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 2x4y_1_C DATA FIRST_RESID 1080 DATA SEQUENCE DSPLDALDLV WAKCRGYPSY PALIIDPKMP REGMFHHGVP IPVPPLEVLK DATA SEQUENCE LGEQMTQEAR EHLYLVLFFD NKRTWQWLPR TKLVPLGVNQ DLDKEKMLEG DATA SEQUENCE RKSNIRKSVQ IAYHRALQHR SKVQG 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 1080 D HA 0.000 nan 4.640 nan 0.000 0.175 1080 D C 0.000 176.330 176.300 0.050 0.000 2.045 1080 D CA 0.000 54.026 54.000 0.043 0.000 0.868 1080 D CB 0.000 40.821 40.800 0.035 0.000 0.688 1081 S N 0.328 116.054 115.700 0.044 0.000 2.600 1081 S HA 0.639 5.111 4.470 0.004 0.000 0.265 1081 S C -2.551 172.089 174.600 0.065 0.000 1.325 1081 S CA -0.854 57.374 58.200 0.048 0.000 1.002 1081 S CB 0.228 63.450 63.200 0.037 0.000 0.921 1081 S HN 0.165 nan 8.310 nan 0.000 0.554 1082 P HA 0.306 nan 4.420 nan 0.000 0.269 1082 P C -0.771 176.595 177.300 0.110 0.000 1.215 1082 P CA -0.269 62.915 63.100 0.141 0.000 0.780 1082 P CB 0.288 32.042 31.700 0.091 0.000 0.898 1083 L N 1.533 122.841 121.223 0.142 0.000 2.332 1083 L HA 0.496 4.838 4.340 0.004 0.000 0.269 1083 L C 0.267 177.222 176.870 0.142 0.000 1.016 1083 L CA -0.811 54.050 54.840 0.034 0.000 0.809 1083 L CB 1.223 43.146 42.059 -0.227 0.000 1.280 1083 L HN 0.241 nan 8.230 nan 0.000 0.447 1084 D N 0.268 120.716 120.400 0.079 0.000 2.269 1084 D HA 0.458 5.100 4.640 0.004 0.000 0.244 1084 D C -0.288 176.056 176.300 0.074 0.000 0.992 1084 D CA -0.332 53.721 54.000 0.089 0.000 0.894 1084 D CB 2.130 42.962 40.800 0.052 0.000 1.248 1084 D HN 0.567 nan 8.370 nan 0.000 0.468 1085 A N 1.217 124.077 122.820 0.066 0.000 2.531 1085 A HA 0.250 4.572 4.320 0.004 0.000 0.236 1085 A C 1.226 178.793 177.584 -0.029 0.000 1.062 1085 A CA 0.217 52.268 52.037 0.024 0.000 0.760 1085 A CB -0.289 18.712 19.000 0.001 0.000 0.995 1085 A HN 0.798 nan 8.150 nan 0.000 0.501 1086 L N -0.673 120.529 121.223 -0.035 0.000 4.950 1086 L HA -0.191 4.151 4.340 0.004 0.000 0.413 1086 L C -0.330 176.575 176.870 0.059 0.000 1.020 1086 L CA 0.524 55.352 54.840 -0.019 0.000 1.239 1086 L CB -2.033 39.919 42.059 -0.178 0.000 2.004 1086 L HN 0.673 nan 8.230 nan 0.000 0.658 1087 D N 1.176 121.593 120.400 0.029 0.000 2.382 1087 D HA 0.508 5.151 4.640 0.004 0.000 0.245 1087 D C 0.346 176.651 176.300 0.008 0.000 1.120 1087 D CA -0.024 53.995 54.000 0.032 0.000 0.890 1087 D CB 0.975 41.775 40.800 0.001 0.000 1.201 1087 D HN 0.103 nan 8.370 nan 0.000 0.433 1088 L N 1.782 123.013 121.223 0.013 0.000 2.350 1088 L HA 0.470 4.813 4.340 0.004 0.000 0.275 1088 L C 0.147 176.974 176.870 -0.073 0.000 1.099 1088 L CA -0.650 54.173 54.840 -0.027 0.000 0.808 1088 L CB 1.009 43.028 42.059 -0.066 0.000 1.149 1088 L HN 0.162 nan 8.230 nan 0.000 0.442 1089 V N -1.313 118.535 119.914 -0.111 0.000 3.114 1089 V HA 0.496 4.619 4.120 0.004 0.000 0.308 1089 V C -1.513 174.491 176.094 -0.150 0.000 1.168 1089 V CA -1.122 61.126 62.300 -0.086 0.000 1.015 1089 V CB 1.705 33.496 31.823 -0.054 0.000 1.050 1089 V HN 0.671 nan 8.190 nan 0.000 0.433 1090 W N 1.490 122.829 121.300 0.064 0.000 2.335 1090 W HA 0.762 5.424 4.660 0.003 0.000 0.306 1090 W C 0.361 176.945 176.519 0.108 0.000 1.216 1090 W CA 0.119 57.525 57.345 0.101 0.000 1.237 1090 W CB 1.456 30.961 29.460 0.074 0.000 1.243 1090 W HN 0.959 nan 8.180 nan 0.000 0.493 1091 A N 3.958 127.014 122.820 0.392 0.000 2.304 1091 A HA 0.620 4.943 4.320 0.004 0.000 0.314 1091 A C -0.988 176.840 177.584 0.407 0.000 1.187 1091 A CA -0.977 51.246 52.037 0.310 0.000 0.810 1091 A CB 1.015 20.119 19.000 0.174 0.000 1.183 1091 A HN 0.477 nan 8.150 nan 0.000 0.487 1092 K N 2.185 122.766 120.400 0.301 0.000 2.316 1092 K HA 0.542 4.865 4.320 0.004 0.000 0.267 1092 K C -1.098 175.656 176.600 0.256 0.000 1.025 1092 K CA -0.076 56.373 56.287 0.271 0.000 0.896 1092 K CB 0.470 33.088 32.500 0.197 0.000 1.124 1092 K HN 0.657 nan 8.250 nan 0.000 0.451 1093 C N 3.337 122.808 119.300 0.285 0.000 2.365 1093 C HA 0.473 4.935 4.460 0.004 0.000 0.349 1093 C C 0.139 175.261 174.990 0.218 0.000 1.191 1093 C CA -0.919 58.263 59.018 0.273 0.000 2.114 1093 C CB 0.845 28.793 27.740 0.347 0.000 2.367 1093 C HN 0.881 nan 8.230 nan 0.000 0.530 1094 R N 0.797 121.385 120.500 0.147 0.000 2.538 1094 R HA 0.337 4.679 4.340 0.004 0.000 0.282 1094 R C 1.335 177.609 176.300 -0.043 0.000 1.009 1094 R CA 1.638 57.773 56.100 0.058 0.000 1.063 1094 R CB -0.194 30.127 30.300 0.034 0.000 0.945 1094 R HN 1.178 nan 8.270 nan 0.000 0.414 1095 G N 2.756 111.516 108.800 -0.068 0.000 2.320 1095 G HA2 -0.315 3.647 3.960 0.004 0.000 0.242 1095 G HA3 -0.315 3.647 3.960 0.004 0.000 0.242 1095 G C -0.551 174.239 174.900 -0.184 0.000 1.033 1095 G CA 0.227 45.215 45.100 -0.187 0.000 0.620 1095 G HN 0.582 nan 8.290 nan 0.000 0.517 1096 Y N 2.141 122.454 120.300 0.022 0.000 2.419 1096 Y HA 0.601 5.153 4.550 0.004 0.000 0.328 1096 Y C -1.703 174.239 175.900 0.070 0.000 1.162 1096 Y CA -2.311 55.807 58.100 0.030 0.000 1.174 1096 Y CB 1.236 39.689 38.460 -0.012 0.000 1.228 1096 Y HN 0.016 nan 8.280 nan 0.000 0.473 1097 P HA 0.117 nan 4.420 nan 0.000 0.274 1097 P C -0.648 176.812 177.300 0.266 0.000 1.256 1097 P CA -0.531 62.686 63.100 0.195 0.000 0.795 1097 P CB 0.565 32.357 31.700 0.153 0.000 1.038 1098 S N 0.060 115.895 115.700 0.224 0.000 2.558 1098 S HA 0.074 4.546 4.470 0.004 0.000 0.288 1098 S C -0.439 174.499 174.600 0.564 0.000 1.318 1098 S CA 0.570 58.986 58.200 0.361 0.000 1.056 1098 S CB -0.603 62.743 63.200 0.244 0.000 0.853 1098 S HN 0.377 nan 8.310 nan 0.000 0.505 1099 Y N 2.919 123.502 120.300 0.472 0.000 2.442 1099 Y HA 0.393 4.945 4.550 0.004 0.000 0.344 1099 Y C -2.676 173.395 175.900 0.284 0.000 0.976 1099 Y CA -2.353 55.961 58.100 0.356 0.000 1.040 1099 Y CB 1.645 40.174 38.460 0.115 0.000 1.228 1099 Y HN 0.428 nan 8.280 nan 0.000 0.451 1100 P HA 0.296 nan 4.420 nan 0.000 0.265 1100 P C -1.260 176.221 177.300 0.301 0.000 1.193 1100 P CA 0.546 63.544 63.100 -0.168 0.000 0.765 1100 P CB 0.731 32.200 31.700 -0.385 0.000 0.823 1101 A N 2.904 125.807 122.820 0.138 0.000 2.581 1101 A HA 0.724 5.046 4.320 0.004 0.000 0.290 1101 A C -2.019 175.498 177.584 -0.112 0.000 1.119 1101 A CA -0.507 51.487 52.037 -0.073 0.000 0.670 1101 A CB 0.929 19.673 19.000 -0.427 0.000 1.280 1101 A HN 0.460 nan 8.150 nan 0.000 0.425 1102 L N 0.877 121.865 121.223 -0.392 0.000 2.356 1102 L HA 0.669 5.012 4.340 0.004 0.000 0.277 1102 L C -0.870 175.840 176.870 -0.267 0.000 0.996 1102 L CA -0.387 54.276 54.840 -0.294 0.000 0.822 1102 L CB 1.181 42.953 42.059 -0.478 0.000 1.256 1102 L HN 0.590 nan 8.230 nan 0.000 0.413 1103 I N 5.738 126.218 120.570 -0.149 0.000 2.496 1103 I HA 0.221 4.393 4.170 0.004 0.000 0.285 1103 I C -0.280 175.798 176.117 -0.065 0.000 1.080 1103 I CA -0.050 61.196 61.300 -0.091 0.000 1.404 1103 I CB 0.553 38.543 38.000 -0.017 0.000 1.403 1103 I HN 0.377 nan 8.210 nan 0.000 0.539 1104 I N 4.914 125.455 120.570 -0.049 0.000 2.474 1104 I HA 0.194 4.366 4.170 0.004 0.000 0.294 1104 I C -0.197 175.918 176.117 -0.003 0.000 1.005 1104 I CA -0.534 60.757 61.300 -0.016 0.000 1.113 1104 I CB 1.749 39.795 38.000 0.077 0.000 1.289 1104 I HN 0.494 nan 8.210 nan 0.000 0.436 1105 D N 8.189 128.590 120.400 0.002 0.000 2.339 1105 D HA 0.203 4.845 4.640 0.004 0.000 0.256 1105 D C -1.729 174.574 176.300 0.005 0.000 1.214 1105 D CA -1.835 52.174 54.000 0.016 0.000 0.877 1105 D CB 1.543 42.347 40.800 0.006 0.000 1.111 1105 D HN 0.153 nan 8.370 nan 0.000 0.478 1106 P HA -0.108 nan 4.420 nan 0.000 0.223 1106 P C 0.539 177.852 177.300 0.023 0.000 1.144 1106 P CA 1.033 64.160 63.100 0.045 0.000 0.783 1106 P CB 0.257 32.075 31.700 0.197 0.000 0.771 1107 K N -0.672 119.740 120.400 0.020 0.000 2.397 1107 K HA 0.180 4.502 4.320 0.004 0.000 0.202 1107 K C 1.017 177.615 176.600 -0.004 0.000 1.022 1107 K CA -0.124 56.167 56.287 0.008 0.000 1.141 1107 K CB -0.239 32.270 32.500 0.014 0.000 0.857 1107 K HN 0.360 nan 8.250 nan 0.000 0.514 1108 M N 0.906 120.499 119.600 -0.011 0.000 2.245 1108 M HA 0.168 4.651 4.480 0.004 0.000 0.312 1108 M C -2.329 173.959 176.300 -0.019 0.000 1.070 1108 M CA -1.131 54.158 55.300 -0.018 0.000 1.162 1108 M CB -0.706 31.880 32.600 -0.024 0.000 1.448 1108 M HN -0.305 nan 8.290 nan 0.000 0.446 1109 P HA 0.064 nan 4.420 nan 0.000 0.264 1109 P C -0.031 177.257 177.300 -0.020 0.000 1.193 1109 P CA -0.110 62.982 63.100 -0.013 0.000 0.763 1109 P CB 0.397 32.093 31.700 -0.006 0.000 0.810 1110 R N 2.694 123.182 120.500 -0.019 0.000 2.193 1110 R HA -0.119 4.224 4.340 0.004 0.000 0.229 1110 R C 0.987 177.275 176.300 -0.020 0.000 1.110 1110 R CA 1.244 57.329 56.100 -0.024 0.000 0.988 1110 R CB -0.501 29.785 30.300 -0.022 0.000 0.871 1110 R HN 0.571 nan 8.270 nan 0.000 0.458 1111 E N -0.178 120.014 120.200 -0.013 0.000 2.482 1111 E HA 0.147 4.499 4.350 0.004 0.000 0.196 1111 E C 0.783 177.369 176.600 -0.024 0.000 1.047 1111 E CA 0.574 56.970 56.400 -0.006 0.000 0.869 1111 E CB 0.147 29.854 29.700 0.011 0.000 0.836 1111 E HN 0.436 nan 8.360 nan 0.000 0.520 1112 G N 0.407 109.181 108.800 -0.044 0.000 2.592 1112 G HA2 0.038 4.000 3.960 0.004 0.000 0.684 1112 G HA3 0.038 4.000 3.960 0.004 0.000 0.684 1112 G C -0.588 174.251 174.900 -0.103 0.000 1.291 1112 G CA -0.436 44.605 45.100 -0.098 0.000 0.891 1112 G HN 0.188 nan 8.290 nan 0.000 0.544 1113 M N -2.244 117.233 119.600 -0.206 0.000 2.732 1113 M HA 0.823 5.306 4.480 0.004 0.000 0.272 1113 M C -1.542 174.571 176.300 -0.311 0.000 1.203 1113 M CA -0.965 54.260 55.300 -0.126 0.000 0.841 1113 M CB 1.642 34.219 32.600 -0.039 0.000 1.685 1113 M HN 0.576 nan 8.290 nan 0.000 0.492 1114 F N 0.164 120.131 119.950 0.029 0.000 2.469 1114 F HA 0.464 4.993 4.527 0.004 0.000 0.332 1114 F C -0.118 175.723 175.800 0.069 0.000 1.103 1114 F CA -0.314 57.715 58.000 0.048 0.000 0.979 1114 F CB 1.417 40.438 39.000 0.035 0.000 1.137 1114 F HN 0.635 nan 8.300 nan 0.000 0.463 1115 H N 4.037 123.169 119.070 0.104 0.000 2.685 1115 H HA 0.157 4.716 4.556 0.004 0.000 0.286 1115 H C -0.317 175.021 175.328 0.017 0.000 1.102 1115 H CA -0.505 55.529 56.048 -0.023 0.000 1.254 1115 H CB -0.097 29.668 29.762 0.005 0.000 1.397 1115 H HN 0.642 nan 8.280 nan 0.000 0.473 1116 H N 3.702 122.836 119.070 0.107 0.000 2.626 1116 H HA -0.202 4.356 4.556 0.004 0.000 0.317 1116 H C 1.460 176.789 175.328 0.002 0.000 1.140 1116 H CA 1.271 57.307 56.048 -0.019 0.000 1.134 1116 H CB -1.520 28.140 29.762 -0.169 0.000 1.486 1116 H HN 1.144 nan 8.280 nan 0.000 0.417 1117 G N -1.738 107.157 108.800 0.158 0.000 2.225 1117 G HA2 -0.319 3.643 3.960 0.004 0.000 0.254 1117 G HA3 -0.319 3.643 3.960 0.004 0.000 0.254 1117 G C 0.299 175.375 174.900 0.294 0.000 0.988 1117 G CA 0.156 45.321 45.100 0.107 0.000 0.625 1117 G HN 0.512 nan 8.290 nan 0.000 0.527 1118 V N 3.223 123.307 119.914 0.283 0.000 2.407 1118 V HA 0.501 4.624 4.120 0.004 0.000 0.278 1118 V C -1.723 174.517 176.094 0.243 0.000 1.037 1118 V CA -1.582 60.858 62.300 0.234 0.000 0.900 1118 V CB 1.578 33.434 31.823 0.057 0.000 0.983 1118 V HN 0.182 nan 8.190 nan 0.000 0.459 1119 P HA 0.282 nan 4.420 nan 0.000 0.276 1119 P C -0.844 176.374 177.300 -0.137 0.000 1.243 1119 P CA -0.200 62.709 63.100 -0.317 0.000 0.768 1119 P CB 0.652 32.189 31.700 -0.273 0.000 0.856 1120 I N 5.544 126.009 120.570 -0.175 0.000 2.336 1120 I HA 0.308 4.480 4.170 0.004 0.000 0.292 1120 I C -2.058 174.015 176.117 -0.072 0.000 0.991 1120 I CA -3.191 58.069 61.300 -0.066 0.000 1.227 1120 I CB 0.483 38.463 38.000 -0.032 0.000 1.366 1120 I HN 0.120 nan 8.210 nan 0.000 0.466 1121 P HA 0.101 nan 4.420 nan 0.000 0.268 1121 P C -0.326 177.054 177.300 0.134 0.000 1.205 1121 P CA -0.148 62.969 63.100 0.029 0.000 0.771 1121 P CB 0.619 32.316 31.700 -0.005 0.000 0.858 1122 V N 6.239 126.215 119.914 0.103 0.000 2.461 1122 V HA 0.212 4.335 4.120 0.004 0.000 0.275 1122 V C -1.858 174.241 176.094 0.007 0.000 1.047 1122 V CA -1.523 60.807 62.300 0.051 0.000 0.955 1122 V CB 0.683 32.499 31.823 -0.011 0.000 0.988 1122 V HN 0.573 nan 8.190 nan 0.000 0.471 1123 P HA 0.260 nan 4.420 nan 0.000 0.271 1123 P C -2.658 174.363 177.300 -0.465 0.000 1.220 1123 P CA -1.433 61.157 63.100 -0.850 0.000 0.768 1123 P CB -0.058 31.146 31.700 -0.827 0.000 0.848 1124 P HA 0.100 nan 4.420 nan 0.000 0.269 1124 P C 1.215 178.398 177.300 -0.196 0.000 1.209 1124 P CA -0.039 62.921 63.100 -0.233 0.000 0.776 1124 P CB 0.420 32.005 31.700 -0.192 0.000 0.876 1125 L N 1.630 122.785 121.223 -0.113 0.000 2.081 1125 L HA -0.250 4.093 4.340 0.004 0.000 0.212 1125 L C 2.286 179.113 176.870 -0.071 0.000 1.080 1125 L CA 1.613 56.404 54.840 -0.081 0.000 0.754 1125 L CB -0.935 41.091 42.059 -0.055 0.000 0.893 1125 L HN 0.510 nan 8.230 nan 0.000 0.433 1126 E N 0.192 120.350 120.200 -0.070 0.000 2.106 1126 E HA -0.147 4.206 4.350 0.004 0.000 0.192 1126 E C 2.288 178.868 176.600 -0.033 0.000 0.984 1126 E CA 1.320 57.693 56.400 -0.045 0.000 0.806 1126 E CB -0.845 28.836 29.700 -0.030 0.000 0.750 1126 E HN 0.366 nan 8.360 nan 0.000 0.458 1127 V N 2.210 122.076 119.914 -0.081 0.000 2.295 1127 V HA -0.248 3.874 4.120 0.004 0.000 0.246 1127 V C 2.692 178.899 176.094 0.189 0.000 1.049 1127 V CA 1.595 63.882 62.300 -0.023 0.000 1.024 1127 V CB -0.610 30.969 31.823 -0.408 0.000 0.648 1127 V HN 0.188 nan 8.190 nan 0.000 0.447 1128 L N -0.166 121.100 121.223 0.071 0.000 2.046 1128 L HA -0.230 4.112 4.340 0.004 0.000 0.208 1128 L C 2.589 179.434 176.870 -0.042 0.000 1.077 1128 L CA 2.021 56.933 54.840 0.120 0.000 0.747 1128 L CB -0.737 41.334 42.059 0.020 0.000 0.896 1128 L HN 0.334 nan 8.230 nan 0.000 0.432 1129 K N 0.750 121.118 120.400 -0.054 0.000 2.057 1129 K HA -0.199 4.123 4.320 0.004 0.000 0.207 1129 K C 2.228 178.744 176.600 -0.140 0.000 1.049 1129 K CA 1.238 57.470 56.287 -0.093 0.000 0.931 1129 K CB -0.072 32.391 32.500 -0.061 0.000 0.714 1129 K HN 0.250 nan 8.250 nan 0.000 0.440 1130 L N 0.473 121.638 121.223 -0.096 0.000 2.046 1130 L HA -0.134 4.208 4.340 0.004 0.000 0.208 1130 L C 2.296 178.916 176.870 -0.417 0.000 1.077 1130 L CA 1.806 56.569 54.840 -0.128 0.000 0.747 1130 L CB -0.787 41.299 42.059 0.045 0.000 0.896 1130 L HN 0.465 nan 8.230 nan 0.000 0.432 1131 G N -0.853 107.475 108.800 -0.786 0.000 2.421 1131 G HA2 -0.329 3.634 3.960 0.004 0.000 0.216 1131 G HA3 -0.329 3.634 3.960 0.004 0.000 0.216 1131 G C 1.369 175.654 174.900 -1.026 0.000 1.171 1131 G CA 0.805 44.728 45.100 -1.962 0.000 0.775 1131 G HN 0.464 nan 8.290 nan 0.000 0.543 1132 E N 0.169 119.996 120.200 -0.622 0.000 2.070 1132 E HA -0.240 4.112 4.350 0.004 0.000 0.197 1132 E C 2.584 179.009 176.600 -0.292 0.000 1.004 1132 E CA 1.553 57.729 56.400 -0.373 0.000 0.805 1132 E CB -0.109 29.447 29.700 -0.241 0.000 0.744 1132 E HN 0.611 nan 8.360 nan 0.000 0.451 1133 Q N -0.442 119.203 119.800 -0.258 0.000 2.079 1133 Q HA -0.140 4.202 4.340 0.004 0.000 0.200 1133 Q C 2.243 178.135 176.000 -0.179 0.000 0.974 1133 Q CA 1.765 57.462 55.803 -0.177 0.000 0.840 1133 Q CB -0.090 28.569 28.738 -0.132 0.000 0.898 1133 Q HN 0.391 nan 8.270 nan 0.000 0.430 1134 M N -0.335 119.119 119.600 -0.244 0.000 2.254 1134 M HA -0.099 4.383 4.480 0.004 0.000 0.265 1134 M C 1.986 178.174 176.300 -0.186 0.000 1.066 1134 M CA 1.115 56.303 55.300 -0.187 0.000 1.123 1134 M CB -0.115 32.371 32.600 -0.190 0.000 1.388 1134 M HN 0.146 nan 8.290 nan 0.000 0.425 1135 T N 0.345 114.736 114.554 -0.273 0.000 2.777 1135 T HA -0.130 4.223 4.350 0.004 0.000 0.266 1135 T C 1.836 176.455 174.700 -0.135 0.000 1.040 1135 T CA 1.182 63.152 62.100 -0.217 0.000 1.141 1135 T CB -0.152 68.542 68.868 -0.289 0.000 0.868 1135 T HN 0.445 nan 8.240 nan 0.000 0.444 1136 Q N 0.689 120.407 119.800 -0.137 0.000 2.084 1136 Q HA -0.172 4.171 4.340 0.004 0.000 0.202 1136 Q C 2.513 178.473 176.000 -0.067 0.000 0.978 1136 Q CA 1.599 57.347 55.803 -0.092 0.000 0.844 1136 Q CB -0.171 28.512 28.738 -0.091 0.000 0.898 1136 Q HN 0.747 nan 8.270 nan 0.000 0.426 1137 E N 0.170 120.329 120.200 -0.069 0.000 2.152 1137 E HA -0.105 4.247 4.350 0.004 0.000 0.192 1137 E C 1.765 178.347 176.600 -0.030 0.000 0.983 1137 E CA 0.997 57.371 56.400 -0.045 0.000 0.818 1137 E CB -0.099 29.576 29.700 -0.041 0.000 0.758 1137 E HN 0.253 nan 8.360 nan 0.000 0.467 1138 A N 1.117 123.916 122.820 -0.034 0.000 2.072 1138 A HA 0.095 4.417 4.320 0.004 0.000 0.216 1138 A C 1.084 178.664 177.584 -0.007 0.000 1.156 1138 A CA 0.578 52.608 52.037 -0.012 0.000 0.701 1138 A CB -0.233 18.765 19.000 -0.003 0.000 0.816 1138 A HN 0.201 nan 8.150 nan 0.000 0.458 1139 R N -0.347 120.141 120.500 -0.021 0.000 3.416 1139 R HA -0.178 4.164 4.340 0.004 0.000 0.263 1139 R C -0.536 175.768 176.300 0.007 0.000 1.053 1139 R CA 1.332 57.425 56.100 -0.011 0.000 0.705 1139 R CB -1.988 28.309 30.300 -0.005 0.000 1.124 1139 R HN 0.911 nan 8.270 nan 0.000 0.444 1140 E N -2.480 117.724 120.200 0.007 0.000 2.392 1140 E HA 0.303 4.655 4.350 0.004 0.000 0.279 1140 E C -1.126 175.499 176.600 0.041 0.000 0.964 1140 E CA -1.263 55.163 56.400 0.044 0.000 0.777 1140 E CB 0.921 30.659 29.700 0.062 0.000 1.249 1140 E HN 0.249 nan 8.360 nan 0.000 0.449 1141 H N 1.894 120.954 119.070 -0.015 0.000 2.848 1141 H HA 0.289 4.848 4.556 0.005 0.000 0.317 1141 H C -0.904 174.405 175.328 -0.032 0.000 1.046 1141 H CA 0.176 56.186 56.048 -0.063 0.000 1.470 1141 H CB 0.474 30.168 29.762 -0.113 0.000 1.483 1141 H HN 0.352 nan 8.280 nan 0.000 0.548 1142 L N 6.192 127.120 121.223 -0.492 0.000 2.307 1142 L HA 0.285 4.627 4.340 0.004 0.000 0.284 1142 L C -0.678 176.086 176.870 -0.178 0.000 1.023 1142 L CA -0.949 53.811 54.840 -0.133 0.000 0.810 1142 L CB 1.032 43.148 42.059 0.096 0.000 1.231 1142 L HN 0.643 nan 8.230 nan 0.000 0.423 1143 Y N 2.404 122.774 120.300 0.117 0.000 2.299 1143 Y HA 0.301 4.853 4.550 0.004 0.000 0.326 1143 Y C 0.129 176.011 175.900 -0.029 0.000 1.164 1143 Y CA -0.440 57.716 58.100 0.094 0.000 1.234 1143 Y CB 1.467 39.978 38.460 0.084 0.000 1.219 1143 Y HN 0.350 nan 8.280 nan 0.000 0.497 1144 L N 5.496 126.616 121.223 -0.171 0.000 2.290 1144 L HA 0.566 4.908 4.340 0.004 0.000 0.284 1144 L C -0.548 176.133 176.870 -0.314 0.000 1.078 1144 L CA -0.551 53.862 54.840 -0.712 0.000 0.815 1144 L CB 0.308 41.782 42.059 -0.975 0.000 1.162 1144 L HN 0.433 nan 8.230 nan 0.000 0.435 1145 V N 3.769 123.473 119.914 -0.350 0.000 2.864 1145 V HA 0.685 4.808 4.120 0.004 0.000 0.314 1145 V C -1.036 174.731 176.094 -0.544 0.000 1.073 1145 V CA -0.981 61.072 62.300 -0.413 0.000 0.956 1145 V CB 1.836 33.351 31.823 -0.513 0.000 1.023 1145 V HN 0.781 nan 8.190 nan 0.000 0.435 1146 L N 3.894 124.692 121.223 -0.708 0.000 2.319 1146 L HA 0.707 5.049 4.340 0.004 0.000 0.281 1146 L C -0.771 175.569 176.870 -0.884 0.000 1.005 1146 L CA -0.225 54.024 54.840 -0.986 0.000 0.828 1146 L CB 0.950 42.307 42.059 -1.170 0.000 1.227 1146 L HN 0.669 nan 8.230 nan 0.000 0.415 1147 F N 4.164 123.787 119.950 -0.546 0.000 2.410 1147 F HA 0.222 4.751 4.527 0.004 0.000 0.334 1147 F C 0.628 176.176 175.800 -0.419 0.000 1.134 1147 F CA 0.357 58.144 58.000 -0.356 0.000 1.227 1147 F CB 0.397 39.212 39.000 -0.308 0.000 1.194 1147 F HN 0.382 nan 8.300 nan 0.000 0.571 1148 F N 0.883 120.917 119.950 0.140 0.000 2.777 1148 F HA 0.095 4.624 4.527 0.004 0.000 0.291 1148 F C 0.637 176.530 175.800 0.156 0.000 1.187 1148 F CA -0.785 57.241 58.000 0.042 0.000 1.406 1148 F CB -1.122 37.856 39.000 -0.037 0.000 0.982 1148 F HN 0.313 nan 8.300 nan 0.000 0.509 1149 D N -1.871 118.696 120.400 0.279 0.000 2.411 1149 D HA 0.004 4.647 4.640 0.004 0.000 0.251 1149 D C 1.067 177.404 176.300 0.061 0.000 1.201 1149 D CA -0.329 53.774 54.000 0.173 0.000 0.996 1149 D CB 0.499 41.207 40.800 -0.154 0.000 1.101 1149 D HN -0.131 nan 8.370 nan 0.000 0.504 1150 N N 0.201 118.926 118.700 0.042 0.000 2.061 1150 N HA -0.182 4.561 4.740 0.004 0.000 0.193 1150 N C 1.181 176.683 175.510 -0.013 0.000 1.030 1150 N CA 1.382 54.445 53.050 0.022 0.000 0.856 1150 N CB -0.210 38.288 38.487 0.018 0.000 1.023 1150 N HN 0.521 nan 8.380 nan 0.000 0.424 1151 K N 0.462 120.836 120.400 -0.044 0.000 2.444 1151 K HA 0.163 4.486 4.320 0.004 0.000 0.193 1151 K C -0.343 176.199 176.600 -0.096 0.000 1.024 1151 K CA -0.177 56.078 56.287 -0.054 0.000 1.077 1151 K CB 0.458 32.930 32.500 -0.047 0.000 0.833 1151 K HN -0.031 nan 8.250 nan 0.000 0.517 1152 R N 1.429 121.848 120.500 -0.134 0.000 3.084 1152 R HA -0.102 4.240 4.340 0.004 0.000 0.258 1152 R C -0.302 175.785 176.300 -0.354 0.000 0.914 1152 R CA 1.002 56.945 56.100 -0.261 0.000 0.646 1152 R CB -3.060 27.064 30.300 -0.293 0.000 1.330 1152 R HN 0.516 nan 8.270 nan 0.000 0.465 1153 T N -2.609 111.808 114.554 -0.229 0.000 2.874 1153 T HA 0.628 4.981 4.350 0.004 0.000 0.281 1153 T C 0.461 175.051 174.700 -0.182 0.000 0.994 1153 T CA -0.682 61.335 62.100 -0.139 0.000 1.015 1153 T CB 1.455 70.299 68.868 -0.039 0.000 1.028 1153 T HN 0.354 nan 8.240 nan 0.000 0.523 1154 W N 0.288 121.590 121.300 0.004 0.000 2.578 1154 W HA 0.701 5.363 4.660 0.004 0.000 0.353 1154 W C 0.159 176.651 176.519 -0.046 0.000 1.088 1154 W CA -0.495 56.777 57.345 -0.121 0.000 1.235 1154 W CB 1.543 30.893 29.460 -0.182 0.000 1.362 1154 W HN 0.733 nan 8.180 nan 0.000 0.592 1155 Q N 0.654 120.487 119.800 0.055 0.000 2.522 1155 Q HA 0.395 4.737 4.340 0.004 0.000 0.285 1155 Q C -2.206 173.729 176.000 -0.108 0.000 0.982 1155 Q CA -1.029 54.833 55.803 0.099 0.000 0.805 1155 Q CB 1.273 30.191 28.738 0.299 0.000 1.457 1155 Q HN 0.473 nan 8.270 nan 0.000 0.394 1156 W N 2.995 124.352 121.300 0.096 0.000 2.475 1156 W HA 0.768 5.430 4.660 0.003 0.000 0.317 1156 W C -0.825 175.741 176.519 0.079 0.000 1.046 1156 W CA -0.302 57.078 57.345 0.058 0.000 1.215 1156 W CB 1.125 30.592 29.460 0.012 0.000 1.335 1156 W HN 0.416 nan 8.180 nan 0.000 0.471 1157 L N 5.527 126.934 121.223 0.306 0.000 2.422 1157 L HA 0.542 4.885 4.340 0.004 0.000 0.264 1157 L C -2.193 174.855 176.870 0.297 0.000 0.984 1157 L CA -2.343 52.649 54.840 0.253 0.000 0.819 1157 L CB 2.628 44.804 42.059 0.195 0.000 1.330 1157 L HN 0.069 nan 8.230 nan 0.000 0.410 1158 P HA 0.181 nan 4.420 nan 0.000 0.274 1158 P C 0.050 177.533 177.300 0.305 0.000 1.256 1158 P CA -0.610 62.659 63.100 0.282 0.000 0.795 1158 P CB 0.880 32.693 31.700 0.187 0.000 1.038 1159 R N 0.956 121.673 120.500 0.361 0.000 2.117 1159 R HA -0.141 4.202 4.340 0.004 0.000 0.243 1159 R C 1.833 178.214 176.300 0.135 0.000 1.143 1159 R CA 2.723 58.978 56.100 0.259 0.000 0.968 1159 R CB -1.927 28.549 30.300 0.295 0.000 0.863 1159 R HN 0.622 nan 8.270 nan 0.000 0.444 1160 T N -1.655 112.981 114.554 0.136 0.000 2.977 1160 T HA -0.040 4.312 4.350 0.004 0.000 0.271 1160 T C 1.131 175.891 174.700 0.100 0.000 1.105 1160 T CA 0.954 63.116 62.100 0.102 0.000 1.116 1160 T CB -0.098 68.826 68.868 0.095 0.000 0.878 1160 T HN 0.070 nan 8.240 nan 0.000 0.509 1161 K N 0.581 121.052 120.400 0.118 0.000 2.373 1161 K HA 0.427 4.750 4.320 0.004 0.000 0.202 1161 K C 0.119 176.795 176.600 0.126 0.000 1.025 1161 K CA -0.025 56.338 56.287 0.127 0.000 1.115 1161 K CB 0.473 33.064 32.500 0.151 0.000 0.858 1161 K HN 0.450 nan 8.250 nan 0.000 0.525 1162 L N 0.582 121.856 121.223 0.086 0.000 2.354 1162 L HA 0.551 4.893 4.340 0.004 0.000 0.269 1162 L C -0.544 176.370 176.870 0.074 0.000 1.005 1162 L CA -1.206 53.670 54.840 0.060 0.000 0.819 1162 L CB 2.298 44.312 42.059 -0.075 0.000 1.311 1162 L HN -0.378 nan 8.230 nan 0.000 0.423 1163 V N 2.062 122.058 119.914 0.137 0.000 2.686 1163 V HA 0.348 4.470 4.120 0.004 0.000 0.306 1163 V C -2.387 173.825 176.094 0.197 0.000 1.065 1163 V CA -1.749 60.645 62.300 0.157 0.000 0.894 1163 V CB 2.405 34.340 31.823 0.187 0.000 1.004 1163 V HN 0.574 nan 8.190 nan 0.000 0.424 1164 P HA 0.125 nan 4.420 nan 0.000 0.264 1164 P C -0.717 176.705 177.300 0.204 0.000 1.183 1164 P CA 0.216 63.383 63.100 0.112 0.000 0.763 1164 P CB 0.520 32.266 31.700 0.077 0.000 0.807 1165 L N 2.428 123.704 121.223 0.088 0.000 2.325 1165 L HA 0.639 4.981 4.340 0.004 0.000 0.278 1165 L C 1.027 177.926 176.870 0.049 0.000 1.023 1165 L CA 0.151 55.017 54.840 0.044 0.000 0.811 1165 L CB 0.896 42.689 42.059 -0.443 0.000 1.249 1165 L HN 0.683 nan 8.230 nan 0.000 0.431 1166 G N 2.812 111.707 108.800 0.159 0.000 2.141 1166 G HA2 -0.255 3.707 3.960 0.004 0.000 0.242 1166 G HA3 -0.255 3.707 3.960 0.004 0.000 0.242 1166 G C 0.352 175.305 174.900 0.087 0.000 0.982 1166 G CA 0.558 45.710 45.100 0.086 0.000 0.662 1166 G HN 1.138 nan 8.290 nan 0.000 0.527 1167 V N -3.739 116.243 119.914 0.114 0.000 3.621 1167 V HA 0.476 4.599 4.120 0.004 0.000 0.263 1167 V C 0.595 176.740 176.094 0.085 0.000 1.272 1167 V CA 0.917 63.267 62.300 0.083 0.000 1.080 1167 V CB 0.778 32.644 31.823 0.071 0.000 0.816 1167 V HN 0.396 nan 8.190 nan 0.000 0.451 1168 N N 0.700 119.466 118.700 0.111 0.000 2.549 1168 N HA 0.291 5.034 4.740 0.004 0.000 0.281 1168 N C 0.492 176.059 175.510 0.095 0.000 1.084 1168 N CA -0.236 52.864 53.050 0.084 0.000 0.862 1168 N CB 2.148 40.676 38.487 0.067 0.000 1.333 1168 N HN 0.285 nan 8.380 nan 0.000 0.523 1169 Q N 1.110 120.957 119.800 0.078 0.000 2.124 1169 Q HA -0.106 4.236 4.340 0.004 0.000 0.202 1169 Q C 0.198 176.218 176.000 0.033 0.000 0.977 1169 Q CA 1.351 57.201 55.803 0.078 0.000 0.850 1169 Q CB 0.343 29.119 28.738 0.063 0.000 0.901 1169 Q HN 0.630 nan 8.270 nan 0.000 0.429 1170 D N 0.736 121.144 120.400 0.013 0.000 2.183 1170 D HA -0.115 4.528 4.640 0.004 0.000 0.203 1170 D C 1.988 178.256 176.300 -0.053 0.000 0.969 1170 D CA 0.528 54.516 54.000 -0.021 0.000 0.842 1170 D CB -0.000 40.789 40.800 -0.017 0.000 0.957 1170 D HN 0.188 nan 8.370 nan 0.000 0.484 1171 L N 1.213 122.413 121.223 -0.037 0.000 2.017 1171 L HA -0.185 4.158 4.340 0.004 0.000 0.208 1171 L C 1.684 178.453 176.870 -0.168 0.000 1.073 1171 L CA 1.583 56.369 54.840 -0.089 0.000 0.745 1171 L CB -0.074 41.966 42.059 -0.031 0.000 0.894 1171 L HN -0.204 nan 8.230 nan 0.000 0.432 1172 D N 0.162 120.553 120.400 -0.016 0.000 2.123 1172 D HA -0.208 4.434 4.640 0.004 0.000 0.196 1172 D C 2.183 178.339 176.300 -0.239 0.000 0.992 1172 D CA 1.443 55.460 54.000 0.028 0.000 0.833 1172 D CB -0.034 40.914 40.800 0.247 0.000 0.954 1172 D HN 0.399 nan 8.370 nan 0.000 0.455 1173 K N 0.421 120.712 120.400 -0.181 0.000 2.062 1173 K HA -0.105 4.217 4.320 0.004 0.000 0.205 1173 K C 2.076 178.547 176.600 -0.215 0.000 1.051 1173 K CA 0.718 56.890 56.287 -0.190 0.000 0.941 1173 K CB -0.034 32.400 32.500 -0.109 0.000 0.719 1173 K HN 0.189 nan 8.250 nan 0.000 0.440 1174 E N 1.571 121.644 120.200 -0.211 0.000 2.070 1174 E HA -0.235 4.117 4.350 0.004 0.000 0.197 1174 E C 1.749 178.150 176.600 -0.333 0.000 1.004 1174 E CA 1.343 57.609 56.400 -0.223 0.000 0.805 1174 E CB 0.214 29.800 29.700 -0.190 0.000 0.744 1174 E HN 0.078 nan 8.360 nan 0.000 0.451 1175 K N 0.025 120.092 120.400 -0.555 0.000 2.097 1175 K HA -0.127 4.195 4.320 0.004 0.000 0.206 1175 K C 2.150 178.369 176.600 -0.635 0.000 1.049 1175 K CA 1.291 57.064 56.287 -0.857 0.000 0.933 1175 K CB -0.275 31.051 32.500 -1.956 0.000 0.717 1175 K HN 0.359 nan 8.250 nan 0.000 0.442 1176 M N 0.473 119.788 119.600 -0.475 0.000 2.460 1176 M HA -0.079 4.403 4.480 0.004 0.000 0.263 1176 M C 1.425 177.637 176.300 -0.146 0.000 1.071 1176 M CA 0.995 56.163 55.300 -0.219 0.000 1.096 1176 M CB -0.005 32.470 32.600 -0.210 0.000 1.408 1176 M HN 0.021 nan 8.290 nan 0.000 0.463 1177 L N -0.853 120.271 121.223 -0.165 0.000 2.653 1177 L HA 0.042 4.385 4.340 0.004 0.000 0.231 1177 L C 1.914 178.731 176.870 -0.088 0.000 1.153 1177 L CA -0.022 54.755 54.840 -0.104 0.000 0.933 1177 L CB -0.255 41.745 42.059 -0.098 0.000 1.175 1177 L HN 0.292 nan 8.230 nan 0.000 0.473 1178 E N 0.924 121.062 120.200 -0.102 0.000 2.122 1178 E HA -0.011 4.341 4.350 0.004 0.000 0.190 1178 E C 1.262 177.849 176.600 -0.021 0.000 0.977 1178 E CA 0.256 56.612 56.400 -0.073 0.000 0.820 1178 E CB 0.216 29.858 29.700 -0.096 0.000 0.770 1178 E HN 0.386 nan 8.360 nan 0.000 0.462 1179 G N 1.035 109.837 108.800 0.002 0.000 2.484 1179 G HA2 -0.132 3.830 3.960 0.004 0.000 0.235 1179 G HA3 -0.132 3.830 3.960 0.004 0.000 0.235 1179 G C 0.539 175.450 174.900 0.020 0.000 1.282 1179 G CA -0.116 45.005 45.100 0.035 0.000 0.857 1179 G HN 0.229 nan 8.290 nan 0.000 0.571 1180 R N 1.090 121.605 120.500 0.026 0.000 2.080 1180 R HA 0.065 4.407 4.340 0.004 0.000 0.222 1180 R C 0.537 176.846 176.300 0.016 0.000 1.107 1180 R CA 0.682 56.791 56.100 0.015 0.000 0.980 1180 R CB -0.051 30.257 30.300 0.013 0.000 0.879 1180 R HN 0.459 nan 8.270 nan 0.000 0.439 1181 K N 0.465 120.881 120.400 0.026 0.000 2.087 1181 K HA 0.112 4.435 4.320 0.004 0.000 0.255 1181 K C 0.693 177.309 176.600 0.027 0.000 0.988 1181 K CA -0.143 56.160 56.287 0.025 0.000 0.915 1181 K CB 1.767 34.286 32.500 0.031 0.000 1.043 1181 K HN -0.084 nan 8.250 nan 0.000 0.457 1182 S N 1.592 117.305 115.700 0.023 0.000 2.368 1182 S HA -0.162 4.310 4.470 0.004 0.000 0.225 1182 S C 1.537 176.157 174.600 0.032 0.000 1.030 1182 S CA 2.094 60.307 58.200 0.023 0.000 0.999 1182 S CB -0.258 62.953 63.200 0.018 0.000 0.844 1182 S HN 0.742 nan 8.310 nan 0.000 0.459 1183 N N 1.769 120.491 118.700 0.037 0.000 2.244 1183 N HA -0.040 4.703 4.740 0.004 0.000 0.183 1183 N C 1.684 177.231 175.510 0.061 0.000 1.016 1183 N CA 1.269 54.346 53.050 0.045 0.000 0.866 1183 N CB -0.883 37.630 38.487 0.042 0.000 0.980 1183 N HN 0.500 nan 8.380 nan 0.000 0.430 1184 I N 0.587 121.197 120.570 0.068 0.000 2.202 1184 I HA -0.151 4.021 4.170 0.004 0.000 0.242 1184 I C 2.569 178.737 176.117 0.084 0.000 1.091 1184 I CA 0.959 62.317 61.300 0.096 0.000 1.368 1184 I CB -0.178 37.883 38.000 0.102 0.000 1.058 1184 I HN 0.060 nan 8.210 nan 0.000 0.410 1185 R N 0.699 121.232 120.500 0.054 0.000 2.096 1185 R HA -0.181 4.161 4.340 0.004 0.000 0.235 1185 R C 2.331 178.650 176.300 0.032 0.000 1.127 1185 R CA 1.178 57.298 56.100 0.033 0.000 0.968 1185 R CB -0.290 30.019 30.300 0.015 0.000 0.861 1185 R HN 0.308 nan 8.270 nan 0.000 0.440 1186 K N 0.335 120.760 120.400 0.042 0.000 2.057 1186 K HA -0.126 4.197 4.320 0.004 0.000 0.207 1186 K C 2.245 178.876 176.600 0.051 0.000 1.049 1186 K CA 1.518 57.833 56.287 0.047 0.000 0.931 1186 K CB -0.087 32.441 32.500 0.046 0.000 0.714 1186 K HN 0.003 nan 8.250 nan 0.000 0.440 1187 S N -0.004 115.735 115.700 0.066 0.000 2.368 1187 S HA -0.103 4.369 4.470 0.004 0.000 0.225 1187 S C 1.889 176.485 174.600 -0.006 0.000 1.030 1187 S CA 1.283 59.538 58.200 0.092 0.000 0.999 1187 S CB -0.152 63.150 63.200 0.171 0.000 0.844 1187 S HN 0.195 nan 8.310 nan 0.000 0.459 1188 V N 1.721 121.593 119.914 -0.070 0.000 2.343 1188 V HA -0.180 3.943 4.120 0.004 0.000 0.247 1188 V C 2.633 178.643 176.094 -0.140 0.000 1.051 1188 V CA 2.062 64.206 62.300 -0.260 0.000 1.036 1188 V CB -0.765 31.012 31.823 -0.077 0.000 0.654 1188 V HN 0.559 nan 8.190 nan 0.000 0.451 1189 Q N -0.655 119.126 119.800 -0.031 0.000 2.079 1189 Q HA -0.131 4.211 4.340 0.004 0.000 0.200 1189 Q C 2.290 178.330 176.000 0.067 0.000 0.974 1189 Q CA 1.656 57.465 55.803 0.011 0.000 0.840 1189 Q CB -0.201 28.586 28.738 0.082 0.000 0.898 1189 Q HN 0.562 nan 8.270 nan 0.000 0.430 1190 I N 0.673 121.291 120.570 0.080 0.000 2.226 1190 I HA -0.286 3.886 4.170 0.004 0.000 0.245 1190 I C 2.364 178.497 176.117 0.027 0.000 1.100 1190 I CA 0.981 62.343 61.300 0.104 0.000 1.374 1190 I CB -0.309 37.740 38.000 0.081 0.000 1.057 1190 I HN 0.175 nan 8.210 nan 0.000 0.413 1191 A N -0.147 122.642 122.820 -0.052 0.000 1.930 1191 A HA -0.272 4.050 4.320 0.004 0.000 0.217 1191 A C 2.249 179.692 177.584 -0.235 0.000 1.175 1191 A CA 1.382 53.368 52.037 -0.083 0.000 0.627 1191 A CB -0.903 17.955 19.000 -0.237 0.000 0.815 1191 A HN 0.533 nan 8.150 nan 0.000 0.443 1192 Y N 0.200 120.261 120.300 -0.399 0.000 2.163 1192 Y HA -0.231 4.321 4.550 0.003 0.000 0.288 1192 Y C 2.520 178.121 175.900 -0.497 0.000 1.136 1192 Y CA 2.189 59.975 58.100 -0.524 0.000 1.147 1192 Y CB -0.333 37.844 38.460 -0.472 0.000 0.987 1192 Y HN 0.478 nan 8.280 nan 0.000 0.509 1193 H N 0.026 119.033 119.070 -0.105 0.000 2.423 1193 H HA -0.051 4.507 4.556 0.004 0.000 0.297 1193 H C 2.308 177.475 175.328 -0.269 0.000 1.075 1193 H CA 1.599 57.540 56.048 -0.178 0.000 1.342 1193 H CB -0.141 29.604 29.762 -0.029 0.000 1.395 1193 H HN 0.393 nan 8.280 nan 0.000 0.530 1194 R N 0.440 120.830 120.500 -0.184 0.000 2.081 1194 R HA -0.052 4.291 4.340 0.004 0.000 0.235 1194 R C 2.588 178.518 176.300 -0.616 0.000 1.131 1194 R CA 1.061 57.014 56.100 -0.245 0.000 0.960 1194 R CB -0.180 30.056 30.300 -0.107 0.000 0.856 1194 R HN 0.222 nan 8.270 nan 0.000 0.436 1195 A N 1.254 123.420 122.820 -1.090 0.000 1.883 1195 A HA -0.140 4.182 4.320 0.004 0.000 0.217 1195 A C 2.146 179.309 177.584 -0.702 0.000 1.186 1195 A CA 1.241 52.381 52.037 -1.494 0.000 0.624 1195 A CB -0.579 17.633 19.000 -1.314 0.000 0.822 1195 A HN 0.188 nan 8.150 nan 0.000 0.444 1196 L N -1.010 119.850 121.223 -0.605 0.000 2.141 1196 L HA -0.215 4.128 4.340 0.004 0.000 0.209 1196 L C 2.766 179.509 176.870 -0.212 0.000 1.094 1196 L CA 1.290 55.900 54.840 -0.384 0.000 0.763 1196 L CB -0.678 41.150 42.059 -0.384 0.000 0.908 1196 L HN 0.514 nan 8.230 nan 0.000 0.437 1197 Q N -0.825 118.866 119.800 -0.182 0.000 2.167 1197 Q HA -0.245 4.097 4.340 0.004 0.000 0.202 1197 Q C 2.057 178.025 176.000 -0.053 0.000 0.970 1197 Q CA 1.621 57.368 55.803 -0.093 0.000 0.855 1197 Q CB -0.206 28.497 28.738 -0.058 0.000 0.911 1197 Q HN 0.563 nan 8.270 nan 0.000 0.438 1198 H N 0.689 119.667 119.070 -0.154 0.000 2.357 1198 H HA -0.066 4.492 4.556 0.004 0.000 0.301 1198 H C 2.166 177.463 175.328 -0.051 0.000 1.082 1198 H CA 1.679 57.698 56.048 -0.049 0.000 1.342 1198 H CB 0.170 29.959 29.762 0.046 0.000 1.389 1198 H HN 0.016 nan 8.280 nan 0.000 0.511 1199 R N -0.027 120.462 120.500 -0.018 0.000 2.081 1199 R HA -0.121 4.221 4.340 0.004 0.000 0.235 1199 R C 2.294 178.522 176.300 -0.120 0.000 1.131 1199 R CA 1.637 57.700 56.100 -0.063 0.000 0.960 1199 R CB -0.229 30.033 30.300 -0.063 0.000 0.856 1199 R HN 0.290 nan 8.270 nan 0.000 0.436 1200 S N 0.593 116.227 115.700 -0.109 0.000 2.359 1200 S HA -0.144 4.328 4.470 0.004 0.000 0.224 1200 S C 1.685 176.214 174.600 -0.118 0.000 1.035 1200 S CA 1.574 59.714 58.200 -0.101 0.000 1.018 1200 S CB -0.113 63.039 63.200 -0.079 0.000 0.876 1200 S HN 0.389 nan 8.310 nan 0.000 0.448 1201 K N 0.599 120.919 120.400 -0.133 0.000 2.026 1201 K HA -0.042 4.280 4.320 0.004 0.000 0.208 1201 K C 2.047 178.548 176.600 -0.164 0.000 1.048 1201 K CA 1.283 57.493 56.287 -0.129 0.000 0.929 1201 K CB -0.464 31.968 32.500 -0.113 0.000 0.713 1201 K HN 0.154 nan 8.250 nan 0.000 0.439 1202 V N 1.821 121.581 119.914 -0.256 0.000 2.490 1202 V HA -0.229 3.893 4.120 0.004 0.000 0.250 1202 V C 1.681 177.630 176.094 -0.242 0.000 1.061 1202 V CA 1.672 63.809 62.300 -0.272 0.000 1.064 1202 V CB -0.441 31.141 31.823 -0.403 0.000 0.670 1202 V HN 0.368 nan 8.190 nan 0.000 0.461 1203 Q N -0.125 119.551 119.800 -0.207 0.000 2.322 1203 Q HA 0.351 4.693 4.340 0.004 0.000 0.203 1203 Q C 1.154 177.049 176.000 -0.174 0.000 0.923 1203 Q CA 0.430 56.109 55.803 -0.207 0.000 0.949 1203 Q CB 0.271 28.924 28.738 -0.142 0.000 1.039 1203 Q HN 0.683 nan 8.270 nan 0.000 0.496 1204 G N 0.000 108.709 108.800 -0.151 0.000 5.446 1204 G HA2 0.000 3.962 3.960 0.004 0.000 0.244 1204 G HA3 0.000 3.962 3.960 0.004 0.000 0.244 1204 G CA 0.000 45.035 45.100 -0.109 0.000 0.502 1204 G HN 0.000 nan 8.290 nan 0.000 0.925