913 38.000 -0.947 0.000 1.407 1268 I HN 0.733 nan 8.210 nan 0.000 0.501 1269 G N 5.942 114.603 108.800 -0.233 0.000 2.642 1269 G HA2 0.635 4.595 3.960 0.001 0.000 0.293 1269 G HA3 0.635 4.595 3.960 0.001 0.000 0.293 1269 G C -1.583 173.258 174.900 -0.099 0.000 1.341 1269 G CA -0.668 44.344 45.100 -0.147 0.000 0.916 1269 G HN 0.516 nan 8.290 nan 0.000 0.474 1270 L N 0.977 122.170 121.223 -0.050 0.000 2.307 1270 L HA 0.782 5.122 4.340 0.001 0.000 0.282 1270 L C -0.817 176.026 176.870 -0.046 0.000 1.051 1270 L CA -0.766 54.062 54.840 -0.021 0.000 0.804 1270 L CB 1.595 43.685 42.059 0.052 0.000 1.197 1270 L HN 0.248 nan 8.230 nan 0.000 0.431 1271 V N 4.790 124.650 119.914 -0.091 0.000 2.638 1271 V HA 0.509 4.630 4.120 0.001 0.000 0.306 1271 V C -1.116 174.894 176.094 -0.140 0.000 1.052 1271 V CA -0.551 61.650 62.300 -0.166 0.000 0.885 1271 V CB 1.560 33.243 31.823 -0.233 0.000 0.999 1271 V HN 0.740 nan 8.190 nan 0.000 0.424 1272 Y N 1.530 121.771 120.300 -0.099 0.000 2.615 1272 Y HA 0.755 5.305 4.550 0.001 0.000 0.341 1272 Y C -0.210 175.749 175.900 0.099 0.000 1.089 1272 Y CA -1.796 56.225 58.100 -0.132 0.000 1.049 1272 Y CB 1.155 39.452 38.460 -0.271 0.000 1.296 1272 Y HN 0.487 nan 8.280 nan 0.000 0.470 1273 R N 2.931 123.653 120.500 0.370 0.000 2.538 1273 R HA 0.188 4.529 4.340 0.001 0.000 0.282 1273 R C -2.423 174.077 176.300 0.334 0.000 1.009 1273 R CA -1.346 54.967 56.100 0.356 0.000 1.063 1273 R CB 0.038 30.502 30.300 0.274 0.000 0.945 1273 R HN 0.479 nan 8.270 nan 0.000 0.414 1274 P HA 0.011 nan 4.420 nan 0.000 0.276 1274 P C 0.573 177.957 177.300 0.140 0.000 1.230 1274 P CA 0.372 63.548 63.100 0.127 0.000 0.776 1274 P CB 1.325 33.029 31.700 0.008 0.000 0.888 1275 G N 2.132 111.029 108.800 0.162 0.000 2.358 1275 G HA2 -0.293 3.668 3.960 0.001 0.000 0.224 1275 G HA3 -0.293 3.668 3.960 0.001 0.000 0.224 1275 G C 0.515 175.486 174.900 0.118 0.000 1.073 1275 G CA 0.241 45.407 45.100 0.111 0.000 0.635 1275 G HN 0.814 nan 8.290 nan 0.000 0.509 1276 S N 2.394 118.198 115.700 0.174 0.000 2.953 1276 S HA 0.180 4.651 4.470 0.001 0.000 0.348 1276 S C -0.147 174.479 174.600 0.044 0.000 1.215 1276 S CA 0.661 58.951 58.200 0.150 0.000 1.019 1276 S CB 0.765 64.144 63.200 0.297 0.000 0.726 1276 S HN 0.257 nan 8.310 nan 0.000 0.503 1277 P HA -0.035 nan 4.420 nan 0.000 0.219 1277 P C 0.646 177.864 177.300 -0.136 0.000 1.146 1277 P CA 1.021 64.092 63.100 -0.047 0.000 0.808 1277 P CB 0.076 31.758 31.700 -0.031 0.000 0.779 1278 L N -0.978 120.106 121.223 -0.232 0.000 2.688 1278 L HA 0.189 4.530 4.340 0.001 0.000 0.234 1278 L C 2.336 178.747 176.870 -0.765 0.000 1.192 1278 L CA -0.143 54.405 54.840 -0.487 0.000 0.984 1278 L CB -0.435 41.260 42.059 -0.607 0.000 1.232 1278 L HN -0.072 nan 8.230 nan 0.000 0.465 1279 R N 0.288 120.520 120.500 -0.447 0.000 2.133 1279 R HA -0.280 4.060 4.340 0.001 0.000 0.245 1279 R C 2.355 178.407 176.300 -0.414 0.000 1.137 1279 R CA 2.289 58.137 56.100 -0.420 0.000 0.947 1279 R CB -0.335 29.896 30.300 -0.115 0.000 0.865 1279 R HN 0.332 nan 8.270 nan 0.000 0.437 1280 S N 0.086 115.617 115.700 -0.281 0.000 2.370 1280 S HA -0.206 4.264 4.470 0.001 0.000 0.226 1280 S C 2.046 176.493 174.600 -0.254 0.000 1.033 1280 S CA 1.515 59.597 58.200 -0.197 0.000 1.011 1280 S CB -0.374 62.746 63.200 -0.134 0.000 0.852 1280 S HN 0.493 nan 8.310 nan 0.000 0.457 1281 R N -0.459 119.800 120.500 -0.402 0.000 2.132 1281 R HA -0.175 4.165 4.340 0.001 0.000 0.233 1281 R C 2.159 178.265 176.300 -0.324 0.000 1.125 1281 R CA 2.461 58.308 56.100 -0.422 0.000 0.914 1281 R CB -0.889 29.032 30.300 -0.633 0.000 0.845 1281 R HN 0.665 nan 8.270 nan 0.000 0.431 1282 Y N 0.495 120.627 120.300 -0.281 0.000 2.151 1282 Y HA -0.261 4.289 4.550 0.001 0.000 0.284 1282 Y C 2.712 178.518 175.900 -0.157 0.000 1.166 1282 Y CA 0.605 58.542 58.100 -0.271 0.000 1.163 1282 Y CB -0.189 37.943 38.460 -0.548 0.000 0.974 1282 Y HN 0.240 nan 8.280 nan 0.000 0.511 1283 E N 0.740 120.914 120.200 -0.044 0.000 2.049 1283 E HA -0.251 4.099 4.350 0.001 0.000 0.198 1283 E C 2.050 178.674 176.600 0.040 0.000 1.007 1283 E CA 1.467 57.890 56.400 0.038 0.000 0.809 1283 E CB -0.467 29.239 29.700 0.009 0.000 0.749 1283 E HN 0.638 nan 8.360 nan 0.000 0.450 1284 Q N -0.138 119.656 119.800 -0.009 0.000 2.124 1284 Q HA -0.138 4.203 4.340 0.001 0.000 0.202 1284 Q C 2.243 178.266 176.000 0.038 0.000 0.977 1284 Q CA 0.659 56.480 55.803 0.030 0.000 0.850 1284 Q CB -0.138 28.607 28.738 0.012 0.000 0.901 1284 Q HN 0.107 nan 8.270 nan 0.000 0.429 1285 L N 0.706 121.896 121.223 -0.055 0.000 1.994 1285 L HA -0.154 4.187 4.340 0.001 0.000 0.208 1285 L C 2.195 179.111 176.870 0.075 0.000 1.071 1285 L CA 2.206 57.017 54.840 -0.048 0.000 0.745 1285 L CB -0.980 41.045 42.059 -0.056 0.000 0.892 1285 L HN 0.141 nan 8.230 nan 0.000 0.431 1286 A N -1.391 121.486 122.820 0.095 0.000 1.972 1286 A HA -0.182 4.138 4.320 0.001 0.000 0.219 1286 A C 2.202 179.858 177.584 0.120 0.000 1.169 1286 A CA 1.468 53.574 52.037 0.115 0.000 0.635 1286 A CB -0.522 18.557 19.000 0.133 0.000 0.810 1286 A HN 0.490 nan 8.150 nan 0.000 0.446 1287 E N 0.228 120.499 120.200 0.118 0.000 2.023 1287 E HA -0.173 4.177 4.350 0.001 0.000 0.196 1287 E C 2.433 179.115 176.600 0.136 0.000 1.003 1287 E CA 1.398 57.870 56.400 0.119 0.000 0.809 1287 E CB -0.703 29.066 29.700 0.116 0.000 0.755 1287 E HN 0.478 nan 8.360 nan 0.000 0.449 1288 A N 1.295 124.221 122.820 0.177 0.000 1.884 1288 A HA -0.233 4.088 4.320 0.001 0.000 0.219 1288 A C 2.475 180.155 177.584 0.160 0.000 1.197 1288 A CA 2.009 54.165 52.037 0.199 0.000 0.637 1288 A CB -0.944 18.262 19.000 0.344 0.000 0.827 1288 A HN 0.296 nan 8.150 nan 0.000 0.450 1289 I N -1.463 119.205 120.570 0.162 0.000 2.127 1289 I HA -0.275 3.895 4.170 0.001 0.000 0.241 1289 I C 2.787 178.998 176.117 0.157 0.000 1.075 1289 I CA 1.735 63.127 61.300 0.155 0.000 1.334 1289 I CB -0.439 37.657 38.000 0.160 0.000 1.040 1289 I HN 0.350 nan 8.210 nan 0.000 0.405 1290 R N 0.871 121.467 120.500 0.160 0.000 2.103 1290 R HA -0.242 4.098 4.340 0.001 0.000 0.242 1290 R C 2.337 178.717 176.300 0.133 0.000 1.142 1290 R CA 1.832 58.031 56.100 0.165 0.000 0.960 1290 R CB -0.347 30.034 30.300 0.135 0.000 0.858 1290 R HN 0.426 nan 8.270 nan 0.000 0.439 1291 A N 1.138 124.025 122.820 0.111 0.000 1.834 1291 A HA -0.252 4.069 4.320 0.001 0.000 0.216 1291 A C 2.106 179.735 177.584 0.075 0.000 1.203 1291 A CA 1.873 53.962 52.037 0.087 0.000 0.621 1291 A CB -0.685 18.363 19.000 0.080 0.000 0.841 1291 A HN 0.277 nan 8.150 nan 0.000 0.446 1292 R N -0.980 119.564 120.500 0.073 0.000 2.170 1292 R HA -0.072 4.269 4.340 0.001 0.000 0.242 1292 R C 1.556 177.869 176.300 0.022 0.000 1.145 1292 R CA 1.936 58.067 56.100 0.052 0.000 0.984 1292 R CB -0.417 29.918 30.300 0.059 0.000 0.869 1292 R HN 0.447 nan 8.270 nan 0.000 0.455 1293 M N 0.275 119.886 119.600 0.018 0.000 2.428 1293 M HA 0.120 4.601 4.480 0.001 0.000 0.239 1293 M C -0.237 176.078 176.300 0.026 0.000 1.121 1293 M CA -0.224 55.028 55.300 -0.081 0.000 1.019 1293 M CB -0.712 31.797 32.600 -0.151 0.000 1.485 1293 M HN -0.033 nan 8.290 nan 0.000 0.484 1294 D N 1.299 121.747 120.400 0.080 0.000 2.434 1294 D HA 0.289 4.929 4.640 0.001 0.000 0.252 1294 D C 0.926 177.281 176.300 0.091 0.000 1.185 1294 D CA 1.193 55.255 54.000 0.103 0.000 0.886 1294 D CB 0.374 41.227 40.800 0.088 0.000 1.148 1294 D HN 0.548 nan 8.370 nan 0.000 0.483 1295 G N 3.639 112.514 108.800 0.125 0.000 2.351 1295 G HA2 -0.320 3.641 3.960 0.001 0.000 0.297 1295 G HA3 -0.320 3.641 3.960 0.001 0.000 0.297 1295 G C 0.531 175.464 174.900 0.055 0.000 1.054 1295 G CA 0.769 45.931 45.100 0.103 0.000 1.123 1295 G HN 0.806 nan 8.290 nan 0.000 0.512 1296 H N -0.810 118.226 119.070 -0.057 0.000 2.622 1296 H HA 0.461 5.018 4.556 0.002 0.000 0.269 1296 H C 0.799 175.766 175.328 -0.602 0.000 0.977 1296 H CA 0.213 56.021 56.048 -0.399 0.000 1.179 1296 H CB 0.222 29.564 29.762 -0.700 0.000 1.458 1296 H HN 0.353 nan 8.280 nan 0.000 0.531 1297 F N 1.375 121.283 119.950 -0.070 0.000 2.627 1297 F HA 0.359 4.886 4.527 0.000 0.000 0.329 1297 F C -0.511 175.253 175.800 -0.060 0.000 1.378 1297 F CA -0.870 57.083 58.000 -0.078 0.000 1.134 1297 F CB 0.365 39.356 39.000 -0.015 0.000 1.229 1297 F HN 0.032 nan 8.300 nan 0.000 0.537 1298 D N 0.000 120.410 120.400 0.016 0.000 6.856 1298 D HA 0.000 4.641 4.640 0.001 0.000 0.175 1298 D CA 0.000 54.010 54.000 0.016 0.000 0.868 1298 D CB 0.000 40.814 40.800 0.023 0.000 0.688 1298 D HN 0.000 nan 8.370 nan 0.000 0.683