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 1nf1_1_A DATA FIRST_RESID 1206 DATA SEQUENCE ERLVELVTMM GDQGELPIAM ALANVVPCSQ WDELARVLVT LFDSRHLLYQ DATA SEQUENCE LLWNMFSKEV ELADSMQTLF RGNSLASKIM TFCFKVYGAT YLQKLLDPLX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXSLEEN QRNLLQMTEK FFHAIISSSS DATA SEQUENCE EFPPQLRSVC HCLYQVVSQR FPQNSIGAVG SAMFLRFINP AIVSPYEAXX DATA SEQUENCE XXXXXXPIIE RGLKLMSKIL QSIANHVLFT KEEHMRPFND FVKSNFDAAR DATA SEQUENCE RFFLDIASXX XXXXXXXXXX XXXXXXXXXA LHRLLWNNQE KIGQYLSSXX DATA SEQUENCE XXXXXXXRPF DKMATLLAYL GPPE 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 1206 E HA 0.000 nan 4.350 nan 0.000 0.291 1206 E C 0.000 176.594 176.600 -0.011 0.000 1.382 1206 E CA 0.000 56.394 56.400 -0.011 0.000 0.976 1206 E CB 0.000 29.690 29.700 -0.017 0.000 0.812 1207 R N -0.117 120.385 120.500 0.004 0.000 2.555 1207 R HA 0.742 5.080 4.340 -0.002 0.000 0.272 1207 R C 2.195 178.495 176.300 0.001 0.000 1.089 1207 R CA 1.050 57.153 56.100 0.005 0.000 1.126 1207 R CB -1.413 28.897 30.300 0.017 0.000 1.250 1207 R HN 1.607 nan 8.270 nan 0.000 0.551 1208 L N -0.909 120.296 121.223 -0.030 0.000 2.141 1208 L HA 0.217 4.556 4.340 -0.002 0.000 0.209 1208 L C 3.029 179.862 176.870 -0.061 0.000 1.094 1208 L CA 2.358 57.152 54.840 -0.077 0.000 0.763 1208 L CB -1.501 40.470 42.059 -0.147 0.000 0.908 1208 L HN 0.533 nan 8.230 nan 0.000 0.437 1209 V N -1.258 118.630 119.914 -0.043 0.000 2.469 1209 V HA -0.260 3.858 4.120 -0.002 0.000 0.251 1209 V C 2.370 178.444 176.094 -0.033 0.000 1.064 1209 V CA 2.881 65.160 62.300 -0.034 0.000 1.066 1209 V CB -0.302 31.506 31.823 -0.025 0.000 0.667 1209 V HN 0.700 nan 8.190 nan 0.000 0.461 1210 E N -0.284 119.898 120.200 -0.029 0.000 2.162 1210 E HA 0.042 4.391 4.350 -0.002 0.000 0.193 1210 E C 2.220 178.801 176.600 -0.031 0.000 0.953 1210 E CA 1.149 57.530 56.400 -0.033 0.000 0.849 1210 E CB 0.377 30.061 29.700 -0.026 0.000 0.810 1210 E HN 0.572 nan 8.360 nan 0.000 0.470 1211 L N 1.065 122.277 121.223 -0.019 0.000 2.046 1211 L HA -0.082 4.256 4.340 -0.002 0.000 0.208 1211 L C 2.780 179.641 176.870 -0.015 0.000 1.077 1211 L CA 2.053 56.887 54.840 -0.009 0.000 0.747 1211 L CB -1.558 40.510 42.059 0.015 0.000 0.896 1211 L HN 0.128 nan 8.230 nan 0.000 0.432 1212 V N -0.743 119.155 119.914 -0.027 0.000 2.970 1212 V HA -0.166 3.953 4.120 -0.002 0.000 0.260 1212 V C 2.523 178.604 176.094 -0.021 0.000 1.100 1212 V CA 1.915 64.202 62.300 -0.022 0.000 1.122 1212 V CB -1.160 30.638 31.823 -0.042 0.000 0.721 1212 V HN 0.747 nan 8.190 nan 0.000 0.483 1213 T N -0.647 113.883 114.554 -0.040 0.000 3.031 1213 T HA 0.052 4.401 4.350 -0.002 0.000 0.254 1213 T C 1.727 176.368 174.700 -0.098 0.000 1.060 1213 T CA 0.694 62.752 62.100 -0.070 0.000 1.135 1213 T CB -0.137 68.685 68.868 -0.077 0.000 0.896 1213 T HN 0.274 nan 8.240 nan 0.000 0.472 1214 M N 0.961 120.518 119.600 -0.071 0.000 2.476 1214 M HA 0.214 4.692 4.480 -0.002 0.000 0.262 1214 M C 1.822 178.091 176.300 -0.050 0.000 1.079 1214 M CA 0.820 56.079 55.300 -0.068 0.000 1.104 1214 M CB -0.396 32.178 32.600 -0.044 0.000 1.409 1214 M HN 0.132 nan 8.290 nan 0.000 0.467 1215 M N -0.632 118.949 119.600 -0.032 0.000 2.074 1215 M HA 0.165 4.643 4.480 -0.002 0.000 0.258 1215 M C 2.071 178.374 176.300 0.005 0.000 1.083 1215 M CA 2.232 57.532 55.300 -0.000 0.000 1.128 1215 M CB -1.568 31.042 32.600 0.017 0.000 1.301 1215 M HN 0.230 nan 8.290 nan 0.000 0.417 1216 G N -0.657 108.143 108.800 0.000 0.000 2.450 1216 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.220 1216 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.220 1216 G C 1.050 175.930 174.900 -0.033 0.000 1.130 1216 G CA 1.329 46.453 45.100 0.040 0.000 0.760 1216 G HN 0.702 nan 8.290 nan 0.000 0.557 1217 D N 0.192 120.448 120.400 -0.240 0.000 2.352 1217 D HA 0.315 4.954 4.640 -0.002 0.000 0.236 1217 D C 1.008 177.195 176.300 -0.190 0.000 1.148 1217 D CA -0.126 53.580 54.000 -0.490 0.000 0.844 1217 D CB -0.312 40.178 40.800 -0.517 0.000 0.933 1217 D HN 0.409 nan 8.370 nan 0.000 0.507 1218 Q N -0.246 119.531 119.800 -0.038 0.000 2.352 1218 Q HA 0.408 4.747 4.340 -0.002 0.000 0.260 1218 Q C 0.577 176.610 176.000 0.056 0.000 0.976 1218 Q CA -0.288 55.525 55.803 0.015 0.000 0.881 1218 Q CB 1.491 30.258 28.738 0.048 0.000 1.235 1218 Q HN 0.471 nan 8.270 nan 0.000 0.419 1219 G N 1.068 109.893 108.800 0.042 0.000 2.356 1219 G HA2 0.427 4.385 3.960 -0.002 0.000 0.300 1219 G HA3 0.427 4.385 3.960 -0.002 0.000 0.300 1219 G C 0.588 175.526 174.900 0.063 0.000 1.107 1219 G CA 0.598 45.730 45.100 0.052 0.000 0.960 1219 G HN 0.837 nan 8.290 nan 0.000 0.418 1220 E N 1.541 121.790 120.200 0.082 0.000 3.716 1220 E HA -0.182 4.167 4.350 -0.002 0.000 0.319 1220 E C 1.124 177.786 176.600 0.103 0.000 0.521 1220 E CA 0.267 56.717 56.400 0.082 0.000 2.134 1220 E CB -1.840 nan 29.700 nan 0.000 1.800 1220 E HN 1.559 nan 8.360 nan 0.000 0.599 1221 L N -2.128 119.172 121.223 0.128 0.000 3.610 1221 L HA -0.122 4.217 4.340 -0.002 0.000 0.425 1221 L C -1.692 175.253 176.870 0.125 0.000 1.254 1221 L CA 0.810 55.737 54.840 0.146 0.000 0.874 1221 L CB -1.292 40.837 42.059 0.115 0.000 1.932 1221 L HN 0.512 nan 8.230 nan 0.000 0.790 1222 P HA 0.032 nan 4.420 nan 0.000 0.217 1222 P C 1.656 179.040 177.300 0.139 0.000 1.153 1222 P CA 0.606 63.789 63.100 0.139 0.000 0.843 1222 P CB 0.325 32.102 31.700 0.128 0.000 0.794 1223 I N -0.762 119.884 120.570 0.127 0.000 3.444 1223 I HA 0.038 4.207 4.170 -0.002 0.000 0.287 1223 I C 1.700 177.864 176.117 0.079 0.000 1.302 1223 I CA 0.662 62.029 61.300 0.112 0.000 1.368 1223 I CB -1.478 36.591 38.000 0.116 0.000 1.048 1223 I HN -0.072 nan 8.210 nan 0.000 0.487 1224 A N -0.048 122.819 122.820 0.078 0.000 2.026 1224 A HA 0.162 4.481 4.320 -0.002 0.000 0.201 1224 A C 2.091 179.643 177.584 -0.053 0.000 1.318 1224 A CA -0.039 52.019 52.037 0.034 0.000 0.857 1224 A CB -0.030 19.021 19.000 0.084 0.000 0.939 1224 A HN 0.198 nan 8.150 nan 0.000 0.476 1225 M N 0.030 119.614 119.600 -0.027 0.000 2.549 1225 M HA -0.034 4.445 4.480 -0.002 0.000 0.260 1225 M C 2.046 178.182 176.300 -0.274 0.000 1.076 1225 M CA 1.080 56.343 55.300 -0.061 0.000 1.090 1225 M CB -0.174 32.469 32.600 0.072 0.000 1.418 1225 M HN 0.534 nan 8.290 nan 0.000 0.486 1226 A N 0.066 122.701 122.820 -0.308 0.000 1.942 1226 A HA 0.116 4.434 4.320 -0.002 0.000 0.209 1226 A C 1.925 179.276 177.584 -0.390 0.000 1.214 1226 A CA 0.286 51.924 52.037 -0.666 0.000 0.686 1226 A CB -0.399 18.453 19.000 -0.248 0.000 0.871 1226 A HN 0.374 nan 8.150 nan 0.000 0.460 1227 L N -0.378 120.743 121.223 -0.170 0.000 2.191 1227 L HA -0.163 4.176 4.340 -0.002 0.000 0.212 1227 L C 2.820 179.632 176.870 -0.097 0.000 1.103 1227 L CA 1.043 55.833 54.840 -0.084 0.000 0.769 1227 L CB -0.177 41.870 42.059 -0.019 0.000 0.908 1227 L HN 0.472 nan 8.230 nan 0.000 0.438 1228 A N -0.892 121.824 122.820 -0.172 0.000 1.901 1228 A HA -0.075 4.244 4.320 -0.002 0.000 0.210 1228 A C 1.928 179.419 177.584 -0.155 0.000 1.208 1228 A CA 0.622 52.529 52.037 -0.216 0.000 0.644 1228 A CB -0.382 18.458 19.000 -0.267 0.000 0.863 1228 A HN 0.322 nan 8.150 nan 0.000 0.454 1229 N N -0.153 118.423 118.700 -0.206 0.000 2.635 1229 N HA -0.055 4.684 4.740 -0.002 0.000 0.191 1229 N C 0.917 176.400 175.510 -0.045 0.000 1.155 1229 N CA 1.234 54.208 53.050 -0.127 0.000 0.927 1229 N CB 0.308 38.661 38.487 -0.223 0.000 0.976 1229 N HN 0.315 nan 8.380 nan 0.000 0.448 1230 V N -1.010 118.882 119.914 -0.036 0.000 3.177 1230 V HA 0.073 4.191 4.120 -0.002 0.000 0.220 1230 V C 0.653 176.805 176.094 0.097 0.000 1.395 1230 V CA 0.035 62.342 62.300 0.011 0.000 1.317 1230 V CB 0.796 32.574 31.823 -0.076 0.000 1.148 1230 V HN -0.205 nan 8.190 nan 0.000 0.499 1231 V N 3.611 123.609 119.914 0.140 0.000 2.694 1231 V HA 0.109 4.228 4.120 -0.002 0.000 0.306 1231 V C -2.016 174.224 176.094 0.244 0.000 1.054 1231 V CA -0.856 61.556 62.300 0.187 0.000 1.161 1231 V CB 0.367 32.311 31.823 0.202 0.000 0.916 1231 V HN 0.353 nan 8.190 nan 0.000 0.490 1232 P HA -0.106 nan 4.420 nan 0.000 0.260 1232 P C 0.980 177.988 177.300 -0.487 0.000 1.147 1232 P CA 0.363 63.385 63.100 -0.131 0.000 0.758 1232 P CB 0.031 31.678 31.700 -0.088 0.000 0.744 1233 C N 3.305 122.154 119.300 -0.752 0.000 2.385 1233 C HA -0.266 4.193 4.460 -0.002 0.000 0.275 1233 C C 3.045 177.450 174.990 -0.974 0.000 1.199 1233 C CA 2.513 60.717 59.018 -1.358 0.000 1.782 1233 C CB -1.818 25.460 27.740 -0.769 0.000 2.068 1233 C HN 0.749 nan 8.230 nan 0.000 0.471 1234 S N -1.443 113.974 115.700 -0.472 0.000 2.383 1234 S HA -0.124 4.345 4.470 -0.002 0.000 0.227 1234 S C 1.643 176.160 174.600 -0.138 0.000 1.026 1234 S CA 1.095 59.150 58.200 -0.242 0.000 0.981 1234 S CB -0.301 nan 63.200 nan 0.000 0.818 1234 S HN 0.691 nan 8.310 nan 0.000 0.472 1235 Q N -0.265 119.462 119.800 -0.122 0.000 2.292 1235 Q HA 0.080 4.418 4.340 -0.002 0.000 0.247 1235 Q C -0.072 176.091 176.000 0.272 0.000 0.911 1235 Q CA -0.139 55.695 55.803 0.051 0.000 0.948 1235 Q CB -0.286 28.484 28.738 0.053 0.000 1.093 1235 Q HN 0.855 nan 8.270 nan 0.000 0.428 1236 W N -0.414 120.870 121.300 -0.027 0.000 2.735 1236 W HA 0.097 4.757 4.660 -0.001 0.000 0.264 1236 W C 1.258 177.751 176.519 -0.043 0.000 1.233 1236 W CA -0.532 56.794 57.345 -0.031 0.000 1.408 1236 W CB -0.097 29.351 29.460 -0.019 0.000 1.038 1236 W HN 0.254 nan 8.180 nan 0.000 0.603 1237 D N 0.289 120.806 120.400 0.196 0.000 2.123 1237 D HA -0.203 4.435 4.640 -0.002 0.000 0.196 1237 D C 1.909 178.196 176.300 -0.021 0.000 0.992 1237 D CA 1.766 55.810 54.000 0.073 0.000 0.833 1237 D CB -0.040 40.799 40.800 0.065 0.000 0.954 1237 D HN 0.208 nan 8.370 nan 0.000 0.455 1238 E N -0.479 119.727 120.200 0.010 0.000 2.046 1238 E HA -0.124 4.224 4.350 -0.002 0.000 0.190 1238 E C 1.905 178.472 176.600 -0.054 0.000 0.982 1238 E CA 0.279 56.658 56.400 -0.034 0.000 0.800 1238 E CB -0.062 29.642 29.700 0.006 0.000 0.756 1238 E HN 0.099 nan 8.360 nan 0.000 0.449 1239 L N 0.465 121.693 121.223 0.009 0.000 2.349 1239 L HA -0.084 4.254 4.340 -0.002 0.000 0.220 1239 L C 1.871 178.686 176.870 -0.092 0.000 1.130 1239 L CA 1.659 56.489 54.840 -0.017 0.000 0.791 1239 L CB -0.290 41.781 42.059 0.019 0.000 0.918 1239 L HN 0.176 nan 8.230 nan 0.000 0.444 1240 A N -1.281 121.457 122.820 -0.137 0.000 1.943 1240 A HA -0.045 4.274 4.320 -0.002 0.000 0.213 1240 A C 2.409 179.771 177.584 -0.371 0.000 1.181 1240 A CA 0.539 52.459 52.037 -0.195 0.000 0.653 1240 A CB -0.453 18.461 19.000 -0.143 0.000 0.833 1240 A HN 0.302 nan 8.150 nan 0.000 0.451 1241 R N 0.327 120.475 120.500 -0.587 0.000 2.105 1241 R HA -0.117 4.222 4.340 -0.002 0.000 0.239 1241 R C 1.908 178.036 176.300 -0.287 0.000 1.135 1241 R CA 1.970 57.581 56.100 -0.815 0.000 0.967 1241 R CB -0.692 29.271 30.300 -0.561 0.000 0.861 1241 R HN 0.344 nan 8.270 nan 0.000 0.442 1242 V N 1.021 120.841 119.914 -0.157 0.000 2.239 1242 V HA -0.231 3.887 4.120 -0.002 0.000 0.242 1242 V C 2.470 178.586 176.094 0.036 0.000 1.038 1242 V CA 1.300 63.581 62.300 -0.031 0.000 1.002 1242 V CB -0.537 31.281 31.823 -0.007 0.000 0.641 1242 V HN 0.174 nan 8.190 nan 0.000 0.449 1243 L N -0.126 121.108 121.223 0.018 0.000 2.013 1243 L HA -0.178 4.161 4.340 -0.002 0.000 0.212 1243 L C 2.362 179.291 176.870 0.099 0.000 1.073 1243 L CA 1.805 56.680 54.840 0.059 0.000 0.753 1243 L CB -0.903 41.083 42.059 -0.122 0.000 0.890 1243 L HN 0.150 nan 8.230 nan 0.000 0.432 1244 V N -1.799 118.139 119.914 0.040 0.000 2.307 1244 V HA -0.273 3.845 4.120 -0.002 0.000 0.245 1244 V C 2.496 178.701 176.094 0.186 0.000 1.045 1244 V CA 2.097 64.461 62.300 0.107 0.000 1.024 1244 V CB -0.695 31.245 31.823 0.196 0.000 0.651 1244 V HN 0.517 nan 8.190 nan 0.000 0.449 1245 T N -0.743 113.920 114.554 0.181 0.000 2.962 1245 T HA -0.018 4.331 4.350 -0.002 0.000 0.270 1245 T C 1.504 176.282 174.700 0.129 0.000 1.088 1245 T CA 1.195 63.404 62.100 0.181 0.000 1.127 1245 T CB -0.149 68.818 68.868 0.164 0.000 0.883 1245 T HN 0.380 nan 8.240 nan 0.000 0.493 1246 L N -1.311 119.997 121.223 0.142 0.000 2.556 1246 L HA 0.324 4.663 4.340 -0.002 0.000 0.226 1246 L C 1.684 178.567 176.870 0.022 0.000 1.089 1246 L CA 0.117 54.999 54.840 0.070 0.000 0.864 1246 L CB -0.112 41.982 42.059 0.058 0.000 1.067 1246 L HN 0.175 nan 8.230 nan 0.000 0.477 1247 F N 0.610 120.542 119.950 -0.030 0.000 2.416 1247 F HA -0.103 4.422 4.527 -0.003 0.000 0.296 1247 F C 2.201 177.953 175.800 -0.080 0.000 1.099 1247 F CA 0.986 58.956 58.000 -0.050 0.000 1.427 1247 F CB -0.167 38.811 39.000 -0.037 0.000 1.079 1247 F HN 0.080 nan 8.300 nan 0.000 0.536 1248 D N 0.085 120.555 120.400 0.118 0.000 2.092 1248 D HA -0.195 4.444 4.640 -0.002 0.000 0.193 1248 D C 2.305 178.533 176.300 -0.119 0.000 0.994 1248 D CA 1.989 56.004 54.000 0.025 0.000 0.828 1248 D CB -0.250 40.612 40.800 0.104 0.000 0.963 1248 D HN 0.198 nan 8.370 nan 0.000 0.450 1249 S N -1.119 114.505 115.700 -0.127 0.000 2.474 1249 S HA -0.048 4.421 4.470 -0.002 0.000 0.235 1249 S C 1.766 176.109 174.600 -0.428 0.000 0.997 1249 S CA 0.462 58.523 58.200 -0.231 0.000 0.949 1249 S CB -0.054 63.070 63.200 -0.126 0.000 0.766 1249 S HN 0.118 nan 8.310 nan 0.000 0.517 1250 R N 0.058 120.329 120.500 -0.382 0.000 2.432 1250 R HA 0.188 4.527 4.340 -0.002 0.000 0.260 1250 R C -0.272 175.838 176.300 -0.316 0.000 0.935 1250 R CA 0.112 55.985 56.100 -0.378 0.000 1.080 1250 R CB -0.513 29.616 30.300 -0.286 0.000 1.155 1250 R HN 0.560 nan 8.270 nan 0.000 0.531 1251 H N -1.039 117.987 119.070 -0.073 0.000 3.109 1251 H HA -0.134 4.421 4.556 -0.002 0.000 0.245 1251 H C 0.159 175.448 175.328 -0.064 0.000 1.187 1251 H CA 0.801 56.804 56.048 -0.076 0.000 1.136 1251 H CB -1.808 27.914 29.762 -0.067 0.000 1.243 1251 H HN 0.095 nan 8.280 nan 0.000 0.328 1252 L N 0.247 121.487 121.223 0.029 0.000 2.965 1252 L HA 0.124 4.463 4.340 -0.002 0.000 0.254 1252 L C 2.052 179.041 176.870 0.198 0.000 1.220 1252 L CA -0.075 54.830 54.840 0.108 0.000 1.023 1252 L CB 0.201 42.330 42.059 0.115 0.000 1.355 1252 L HN 0.030 nan 8.230 nan 0.000 0.545 1253 L N 0.140 121.386 121.223 0.040 0.000 1.978 1253 L HA -0.253 4.086 4.340 -0.002 0.000 0.218 1253 L C 2.074 178.939 176.870 -0.010 0.000 1.075 1253 L CA 2.246 57.069 54.840 -0.029 0.000 0.767 1253 L CB -0.572 41.337 42.059 -0.250 0.000 0.890 1253 L HN 0.239 nan 8.230 nan 0.000 0.434 1254 Y N -0.098 120.245 120.300 0.071 0.000 2.632 1254 Y HA -0.022 4.526 4.550 -0.003 0.000 0.301 1254 Y C 2.446 178.389 175.900 0.072 0.000 1.172 1254 Y CA 0.253 58.379 58.100 0.043 0.000 1.328 1254 Y CB -0.782 37.718 38.460 0.068 0.000 1.016 1254 Y HN 0.459 nan 8.280 nan 0.000 0.529 1255 Q N -0.798 119.110 119.800 0.180 0.000 2.212 1255 Q HA -0.059 4.280 4.340 -0.002 0.000 0.199 1255 Q C 2.275 178.336 176.000 0.102 0.000 0.950 1255 Q CA 0.634 56.531 55.803 0.157 0.000 0.863 1255 Q CB -0.352 28.475 28.738 0.149 0.000 0.944 1255 Q HN 0.500 nan 8.270 nan 0.000 0.465 1256 L N 0.497 121.712 121.223 -0.013 0.000 2.044 1256 L HA -0.066 4.273 4.340 -0.002 0.000 0.205 1256 L C 2.087 178.814 176.870 -0.238 0.000 1.075 1256 L CA 1.275 55.947 54.840 -0.281 0.000 0.747 1256 L CB -0.398 41.248 42.059 -0.689 0.000 0.903 1256 L HN 0.064 nan 8.230 nan 0.000 0.435 1257 L N -1.526 119.562 121.223 -0.225 0.000 2.056 1257 L HA -0.233 4.106 4.340 -0.002 0.000 0.207 1257 L C 2.520 179.021 176.870 -0.615 0.000 1.078 1257 L CA 1.487 55.985 54.840 -0.570 0.000 0.749 1257 L CB -0.971 40.760 42.059 -0.548 0.000 0.901 1257 L HN 0.576 nan 8.230 nan 0.000 0.433 1258 W N 1.759 122.863 121.300 -0.326 0.000 2.363 1258 W HA -0.185 4.476 4.660 0.002 0.000 0.296 1258 W C 2.150 178.628 176.519 -0.068 0.000 1.212 1258 W CA 1.525 58.776 57.345 -0.156 0.000 1.260 1258 W CB -0.298 29.134 29.460 -0.047 0.000 1.131 1258 W HN 0.302 nan 8.180 nan 0.000 0.530 1259 N N -0.092 118.660 118.700 0.088 0.000 2.051 1259 N HA -0.191 4.547 4.740 -0.002 0.000 0.192 1259 N C 1.824 177.319 175.510 -0.025 0.000 1.049 1259 N CA 1.878 54.956 53.050 0.045 0.000 0.845 1259 N CB -0.597 37.910 38.487 0.032 0.000 1.031 1259 N HN 0.023 nan 8.380 nan 0.000 0.425 1260 M N 0.208 119.779 119.600 -0.048 0.000 2.267 1260 M HA -0.114 4.365 4.480 -0.002 0.000 0.263 1260 M C 1.489 177.951 176.300 0.270 0.000 1.063 1260 M CA 1.141 56.465 55.300 0.041 0.000 1.090 1260 M CB -0.771 31.836 32.600 0.011 0.000 1.392 1260 M HN 0.115 nan 8.290 nan 0.000 0.422 1261 F N 0.191 120.095 119.950 -0.077 0.000 2.179 1261 F HA 0.050 4.576 4.527 -0.002 0.000 0.292 1261 F C 2.756 178.466 175.800 -0.149 0.000 1.089 1261 F CA 0.404 58.387 58.000 -0.028 0.000 1.295 1261 F CB -1.446 37.485 39.000 -0.115 0.000 1.041 1261 F HN 0.089 nan 8.300 nan 0.000 0.487 1262 S N 0.137 115.768 115.700 -0.115 0.000 2.359 1262 S HA -0.247 4.222 4.470 -0.002 0.000 0.223 1262 S C 2.140 176.682 174.600 -0.096 0.000 1.039 1262 S CA 1.654 59.727 58.200 -0.211 0.000 1.042 1262 S CB -0.207 62.839 63.200 -0.257 0.000 0.915 1262 S HN 0.089 nan 8.310 nan 0.000 0.439 1263 K N 1.482 121.850 120.400 -0.053 0.000 2.009 1263 K HA 0.025 4.344 4.320 -0.002 0.000 0.210 1263 K C 1.540 178.097 176.600 -0.072 0.000 1.049 1263 K CA 1.166 57.426 56.287 -0.046 0.000 0.929 1263 K CB -0.289 32.191 32.500 -0.032 0.000 0.714 1263 K HN 0.170 nan 8.250 nan 0.000 0.440 1264 E N 0.383 120.531 120.200 -0.085 0.000 2.330 1264 E HA -0.007 4.341 4.350 -0.002 0.000 0.210 1264 E C 0.050 176.494 176.600 -0.260 0.000 1.256 1264 E CA 0.063 56.350 56.400 -0.189 0.000 1.346 1264 E CB 0.063 29.611 29.700 -0.253 0.000 1.308 1264 E HN -0.003 nan 8.360 nan 0.000 0.441 1265 V N -0.679 119.149 119.914 -0.143 0.000 3.305 1265 V HA 0.008 4.127 4.120 -0.002 0.000 0.247 1265 V C 1.255 177.304 176.094 -0.075 0.000 1.426 1265 V CA 0.113 62.356 62.300 -0.095 0.000 1.162 1265 V CB 0.515 32.290 31.823 -0.079 0.000 0.961 1265 V HN 0.129 nan 8.190 nan 0.000 0.449 1266 E N 0.393 120.538 120.200 -0.091 0.000 2.494 1266 E HA 0.128 4.476 4.350 -0.002 0.000 0.193 1266 E C 1.032 177.602 176.600 -0.050 0.000 1.074 1266 E CA 0.229 56.583 56.400 -0.078 0.000 0.867 1266 E CB 0.244 29.902 29.700 -0.070 0.000 0.924 1266 E HN 0.531 nan 8.360 nan 0.000 0.502 1267 L N -0.740 120.451 121.223 -0.055 0.000 2.540 1267 L HA 0.344 4.682 4.340 -0.002 0.000 0.188 1267 L C 1.775 178.636 176.870 -0.016 0.000 1.294 1267 L CA 0.260 55.073 54.840 -0.045 0.000 2.669 1267 L CB -0.679 41.335 42.059 -0.076 0.000 2.507 1267 L HN 0.130 nan 8.230 nan 0.000 1.090 1268 A N 0.467 123.256 122.820 -0.052 0.000 1.346 1268 A HA -0.428 3.891 4.320 -0.002 0.000 0.342 1268 A C 0.922 178.496 177.584 -0.016 0.000 1.689 1268 A CA 3.432 55.445 52.037 -0.039 0.000 1.090 1268 A CB -2.476 16.557 19.000 0.056 0.000 1.472 1268 A HN 1.630 nan 8.150 nan 0.000 0.721 1269 D N -2.232 118.199 120.400 0.052 0.000 3.092 1269 D HA 0.435 5.073 4.640 -0.002 0.000 0.253 1269 D C 0.955 177.243 176.300 -0.020 0.000 1.063 1269 D CA 1.730 55.751 54.000 0.035 0.000 0.886 1269 D CB -2.340 nan 40.800 nan 0.000 1.021 1269 D HN 2.590 nan 8.370 nan 0.000 0.425 1270 S N -2.543 113.157 115.700 -0.001 0.000 3.441 1270 S HA 0.207 4.676 4.470 -0.002 0.000 0.856 1270 S C 1.409 175.677 174.600 -0.555 0.000 1.189 1270 S CA 1.186 59.135 58.200 -0.418 0.000 0.923 1270 S CB -0.548 62.510 63.200 -0.237 0.000 0.627 1270 S HN 2.323 nan 8.310 nan 0.000 0.276 1271 M N 2.096 121.110 119.600 -0.977 0.000 3.092 1271 M HA 0.623 5.101 4.480 -0.002 0.000 0.228 1271 M C 1.355 177.462 176.300 -0.321 0.000 1.301 1271 M CA 1.355 56.269 55.300 -0.643 0.000 1.216 1271 M CB -1.462 nan 32.600 nan 0.000 1.356 1271 M HN 1.106 nan 8.290 nan 0.000 0.463 1272 Q N -0.639 119.017 119.800 -0.241 0.000 2.281 1272 Q HA 0.146 4.484 4.340 -0.002 0.000 0.215 1272 Q C 1.870 177.806 176.000 -0.107 0.000 0.867 1272 Q CA 1.176 56.892 55.803 -0.145 0.000 0.940 1272 Q CB -0.588 nan 28.738 nan 0.000 1.111 1272 Q HN 1.063 nan 8.270 nan 0.000 0.513 1273 T N -1.857 112.623 114.554 -0.124 0.000 3.067 1273 T HA 0.230 4.579 4.350 -0.002 0.000 0.257 1273 T C 0.774 175.398 174.700 -0.125 0.000 1.105 1273 T CA -0.199 61.840 62.100 -0.102 0.000 1.104 1273 T CB -0.236 68.573 68.868 -0.098 0.000 0.925 1273 T HN 0.256 nan 8.240 nan 0.000 0.498 1274 L N 2.539 123.671 121.223 -0.152 0.000 2.584 1274 L HA 0.224 4.563 4.340 -0.002 0.000 0.272 1274 L C 0.238 177.042 176.870 -0.110 0.000 1.195 1274 L CA -0.113 54.585 54.840 -0.236 0.000 0.920 1274 L CB -1.432 40.568 42.059 -0.098 0.000 1.173 1274 L HN 0.429 nan 8.230 nan 0.000 0.489 1275 F N 1.088 120.977 119.950 -0.102 0.000 2.825 1275 F HA -0.311 4.215 4.527 -0.003 0.000 0.358 1275 F C 1.082 176.856 175.800 -0.043 0.000 0.639 1275 F CA 0.689 58.627 58.000 -0.103 0.000 1.153 1275 F CB -1.341 37.562 39.000 -0.161 0.000 1.610 1275 F HN 0.516 nan 8.300 nan 0.000 0.305 1276 R N 0.760 121.294 120.500 0.057 0.000 2.254 1276 R HA 0.563 4.902 4.340 -0.002 0.000 0.318 1276 R C 0.851 177.171 176.300 0.033 0.000 1.031 1276 R CA 0.209 56.342 56.100 0.055 0.000 0.905 1276 R CB 1.188 31.505 30.300 0.028 0.000 1.050 1276 R HN 0.362 nan 8.270 nan 0.000 0.456 1277 G N 2.149 110.982 108.800 0.056 0.000 2.710 1277 G HA2 -0.253 3.705 3.960 -0.002 0.000 0.668 1277 G HA3 -0.253 3.705 3.960 -0.002 0.000 0.668 1277 G C -0.861 174.083 174.900 0.072 0.000 1.320 1277 G CA -0.884 44.248 45.100 0.053 0.000 0.860 1277 G HN 0.672 nan 8.290 nan 0.000 0.538 1278 N N 0.709 119.460 118.700 0.085 0.000 2.990 1278 N HA 0.510 5.249 4.740 -0.002 0.000 0.288 1278 N C 0.533 176.142 175.510 0.165 0.000 1.624 1278 N CA 0.210 53.333 53.050 0.122 0.000 0.961 1278 N CB 1.020 39.585 38.487 0.130 0.000 1.259 1278 N HN 0.904 nan 8.380 nan 0.000 0.489 1279 S N -0.162 115.605 115.700 0.113 0.000 2.626 1279 S HA 0.187 4.656 4.470 -0.002 0.000 0.257 1279 S C 0.332 174.949 174.600 0.029 0.000 1.288 1279 S CA -0.738 57.521 58.200 0.098 0.000 0.980 1279 S CB 0.725 63.919 63.200 -0.010 0.000 0.975 1279 S HN 0.337 nan 8.310 nan 0.000 0.577 1280 L N 1.001 122.093 121.223 -0.217 0.000 2.399 1280 L HA 0.605 4.943 4.340 -0.002 0.000 0.257 1280 L C 0.503 177.271 176.870 -0.170 0.000 1.236 1280 L CA 0.706 55.346 54.840 -0.335 0.000 1.144 1280 L CB -0.637 40.914 42.059 -0.846 0.000 1.379 1280 L HN 0.954 nan 8.230 nan 0.000 0.414 1281 A N 0.515 123.328 122.820 -0.011 0.000 2.031 1281 A HA 0.024 4.343 4.320 -0.002 0.000 0.159 1281 A C 1.611 179.320 177.584 0.208 0.000 2.021 1281 A CA 0.481 52.600 52.037 0.138 0.000 1.557 1281 A CB -0.334 18.774 19.000 0.180 0.000 1.617 1281 A HN 0.436 nan 8.150 nan 0.000 0.297 1282 S N 1.049 116.854 115.700 0.175 0.000 2.395 1282 S HA 0.075 4.544 4.470 -0.002 0.000 0.225 1282 S C 2.257 176.934 174.600 0.128 0.000 1.027 1282 S CA 1.782 60.095 58.200 0.189 0.000 0.965 1282 S CB -0.246 63.060 63.200 0.177 0.000 0.812 1282 S HN 0.877 nan 8.310 nan 0.000 0.482 1283 K N 1.943 122.409 120.400 0.111 0.000 2.025 1283 K HA 0.125 4.444 4.320 -0.002 0.000 0.207 1283 K C 1.867 178.534 176.600 0.111 0.000 1.049 1283 K CA 1.356 57.712 56.287 0.114 0.000 0.933 1283 K CB -1.344 31.219 32.500 0.104 0.000 0.714 1283 K HN 0.400 nan 8.250 nan 0.000 0.438 1284 I N 0.408 121.020 120.570 0.069 0.000 2.069 1284 I HA -0.392 3.776 4.170 -0.002 0.000 0.237 1284 I C 2.868 179.028 176.117 0.072 0.000 1.053 1284 I CA 2.396 63.738 61.300 0.071 0.000 1.311 1284 I CB -0.296 37.727 38.000 0.039 0.000 1.030 1284 I HN 0.599 nan 8.210 nan 0.000 0.398 1285 M N 0.611 120.241 119.600 0.051 0.000 2.471 1285 M HA -0.329 4.149 4.480 -0.002 0.000 0.260 1285 M C 2.229 178.386 176.300 -0.237 0.000 1.065 1285 M CA 2.989 58.188 55.300 -0.169 0.000 1.075 1285 M CB -0.624 31.806 32.600 -0.283 0.000 1.258 1285 M HN 0.159 nan 8.290 nan 0.000 0.457 1286 T N 0.198 114.752 114.554 -0.000 0.000 2.822 1286 T HA -0.168 4.180 4.350 -0.002 0.000 0.270 1286 T C 1.280 176.062 174.700 0.137 0.000 1.064 1286 T CA 1.613 63.812 62.100 0.166 0.000 1.131 1286 T CB -0.575 68.419 68.868 0.209 0.000 0.858 1286 T HN 0.455 nan 8.240 nan 0.000 0.483 1287 F N 1.289 121.218 119.950 -0.036 0.000 2.118 1287 F HA -0.032 4.493 4.527 -0.003 0.000 0.293 1287 F C 2.512 178.202 175.800 -0.184 0.000 1.102 1287 F CA -0.127 57.834 58.000 -0.064 0.000 1.247 1287 F CB -0.850 38.111 39.000 -0.065 0.000 1.017 1287 F HN 0.173 nan 8.300 nan 0.000 0.475 1288 C N 0.368 119.437 119.300 -0.385 0.000 2.385 1288 C HA -0.256 4.202 4.460 -0.002 0.000 0.275 1288 C C 2.680 177.316 174.990 -0.590 0.000 1.207 1288 C CA 0.729 59.325 59.018 -0.704 0.000 1.760 1288 C CB -1.807 25.612 27.740 -0.535 0.000 2.051 1288 C HN 0.426 nan 8.230 nan 0.000 0.467 1289 F N 1.460 121.154 119.950 -0.427 0.000 2.091 1289 F HA -0.150 4.375 4.527 -0.002 0.000 0.299 1289 F C 2.359 177.860 175.800 -0.498 0.000 1.103 1289 F CA 1.901 59.593 58.000 -0.515 0.000 1.228 1289 F CB -1.033 37.730 39.000 -0.395 0.000 0.984 1289 F HN 0.149 nan 8.300 nan 0.000 0.477 1290 K N 0.369 120.686 120.400 -0.138 0.000 1.967 1290 K HA -0.083 4.236 4.320 -0.002 0.000 0.212 1290 K C 2.182 178.691 176.600 -0.152 0.000 1.044 1290 K CA 1.376 57.610 56.287 -0.089 0.000 0.942 1290 K CB -1.028 31.401 32.500 -0.118 0.000 0.726 1290 K HN -0.010 nan 8.250 nan 0.000 0.440 1291 V N 0.555 120.229 119.914 -0.400 0.000 2.236 1291 V HA -0.322 3.796 4.120 -0.002 0.000 0.255 1291 V C 2.226 178.346 176.094 0.043 0.000 1.068 1291 V CA 2.156 64.304 62.300 -0.254 0.000 1.044 1291 V CB -0.671 30.863 31.823 -0.482 0.000 0.653 1291 V HN 0.325 nan 8.190 nan 0.000 0.448 1292 Y N 0.356 120.563 120.300 -0.156 0.000 2.509 1292 Y HA 0.166 4.714 4.550 -0.003 0.000 0.293 1292 Y C 2.088 177.930 175.900 -0.097 0.000 1.133 1292 Y CA 0.890 58.921 58.100 -0.115 0.000 1.283 1292 Y CB -0.755 37.632 38.460 -0.123 0.000 1.001 1292 Y HN 0.355 nan 8.280 nan 0.000 0.555 1293 G N -1.697 107.157 108.800 0.090 0.000 3.979 1293 G HA2 0.336 4.295 3.960 -0.002 0.000 0.287 1293 G HA3 0.336 4.295 3.960 -0.002 0.000 0.287 1293 G C 0.887 175.989 174.900 0.336 0.000 1.011 1293 G CA 0.269 45.467 45.100 0.162 0.000 0.818 1293 G HN 0.206 nan 8.290 nan 0.000 0.470 1294 A N 0.875 123.826 122.820 0.218 0.000 2.324 1294 A HA 0.450 4.769 4.320 -0.002 0.000 0.240 1294 A C 1.784 179.454 177.584 0.143 0.000 1.347 1294 A CA 1.322 53.474 52.037 0.192 0.000 1.036 1294 A CB -0.610 18.466 19.000 0.127 0.000 0.917 1294 A HN 0.393 nan 8.150 nan 0.000 0.519 1295 T N -4.735 109.920 114.554 0.170 0.000 3.358 1295 T HA 0.001 4.350 4.350 -0.002 0.000 0.263 1295 T C 1.670 176.469 174.700 0.165 0.000 0.998 1295 T CA 0.658 62.835 62.100 0.129 0.000 1.130 1295 T CB -0.738 68.191 68.868 0.102 0.000 1.165 1295 T HN 0.283 nan 8.240 nan 0.000 0.426 1296 Y N 2.395 122.740 120.300 0.076 0.000 2.114 1296 Y HA 0.042 4.591 4.550 -0.002 0.000 0.282 1296 Y C 2.021 177.965 175.900 0.075 0.000 1.165 1296 Y CA 1.180 59.331 58.100 0.085 0.000 1.148 1296 Y CB -0.515 38.017 38.460 0.119 0.000 0.972 1296 Y HN 0.162 nan 8.280 nan 0.000 0.504 1297 L N 0.732 121.989 121.223 0.057 0.000 2.465 1297 L HA -0.129 4.210 4.340 -0.002 0.000 0.224 1297 L C 2.027 178.814 176.870 -0.138 0.000 1.145 1297 L CA 1.670 56.381 54.840 -0.215 0.000 0.834 1297 L CB -0.632 41.290 42.059 -0.229 0.000 0.944 1297 L HN 0.516 nan 8.230 nan 0.000 0.451 1298 Q N -0.076 119.705 119.800 -0.033 0.000 2.376 1298 Q HA -0.060 4.279 4.340 -0.002 0.000 0.206 1298 Q C 1.714 177.690 176.000 -0.039 0.000 0.921 1298 Q CA 1.047 56.838 55.803 -0.019 0.000 0.911 1298 Q CB 0.420 29.175 28.738 0.028 0.000 1.032 1298 Q HN 0.361 nan 8.270 nan 0.000 0.510 1299 K N 0.016 120.384 120.400 -0.053 0.000 2.402 1299 K HA 0.167 4.486 4.320 -0.002 0.000 0.204 1299 K C 1.122 177.657 176.600 -0.109 0.000 1.056 1299 K CA 0.424 56.681 56.287 -0.050 0.000 1.069 1299 K CB 0.092 32.593 32.500 0.001 0.000 0.888 1299 K HN 0.246 nan 8.250 nan 0.000 0.546 1300 L N -0.946 120.146 121.223 -0.219 0.000 2.298 1300 L HA 0.345 4.684 4.340 -0.002 0.000 0.209 1300 L C 1.851 178.541 176.870 -0.301 0.000 1.084 1300 L CA 1.062 55.712 54.840 -0.317 0.000 0.816 1300 L CB 0.223 41.901 42.059 -0.635 0.000 0.967 1300 L HN 0.235 nan 8.230 nan 0.000 0.460 1301 L N -0.373 120.704 121.223 -0.244 0.000 2.286 1301 L HA 0.159 4.497 4.340 -0.002 0.000 0.203 1301 L C 2.391 179.198 176.870 -0.104 0.000 1.068 1301 L CA 0.849 55.580 54.840 -0.183 0.000 0.811 1301 L CB -1.270 40.733 42.059 -0.094 0.000 0.989 1301 L HN 0.306 nan 8.230 nan 0.000 0.467 1302 D N 0.943 121.297 120.400 -0.076 0.000 2.403 1302 D HA -0.020 4.618 4.640 -0.002 0.000 0.227 1302 D C -1.557 174.721 176.300 -0.037 0.000 0.995 1302 D CA -0.104 53.874 54.000 -0.035 0.000 0.928 1302 D CB -1.482 nan 40.800 nan 0.000 0.887 1302 D HN 0.281 nan 8.370 nan 0.000 0.529 1303 P HA 0.453 nan 4.420 nan 0.000 0.260 1303 P C -0.607 176.666 177.300 -0.044 0.000 1.651 1303 P CA -0.008 63.054 63.100 -0.062 0.000 1.139 1303 P CB 0.464 32.107 31.700 -0.096 0.000 1.756 1332 L N 0.654 121.874 121.223 -0.004 0.000 2.650 1332 L HA 0.884 5.223 4.340 -0.002 0.000 0.239 1332 L C 0.930 177.799 176.870 -0.001 0.000 1.412 1332 L CA 1.244 56.084 54.840 -0.000 0.000 1.219 1332 L CB -1.240 40.812 42.059 -0.012 0.000 1.534 1332 L HN 1.399 nan 8.230 nan 0.000 0.430 1333 E N -1.759 118.445 120.200 0.008 0.000 2.642 1333 E HA 0.389 4.738 4.350 -0.002 0.000 0.206 1333 E C 1.368 177.980 176.600 0.020 0.000 0.939 1333 E CA 1.451 57.858 56.400 0.012 0.000 1.372 1333 E CB -0.158 29.543 29.700 0.001 0.000 1.334 1333 E HN 1.054 nan 8.360 nan 0.000 0.709 1334 E N -0.284 119.926 120.200 0.017 0.000 2.244 1334 E HA 0.204 4.552 4.350 -0.002 0.000 0.196 1334 E C 1.650 178.263 176.600 0.021 0.000 0.939 1334 E CA 0.871 57.281 56.400 0.016 0.000 0.884 1334 E CB -0.728 28.977 29.700 0.008 0.000 0.850 1334 E HN 0.871 nan 8.360 nan 0.000 0.481 1335 N N -0.099 118.615 118.700 0.024 0.000 2.652 1335 N HA 0.438 5.177 4.740 -0.002 0.000 0.259 1335 N C 1.093 176.650 175.510 0.077 0.000 1.240 1335 N CA 1.177 54.247 53.050 0.033 0.000 0.951 1335 N CB -0.432 38.068 38.487 0.022 0.000 1.281 1335 N HN 0.781 nan 8.380 nan 0.000 0.507 1336 Q N -2.323 117.532 119.800 0.092 0.000 1.457 1336 Q HA 0.335 4.673 4.340 -0.002 0.000 0.152 1336 Q C 1.850 177.942 176.000 0.154 0.000 0.657 1336 Q CA 0.892 56.803 55.803 0.181 0.000 0.669 1336 Q CB -0.811 27.998 28.738 0.117 0.000 1.155 1336 Q HN 0.923 nan 8.270 nan 0.000 0.353 1337 R N 0.345 120.891 120.500 0.076 0.000 2.280 1337 R HA 0.393 4.732 4.340 -0.002 0.000 0.195 1337 R C 1.775 178.093 176.300 0.030 0.000 0.935 1337 R CA 1.953 58.086 56.100 0.054 0.000 1.033 1337 R CB -1.321 28.999 30.300 0.032 0.000 0.964 1337 R HN 1.068 nan 8.270 nan 0.000 0.489 1338 N N 0.037 118.747 118.700 0.018 0.000 2.482 1338 N HA 0.116 4.854 4.740 -0.002 0.000 0.179 1338 N C 1.730 177.211 175.510 -0.048 0.000 1.039 1338 N CA 0.761 53.805 53.050 -0.009 0.000 0.884 1338 N CB -0.048 38.434 38.487 -0.009 0.000 1.113 1338 N HN 0.215 nan 8.380 nan 0.000 0.440 1339 L N 0.377 121.551 121.223 -0.082 0.000 2.549 1339 L HA 0.151 4.489 4.340 -0.002 0.000 0.230 1339 L C 1.143 177.865 176.870 -0.246 0.000 1.162 1339 L CA 0.957 55.675 54.840 -0.203 0.000 0.834 1339 L CB -0.065 41.793 42.059 -0.336 0.000 0.947 1339 L HN 0.345 nan 8.230 nan 0.000 0.452 1340 L N -2.142 119.000 121.223 -0.134 0.000 2.575 1340 L HA 0.139 4.478 4.340 -0.002 0.000 0.228 1340 L C 2.134 178.986 176.870 -0.029 0.000 1.075 1340 L CA 0.650 55.436 54.840 -0.090 0.000 0.867 1340 L CB -0.894 41.155 42.059 -0.017 0.000 1.097 1340 L HN 0.295 nan 8.230 nan 0.000 0.485 1341 Q N 0.026 119.816 119.800 -0.017 0.000 2.245 1341 Q HA -0.083 4.256 4.340 -0.002 0.000 0.201 1341 Q C 2.258 178.271 176.000 0.022 0.000 0.955 1341 Q CA 1.272 57.077 55.803 0.004 0.000 0.870 1341 Q CB 0.175 28.915 28.738 0.002 0.000 0.945 1341 Q HN 0.585 nan 8.270 nan 0.000 0.461 1342 M N -2.725 116.884 119.600 0.016 0.000 2.325 1342 M HA 0.123 4.602 4.480 -0.002 0.000 0.265 1342 M C 1.765 178.132 176.300 0.112 0.000 1.094 1342 M CA 1.203 56.545 55.300 0.069 0.000 1.161 1342 M CB -0.332 32.277 32.600 0.014 0.000 1.358 1342 M HN -0.222 nan 8.290 nan 0.000 0.446 1343 T N 1.142 115.704 114.554 0.013 0.000 2.788 1343 T HA -0.138 4.211 4.350 -0.002 0.000 0.268 1343 T C 1.712 176.501 174.700 0.148 0.000 1.044 1343 T CA 1.973 64.089 62.100 0.026 0.000 1.139 1343 T CB -0.239 68.561 68.868 -0.115 0.000 0.867 1343 T HN 0.536 nan 8.240 nan 0.000 0.454 1344 E N 0.402 120.669 120.200 0.113 0.000 2.152 1344 E HA -0.082 4.267 4.350 -0.002 0.000 0.192 1344 E C 2.524 179.243 176.600 0.198 0.000 0.983 1344 E CA 1.185 57.682 56.400 0.162 0.000 0.818 1344 E CB -0.006 29.743 29.700 0.082 0.000 0.758 1344 E HN 0.504 nan 8.360 nan 0.000 0.467 1345 K N -0.124 120.373 120.400 0.162 0.000 2.166 1345 K HA -0.020 4.298 4.320 -0.002 0.000 0.201 1345 K C 1.555 178.267 176.600 0.186 0.000 1.052 1345 K CA 0.696 57.055 56.287 0.120 0.000 0.969 1345 K CB -0.618 31.931 32.500 0.082 0.000 0.761 1345 K HN 0.049 nan 8.250 nan 0.000 0.459 1346 F N -0.118 119.880 119.950 0.080 0.000 2.074 1346 F HA 0.092 4.617 4.527 -0.002 0.000 0.293 1346 F C 2.121 177.984 175.800 0.105 0.000 1.116 1346 F CA 1.231 59.275 58.000 0.073 0.000 1.212 1346 F CB -0.363 38.677 39.000 0.066 0.000 0.998 1346 F HN 0.226 nan 8.300 nan 0.000 0.471 1347 F N 0.212 120.304 119.950 0.236 0.000 2.184 1347 F HA -0.308 4.218 4.527 -0.002 0.000 0.301 1347 F C 2.799 178.618 175.800 0.033 0.000 1.076 1347 F CA 2.165 60.236 58.000 0.119 0.000 1.295 1347 F CB -0.837 38.197 39.000 0.057 0.000 1.026 1347 F HN 0.162 nan 8.300 nan 0.000 0.494 1348 H N -0.032 118.983 119.070 -0.092 0.000 2.357 1348 H HA -0.066 4.489 4.556 -0.002 0.000 0.301 1348 H C 2.178 177.349 175.328 -0.263 0.000 1.082 1348 H CA 1.403 57.330 56.048 -0.202 0.000 1.342 1348 H CB -0.305 29.422 29.762 -0.058 0.000 1.389 1348 H HN 0.344 nan 8.280 nan 0.000 0.511 1349 A N 2.073 124.832 122.820 -0.103 0.000 1.858 1349 A HA -0.146 4.173 4.320 -0.002 0.000 0.216 1349 A C 2.496 179.898 177.584 -0.303 0.000 1.190 1349 A CA 1.521 53.447 52.037 -0.186 0.000 0.617 1349 A CB -0.648 18.227 19.000 -0.209 0.000 0.827 1349 A HN 0.375 nan 8.150 nan 0.000 0.443 1350 I N 0.569 120.940 120.570 -0.333 0.000 2.093 1350 I HA -0.316 3.853 4.170 -0.002 0.000 0.239 1350 I C 2.215 177.818 176.117 -0.857 0.000 1.026 1350 I CA 2.352 63.384 61.300 -0.447 0.000 1.295 1350 I CB -1.630 36.171 38.000 -0.331 0.000 1.007 1350 I HN 0.581 nan 8.210 nan 0.000 0.401 1351 I N -0.992 118.950 120.570 -1.047 0.000 3.735 1351 I HA 0.044 4.213 4.170 -0.002 0.000 0.310 1351 I C 1.581 177.321 176.117 -0.628 0.000 1.270 1351 I CA 0.679 61.232 61.300 -1.245 0.000 1.207 1351 I CB -0.806 36.534 38.000 -1.101 0.000 1.013 1351 I HN 0.231 nan 8.210 nan 0.000 0.452 1352 S N -0.760 114.659 115.700 -0.469 0.000 2.666 1352 S HA 0.171 4.639 4.470 -0.002 0.000 0.239 1352 S C 1.177 175.723 174.600 -0.090 0.000 1.031 1352 S CA 0.127 58.175 58.200 -0.255 0.000 1.015 1352 S CB -0.643 62.352 63.200 -0.341 0.000 0.981 1352 S HN 0.452 nan 8.310 nan 0.000 0.547 1353 S N 1.606 117.284 115.700 -0.037 0.000 2.618 1353 S HA 0.191 4.660 4.470 -0.002 0.000 0.242 1353 S C 1.313 176.099 174.600 0.309 0.000 0.972 1353 S CA 0.098 58.388 58.200 0.150 0.000 1.004 1353 S CB -0.278 63.039 63.200 0.194 0.000 0.778 1353 S HN 0.556 nan 8.310 nan 0.000 0.459 1354 S N 1.356 117.208 115.700 0.253 0.000 2.496 1354 S HA -0.059 4.409 4.470 -0.002 0.000 0.224 1354 S C 1.785 176.476 174.600 0.152 0.000 0.996 1354 S CA 0.527 58.858 58.200 0.218 0.000 0.927 1354 S CB -0.735 62.562 63.200 0.160 0.000 0.774 1354 S HN 0.637 nan 8.310 nan 0.000 0.524 1355 S N 1.690 117.465 115.700 0.124 0.000 2.447 1355 S HA 0.020 4.488 4.470 -0.002 0.000 0.233 1355 S C 0.902 175.562 174.600 0.100 0.000 1.006 1355 S CA 0.681 58.935 58.200 0.089 0.000 0.957 1355 S CB -0.402 62.835 63.200 0.061 0.000 0.773 1355 S HN 0.701 nan 8.310 nan 0.000 0.507 1356 E N 0.228 120.516 120.200 0.148 0.000 2.685 1356 E HA 0.354 4.702 4.350 -0.002 0.000 0.208 1356 E C -0.891 175.761 176.600 0.087 0.000 0.996 1356 E CA -0.463 56.021 56.400 0.141 0.000 1.054 1356 E CB 0.229 30.049 29.700 0.200 0.000 1.075 1356 E HN 0.441 nan 8.360 nan 0.000 0.460 1357 F N 3.496 123.354 119.950 -0.152 0.000 2.424 1357 F HA 0.294 4.819 4.527 -0.003 0.000 0.356 1357 F C -2.049 173.614 175.800 -0.228 0.000 1.110 1357 F CA -3.286 54.488 58.000 -0.376 0.000 1.161 1357 F CB 0.699 39.532 39.000 -0.279 0.000 1.115 1357 F HN -0.083 nan 8.300 nan 0.000 0.507 1358 P HA 0.074 nan 4.420 nan 0.000 0.263 1358 P C -2.510 174.528 177.300 -0.436 0.000 1.195 1358 P CA -0.996 61.820 63.100 -0.474 0.000 0.762 1358 P CB 0.642 32.090 31.700 -0.421 0.000 0.799 1359 P HA -0.006 nan 4.420 nan 0.000 0.236 1359 P C 1.528 178.778 177.300 -0.085 0.000 1.177 1359 P CA 0.912 63.946 63.100 -0.109 0.000 0.773 1359 P CB 0.203 31.863 31.700 -0.067 0.000 0.878 1360 Q N -0.882 118.832 119.800 -0.143 0.000 2.378 1360 Q HA 0.033 4.371 4.340 -0.002 0.000 0.205 1360 Q C 1.755 177.766 176.000 0.019 0.000 0.954 1360 Q CA 0.619 56.349 55.803 -0.122 0.000 0.901 1360 Q CB -0.324 28.189 28.738 -0.375 0.000 0.981 1360 Q HN 0.243 nan 8.270 nan 0.000 0.483 1361 L N -0.510 120.673 121.223 -0.067 0.000 2.249 1361 L HA 0.017 4.355 4.340 -0.002 0.000 0.207 1361 L C 2.083 179.046 176.870 0.154 0.000 1.090 1361 L CA 0.361 55.212 54.840 0.018 0.000 0.802 1361 L CB -0.006 41.876 42.059 -0.295 0.000 0.947 1361 L HN 0.129 nan 8.230 nan 0.000 0.453 1362 R N -0.318 120.272 120.500 0.150 0.000 2.170 1362 R HA -0.155 4.184 4.340 -0.002 0.000 0.242 1362 R C 2.222 178.611 176.300 0.150 0.000 1.145 1362 R CA 1.723 57.981 56.100 0.263 0.000 0.984 1362 R CB -0.296 30.117 30.300 0.188 0.000 0.869 1362 R HN 0.471 nan 8.270 nan 0.000 0.455 1363 S N -0.261 115.496 115.700 0.095 0.000 2.439 1363 S HA 0.006 4.475 4.470 -0.002 0.000 0.224 1363 S C 2.076 176.551 174.600 -0.208 0.000 1.029 1363 S CA 0.327 58.516 58.200 -0.017 0.000 0.946 1363 S CB -0.121 63.125 63.200 0.077 0.000 0.797 1363 S HN -0.001 nan 8.310 nan 0.000 0.504 1364 V N 1.607 121.515 119.914 -0.010 0.000 2.427 1364 V HA -0.174 3.945 4.120 -0.002 0.000 0.248 1364 V C 2.623 178.727 176.094 0.017 0.000 1.051 1364 V CA 1.564 63.857 62.300 -0.011 0.000 1.048 1364 V CB -0.994 30.890 31.823 0.101 0.000 0.666 1364 V HN 0.639 nan 8.190 nan 0.000 0.456 1365 C N -0.809 118.550 119.300 0.098 0.000 2.486 1365 C HA -0.080 4.379 4.460 -0.002 0.000 0.279 1365 C C 2.732 177.762 174.990 0.066 0.000 1.302 1365 C CA 0.985 60.063 59.018 0.099 0.000 1.720 1365 C CB -1.123 26.691 27.740 0.125 0.000 2.030 1365 C HN 0.750 nan 8.230 nan 0.000 0.490 1366 H N -0.048 119.024 119.070 0.003 0.000 2.352 1366 H HA -0.196 4.358 4.556 -0.003 0.000 0.299 1366 H C 2.323 177.711 175.328 0.099 0.000 1.097 1366 H CA 2.281 58.339 56.048 0.017 0.000 1.311 1366 H CB -0.556 29.184 29.762 -0.036 0.000 1.377 1366 H HN 0.517 nan 8.280 nan 0.000 0.504 1367 C N -0.236 119.061 119.300 -0.006 0.000 2.418 1367 C HA -0.153 4.306 4.460 -0.002 0.000 0.280 1367 C C 2.823 177.873 174.990 0.101 0.000 1.223 1367 C CA 1.251 60.282 59.018 0.022 0.000 1.736 1367 C CB -1.517 26.101 27.740 -0.203 0.000 2.056 1367 C HN 0.743 nan 8.230 nan 0.000 0.459 1368 L N 0.449 121.761 121.223 0.149 0.000 2.010 1368 L HA -0.199 4.139 4.340 -0.002 0.000 0.219 1368 L C 2.291 179.183 176.870 0.035 0.000 1.077 1368 L CA 2.989 57.918 54.840 0.148 0.000 0.773 1368 L CB -1.620 40.424 42.059 -0.024 0.000 0.892 1368 L HN 0.623 nan 8.230 nan 0.000 0.436 1369 Y N 0.399 120.639 120.300 -0.099 0.000 2.062 1369 Y HA -0.381 4.168 4.550 -0.003 0.000 0.276 1369 Y C 2.649 178.494 175.900 -0.092 0.000 1.189 1369 Y CA 2.685 60.716 58.100 -0.115 0.000 1.130 1369 Y CB -0.420 37.934 38.460 -0.178 0.000 0.959 1369 Y HN 0.444 nan 8.280 nan 0.000 0.499 1370 Q N -1.104 118.668 119.800 -0.047 0.000 2.378 1370 Q HA -0.065 4.274 4.340 -0.002 0.000 0.205 1370 Q C 2.149 178.141 176.000 -0.013 0.000 0.954 1370 Q CA 0.996 56.783 55.803 -0.026 0.000 0.901 1370 Q CB 0.142 28.968 28.738 0.146 0.000 0.981 1370 Q HN 0.435 nan 8.270 nan 0.000 0.483 1371 V N -0.381 119.443 119.914 -0.150 0.000 2.283 1371 V HA -0.197 3.921 4.120 -0.002 0.000 0.243 1371 V C 2.206 178.177 176.094 -0.205 0.000 1.039 1371 V CA 1.226 63.287 62.300 -0.398 0.000 1.016 1371 V CB -0.572 30.959 31.823 -0.488 0.000 0.650 1371 V HN 0.129 nan 8.190 nan 0.000 0.449 1372 V N 0.359 120.200 119.914 -0.121 0.000 2.282 1372 V HA -0.275 3.844 4.120 -0.002 0.000 0.249 1372 V C 2.536 178.582 176.094 -0.080 0.000 1.057 1372 V CA 2.504 64.782 62.300 -0.036 0.000 1.032 1372 V CB -0.886 30.927 31.823 -0.018 0.000 0.645 1372 V HN 0.563 nan 8.190 nan 0.000 0.447 1373 S N -0.958 114.633 115.700 -0.182 0.000 2.474 1373 S HA -0.163 4.305 4.470 -0.002 0.000 0.235 1373 S C 1.923 176.457 174.600 -0.111 0.000 0.997 1373 S CA 0.652 58.746 58.200 -0.178 0.000 0.949 1373 S CB -0.278 62.743 63.200 -0.297 0.000 0.766 1373 S HN 0.550 nan 8.310 nan 0.000 0.517 1374 Q N 0.716 120.454 119.800 -0.103 0.000 2.226 1374 Q HA 0.008 4.346 4.340 -0.002 0.000 0.204 1374 Q C 2.035 177.944 176.000 -0.150 0.000 0.975 1374 Q CA 1.230 56.987 55.803 -0.077 0.000 0.866 1374 Q CB -0.085 28.618 28.738 -0.058 0.000 0.915 1374 Q HN 0.513 nan 8.270 nan 0.000 0.440 1375 R N -2.031 118.316 120.500 -0.257 0.000 2.320 1375 R HA 0.150 4.488 4.340 -0.002 0.000 0.193 1375 R C -0.365 175.655 176.300 -0.466 0.000 0.885 1375 R CA 0.060 55.866 56.100 -0.490 0.000 1.085 1375 R CB 0.941 30.720 30.300 -0.869 0.000 1.253 1375 R HN -0.023 nan 8.270 nan 0.000 0.636 1376 F N 1.452 121.361 119.950 -0.068 0.000 2.443 1376 F HA 0.420 4.947 4.527 -0.001 0.000 0.369 1376 F C -2.160 173.595 175.800 -0.075 0.000 1.090 1376 F CA -2.658 55.304 58.000 -0.062 0.000 1.129 1376 F CB 2.056 41.019 39.000 -0.063 0.000 1.367 1376 F HN -0.080 nan 8.300 nan 0.000 0.465 1377 P HA 0.138 nan 4.420 nan 0.000 0.262 1377 P C 0.179 177.516 177.300 0.062 0.000 1.651 1377 P CA 0.177 63.304 63.100 0.045 0.000 1.119 1377 P CB 0.416 32.123 31.700 0.012 0.000 1.552 1378 Q N 0.296 120.147 119.800 0.086 0.000 2.664 1378 Q HA 0.451 4.789 4.340 -0.002 0.000 0.223 1378 Q C 1.206 177.234 176.000 0.047 0.000 1.298 1378 Q CA 0.698 56.536 55.803 0.059 0.000 0.965 1378 Q CB -1.774 26.993 28.738 0.047 0.000 1.510 1378 Q HN 0.394 nan 8.270 nan 0.000 0.567 1379 N N -0.150 118.588 118.700 0.063 0.000 3.634 1379 N HA -0.355 4.384 4.740 -0.002 0.000 0.229 1379 N C 1.961 177.505 175.510 0.057 0.000 0.175 1379 N CA 4.051 57.148 53.050 0.079 0.000 3.570 1379 N CB -2.041 36.495 38.487 0.082 0.000 1.183 1379 N HN 2.355 nan 8.380 nan 0.000 0.257 1380 S N -1.374 114.338 115.700 0.020 0.000 2.115 1380 S HA -0.358 4.111 4.470 -0.002 0.000 0.227 1380 S C 1.513 176.115 174.600 0.003 0.000 1.127 1380 S CA 2.822 61.011 58.200 -0.018 0.000 1.645 1380 S CB -2.396 60.755 63.200 -0.082 0.000 2.159 1380 S HN 2.543 nan 8.310 nan 0.000 0.584 1381 I N 2.828 123.474 120.570 0.125 0.000 2.454 1381 I HA 0.036 4.204 4.170 -0.002 0.000 0.254 1381 I C 2.250 178.422 176.117 0.092 0.000 1.156 1381 I CA 2.080 63.532 61.300 0.253 0.000 1.433 1381 I CB -1.370 36.846 38.000 0.360 0.000 1.082 1381 I HN 0.579 nan 8.210 nan 0.000 0.432 1382 G N 0.620 109.438 108.800 0.030 0.000 2.432 1382 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.219 1382 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.219 1382 G C 1.748 176.563 174.900 -0.141 0.000 1.135 1382 G CA 0.763 45.806 45.100 -0.095 0.000 0.767 1382 G HN 0.585 nan 8.290 nan 0.000 0.550 1383 A N 0.222 122.990 122.820 -0.087 0.000 1.898 1383 A HA 0.108 4.427 4.320 -0.002 0.000 0.216 1383 A C 2.601 180.121 177.584 -0.105 0.000 1.181 1383 A CA 1.699 53.695 52.037 -0.068 0.000 0.620 1383 A CB -0.591 18.403 19.000 -0.010 0.000 0.819 1383 A HN 0.238 nan 8.150 nan 0.000 0.442 1384 V N 0.098 119.943 119.914 -0.116 0.000 2.287 1384 V HA -0.224 3.894 4.120 -0.002 0.000 0.248 1384 V C 2.834 178.726 176.094 -0.335 0.000 1.053 1384 V CA 2.105 64.315 62.300 -0.150 0.000 1.027 1384 V CB -1.570 30.213 31.823 -0.068 0.000 0.646 1384 V HN 0.601 nan 8.190 nan 0.000 0.447 1385 G N -0.300 108.108 108.800 -0.653 0.000 2.422 1385 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.218 1385 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.218 1385 G C 1.763 176.384 174.900 -0.466 0.000 1.146 1385 G CA 1.213 45.510 45.100 -1.338 0.000 0.769 1385 G HN 0.569 nan 8.290 nan 0.000 0.547 1386 S N 1.187 116.754 115.700 -0.222 0.000 2.406 1386 S HA 0.132 4.601 4.470 -0.002 0.000 0.228 1386 S C 2.696 177.308 174.600 0.019 0.000 1.020 1386 S CA 0.954 59.132 58.200 -0.037 0.000 0.965 1386 S CB -0.233 62.944 63.200 -0.038 0.000 0.798 1386 S HN 0.554 nan 8.310 nan 0.000 0.488 1387 A N 1.644 124.458 122.820 -0.010 0.000 1.898 1387 A HA 0.061 4.380 4.320 -0.002 0.000 0.216 1387 A C 2.129 179.776 177.584 0.105 0.000 1.181 1387 A CA 1.192 53.279 52.037 0.083 0.000 0.620 1387 A CB -0.548 18.472 19.000 0.034 0.000 0.819 1387 A HN 0.444 nan 8.150 nan 0.000 0.442 1388 M N -1.978 117.592 119.600 -0.049 0.000 2.062 1388 M HA -0.053 4.426 4.480 -0.002 0.000 0.259 1388 M C 2.003 178.234 176.300 -0.114 0.000 1.076 1388 M CA 1.805 56.958 55.300 -0.245 0.000 1.122 1388 M CB -0.287 32.160 32.600 -0.255 0.000 1.312 1388 M HN 0.408 nan 8.290 nan 0.000 0.412 1389 F N 0.426 120.396 119.950 0.033 0.000 2.120 1389 F HA -0.283 4.243 4.527 -0.002 0.000 0.300 1389 F C 2.155 177.992 175.800 0.060 0.000 1.095 1389 F CA 1.562 59.614 58.000 0.086 0.000 1.249 1389 F CB -0.787 38.295 39.000 0.137 0.000 0.995 1389 F HN 0.158 nan 8.300 nan 0.000 0.480 1390 L N 0.070 121.430 121.223 0.227 0.000 2.093 1390 L HA -0.079 4.260 4.340 -0.002 0.000 0.208 1390 L C 1.462 178.421 176.870 0.148 0.000 1.085 1390 L CA 1.883 56.825 54.840 0.168 0.000 0.755 1390 L CB -0.295 41.844 42.059 0.132 0.000 0.904 1390 L HN 0.001 nan 8.230 nan 0.000 0.435 1391 R N -2.228 118.360 120.500 0.147 0.000 2.700 1391 R HA 0.165 4.504 4.340 -0.002 0.000 0.399 1391 R C -0.213 176.216 176.300 0.216 0.000 1.115 1391 R CA 0.031 56.247 56.100 0.193 0.000 1.058 1391 R CB 0.400 30.860 30.300 0.266 0.000 1.389 1391 R HN 0.313 nan 8.270 nan 0.000 0.582 1392 F N -1.111 118.780 119.950 -0.098 0.000 1.747 1392 F HA 0.250 4.776 4.527 -0.002 0.000 0.270 1392 F C 0.833 176.582 175.800 -0.084 0.000 1.166 1392 F CA -0.031 57.868 58.000 -0.168 0.000 1.295 1392 F CB -0.112 38.577 39.000 -0.519 0.000 1.789 1392 F HN -0.172 nan 8.300 nan 0.000 0.368 1393 I N 1.229 121.582 120.570 -0.363 0.000 2.130 1393 I HA -0.194 3.975 4.170 -0.002 0.000 0.234 1393 I C 1.862 177.943 176.117 -0.060 0.000 1.067 1393 I CA 1.538 62.630 61.300 -0.346 0.000 1.339 1393 I CB -0.657 37.146 38.000 -0.327 0.000 1.073 1393 I HN 0.159 nan 8.210 nan 0.000 0.405 1394 N N 0.614 119.374 118.700 0.099 0.000 2.205 1394 N HA -0.129 4.610 4.740 -0.002 0.000 0.186 1394 N C -0.891 174.665 175.510 0.076 0.000 1.015 1394 N CA 1.414 54.546 53.050 0.135 0.000 0.862 1394 N CB -1.443 37.157 38.487 0.187 0.000 0.986 1394 N HN 0.212 nan 8.380 nan 0.000 0.429 1395 P HA -0.108 nan 4.420 nan 0.000 0.215 1395 P C 0.806 178.130 177.300 0.040 0.000 1.157 1395 P CA 1.723 64.862 63.100 0.064 0.000 0.874 1395 P CB -0.042 31.711 31.700 0.088 0.000 0.790 1396 A N -2.177 120.648 122.820 0.008 0.000 2.123 1396 A HA 0.025 4.344 4.320 -0.002 0.000 0.214 1396 A C 2.118 179.708 177.584 0.010 0.000 1.152 1396 A CA 0.626 52.662 52.037 -0.003 0.000 0.728 1396 A CB -1.199 17.767 19.000 -0.058 0.000 0.814 1396 A HN 0.125 nan 8.150 nan 0.000 0.464 1397 I N -1.168 119.414 120.570 0.020 0.000 2.494 1397 I HA -0.101 4.068 4.170 -0.002 0.000 0.250 1397 I C 2.217 178.334 176.117 0.001 0.000 1.112 1397 I CA 0.519 61.837 61.300 0.030 0.000 1.438 1397 I CB 0.147 38.179 38.000 0.055 0.000 1.111 1397 I HN 0.150 nan 8.210 nan 0.000 0.431 1398 V N 0.065 119.986 119.914 0.012 0.000 2.214 1398 V HA -0.232 3.886 4.120 -0.002 0.000 0.244 1398 V C 0.824 176.924 176.094 0.010 0.000 1.045 1398 V CA 1.453 63.758 62.300 0.008 0.000 0.993 1398 V CB -0.640 31.198 31.823 0.025 0.000 0.633 1398 V HN 0.307 nan 8.190 nan 0.000 0.449 1399 S N 2.172 117.885 115.700 0.022 0.000 2.422 1399 S HA 0.356 4.824 4.470 -0.002 0.000 0.308 1399 S C -2.328 172.287 174.600 0.026 0.000 1.097 1399 S CA -0.834 57.380 58.200 0.024 0.000 1.099 1399 S CB 1.354 64.572 63.200 0.031 0.000 0.976 1399 S HN 0.408 nan 8.310 nan 0.000 0.471 1400 P HA 0.178 nan 4.420 nan 0.000 0.230 1400 P C 0.028 177.345 177.300 0.029 0.000 1.791 1400 P CA 0.089 63.205 63.100 0.027 0.000 1.020 1400 P CB -0.670 31.047 31.700 0.027 0.000 1.977 1401 Y N -0.687 119.633 120.300 0.034 0.000 2.467 1401 Y HA 0.359 4.908 4.550 -0.002 0.000 0.259 1401 Y C 1.992 177.919 175.900 0.045 0.000 1.084 1401 Y CA 0.438 58.561 58.100 0.037 0.000 1.275 1401 Y CB -0.198 38.285 38.460 0.038 0.000 1.208 1401 Y HN 0.324 nan 8.280 nan 0.000 0.511 1402 E N 0.926 121.156 120.200 0.049 0.000 2.394 1402 E HA 0.684 5.033 4.350 -0.002 0.000 0.191 1402 E C 0.572 177.205 176.600 0.055 0.000 1.044 1402 E CA 0.347 56.783 56.400 0.061 0.000 0.939 1402 E CB -0.497 29.248 29.700 0.075 0.000 1.089 1402 E HN 1.192 nan 8.360 nan 0.000 0.456 1413 I N 0.179 120.743 120.570 -0.010 0.000 2.113 1413 I HA -0.024 4.145 4.170 -0.002 0.000 0.238 1413 I C 2.415 178.521 176.117 -0.019 0.000 1.070 1413 I CA 2.349 63.642 61.300 -0.013 0.000 1.332 1413 I CB 0.114 38.108 38.000 -0.010 0.000 1.044 1413 I HN 0.305 nan 8.210 nan 0.000 0.402 1414 I N 0.232 120.790 120.570 -0.019 0.000 3.228 1414 I HA 0.135 4.304 4.170 -0.002 0.000 0.279 1414 I C 2.576 178.672 176.117 -0.036 0.000 1.221 1414 I CA 1.542 62.824 61.300 -0.029 0.000 1.458 1414 I CB -1.872 36.115 38.000 -0.021 0.000 1.105 1414 I HN 0.479 nan 8.210 nan 0.000 0.445 1415 E N 1.109 121.295 120.200 -0.023 0.000 2.077 1415 E HA -0.201 4.148 4.350 -0.002 0.000 0.193 1415 E C 2.501 179.086 176.600 -0.025 0.000 0.989 1415 E CA 2.211 58.599 56.400 -0.020 0.000 0.800 1415 E CB -1.057 28.638 29.700 -0.008 0.000 0.746 1415 E HN 0.906 nan 8.360 nan 0.000 0.452 1416 R N 0.279 120.765 120.500 -0.023 0.000 2.119 1416 R HA 0.259 4.598 4.340 -0.002 0.000 0.222 1416 R C 2.811 179.088 176.300 -0.039 0.000 1.088 1416 R CA 1.375 57.462 56.100 -0.022 0.000 0.984 1416 R CB -1.396 28.895 30.300 -0.015 0.000 0.884 1416 R HN 0.614 nan 8.270 nan 0.000 0.447 1417 G N 0.029 108.799 108.800 -0.051 0.000 2.625 1417 G HA2 0.035 3.994 3.960 -0.002 0.000 0.214 1417 G HA3 0.035 3.994 3.960 -0.002 0.000 0.214 1417 G C 1.439 176.267 174.900 -0.119 0.000 1.132 1417 G CA 0.720 45.774 45.100 -0.077 0.000 0.782 1417 G HN 0.446 nan 8.290 nan 0.000 0.538 1418 L N -0.794 120.363 121.223 -0.109 0.000 2.286 1418 L HA 0.232 4.570 4.340 -0.002 0.000 0.203 1418 L C 2.645 179.456 176.870 -0.098 0.000 1.068 1418 L CA 0.260 55.014 54.840 -0.143 0.000 0.811 1418 L CB -0.150 41.835 42.059 -0.123 0.000 0.989 1418 L HN -0.070 nan 8.230 nan 0.000 0.467 1419 K N 0.737 121.105 120.400 -0.053 0.000 2.211 1419 K HA -0.135 4.184 4.320 -0.002 0.000 0.204 1419 K C 1.853 178.445 176.600 -0.013 0.000 1.047 1419 K CA 1.447 57.723 56.287 -0.019 0.000 0.935 1419 K CB -0.070 32.432 32.500 0.002 0.000 0.728 1419 K HN 0.291 nan 8.250 nan 0.000 0.452 1420 L N -0.583 120.616 121.223 -0.040 0.000 2.221 1420 L HA 0.034 4.373 4.340 -0.002 0.000 0.202 1420 L C 2.630 179.444 176.870 -0.095 0.000 1.074 1420 L CA 0.292 55.108 54.840 -0.039 0.000 0.795 1420 L CB -0.331 41.699 42.059 -0.048 0.000 0.960 1420 L HN 0.093 nan 8.230 nan 0.000 0.458 1421 M N -0.137 119.370 119.600 -0.155 0.000 2.089 1421 M HA -0.321 4.158 4.480 -0.002 0.000 0.257 1421 M C 2.532 178.768 176.300 -0.106 0.000 1.071 1421 M CA 2.364 57.557 55.300 -0.178 0.000 1.096 1421 M CB -0.149 32.315 32.600 -0.227 0.000 1.330 1421 M HN 0.299 nan 8.290 nan 0.000 0.403 1422 S N -0.158 115.505 115.700 -0.063 0.000 2.419 1422 S HA -0.155 4.314 4.470 -0.002 0.000 0.233 1422 S C 1.810 176.418 174.600 0.013 0.000 1.016 1422 S CA 1.252 59.447 58.200 -0.008 0.000 0.974 1422 S CB -0.283 62.924 63.200 0.013 0.000 0.786 1422 S HN 0.506 nan 8.310 nan 0.000 0.492 1423 K N 0.587 121.013 120.400 0.043 0.000 2.076 1423 K HA 0.132 4.450 4.320 -0.002 0.000 0.204 1423 K C 2.077 178.783 176.600 0.175 0.000 1.051 1423 K CA 1.184 57.553 56.287 0.137 0.000 0.949 1423 K CB -0.409 32.225 32.500 0.225 0.000 0.726 1423 K HN 0.488 nan 8.250 nan 0.000 0.443 1424 I N 1.362 122.003 120.570 0.119 0.000 2.252 1424 I HA -0.259 3.910 4.170 -0.002 0.000 0.245 1424 I C 2.242 178.287 176.117 -0.121 0.000 1.102 1424 I CA 1.123 62.466 61.300 0.071 0.000 1.385 1424 I CB -0.266 37.684 38.000 -0.084 0.000 1.064 1424 I HN 0.042 nan 8.210 nan 0.000 0.414 1425 L N -0.109 121.003 121.223 -0.186 0.000 2.156 1425 L HA -0.164 4.175 4.340 -0.002 0.000 0.208 1425 L C 2.546 179.173 176.870 -0.404 0.000 1.095 1425 L CA 0.907 55.519 54.840 -0.380 0.000 0.770 1425 L CB -0.522 41.337 42.059 -0.333 0.000 0.914 1425 L HN 0.261 nan 8.230 nan 0.000 0.439 1426 Q N -0.168 119.521 119.800 -0.186 0.000 2.172 1426 Q HA -0.118 4.220 4.340 -0.002 0.000 0.200 1426 Q C 2.359 178.280 176.000 -0.131 0.000 0.964 1426 Q CA 1.406 57.146 55.803 -0.106 0.000 0.855 1426 Q CB 0.022 28.746 28.738 -0.023 0.000 0.918 1426 Q HN 0.217 nan 8.270 nan 0.000 0.444 1427 S N -0.499 115.091 115.700 -0.183 0.000 2.368 1427 S HA -0.087 4.382 4.470 -0.002 0.000 0.225 1427 S C 1.690 176.207 174.600 -0.137 0.000 1.030 1427 S CA 1.134 59.190 58.200 -0.239 0.000 0.999 1427 S CB -0.240 62.726 63.200 -0.389 0.000 0.844 1427 S HN 0.418 nan 8.310 nan 0.000 0.459 1428 I N 1.504 121.975 120.570 -0.165 0.000 2.127 1428 I HA -0.243 3.926 4.170 -0.002 0.000 0.241 1428 I C 2.622 178.797 176.117 0.097 0.000 1.075 1428 I CA 1.327 62.559 61.300 -0.113 0.000 1.334 1428 I CB -0.453 37.332 38.000 -0.357 0.000 1.040 1428 I HN 0.269 nan 8.210 nan 0.000 0.405 1429 A N 0.299 123.145 122.820 0.044 0.000 1.940 1429 A HA -0.225 4.094 4.320 -0.002 0.000 0.219 1429 A C 2.027 179.662 177.584 0.086 0.000 1.176 1429 A CA 2.031 54.200 52.037 0.220 0.000 0.631 1429 A CB -0.858 18.271 19.000 0.215 0.000 0.814 1429 A HN 0.553 nan 8.150 nan 0.000 0.446 1430 N N -1.884 116.840 118.700 0.040 0.000 2.422 1430 N HA -0.032 4.706 4.740 -0.002 0.000 0.181 1430 N C -0.627 174.917 175.510 0.057 0.000 1.080 1430 N CA 0.356 53.398 53.050 -0.013 0.000 0.893 1430 N CB 0.094 38.557 38.487 -0.039 0.000 0.973 1430 N HN 0.496 nan 8.380 nan 0.000 0.456 1431 H N -0.514 118.548 119.070 -0.013 0.000 2.750 1431 H HA -0.097 4.458 4.556 -0.002 0.000 0.327 1431 H C -1.217 174.078 175.328 -0.054 0.000 1.199 1431 H CA 0.173 56.210 56.048 -0.019 0.000 1.149 1431 H CB -1.812 27.958 29.762 0.013 0.000 1.543 1431 H HN -0.071 nan 8.280 nan 0.000 0.427 1432 V N 1.522 121.439 119.914 0.006 0.000 2.817 1432 V HA 0.343 4.462 4.120 -0.002 0.000 0.303 1432 V C 0.298 176.288 176.094 -0.174 0.000 1.151 1432 V CA -0.839 61.414 62.300 -0.078 0.000 0.929 1432 V CB 2.642 34.405 31.823 -0.100 0.000 1.030 1432 V HN 0.236 nan 8.190 nan 0.000 0.427 1433 L N 3.448 124.585 121.223 -0.143 0.000 2.375 1433 L HA 0.610 4.949 4.340 -0.002 0.000 0.268 1433 L C -0.556 176.200 176.870 -0.189 0.000 1.058 1433 L CA -0.552 54.198 54.840 -0.149 0.000 0.803 1433 L CB 1.069 43.108 42.059 -0.033 0.000 1.212 1433 L HN 0.438 nan 8.230 nan 0.000 0.451 1434 F N 0.168 120.098 119.950 -0.033 0.000 2.504 1434 F HA 0.145 4.671 4.527 -0.002 0.000 0.369 1434 F C 1.234 177.003 175.800 -0.052 0.000 1.082 1434 F CA -0.022 57.948 58.000 -0.050 0.000 1.216 1434 F CB 0.804 39.763 39.000 -0.069 0.000 1.108 1434 F HN 0.603 nan 8.300 nan 0.000 0.554 1435 T N -0.087 114.541 114.554 0.123 0.000 3.479 1435 T HA 0.079 4.428 4.350 -0.002 0.000 0.197 1435 T C 1.703 176.430 174.700 0.044 0.000 0.912 1435 T CA -0.028 62.107 62.100 0.057 0.000 1.281 1435 T CB -0.204 68.678 68.868 0.025 0.000 1.588 1435 T HN 0.485 nan 8.240 nan 0.000 0.389 1436 K N 1.585 122.007 120.400 0.037 0.000 2.155 1436 K HA 0.025 4.344 4.320 -0.002 0.000 0.203 1436 K C 1.145 177.759 176.600 0.023 0.000 1.052 1436 K CA 1.039 57.341 56.287 0.026 0.000 0.948 1436 K CB -0.264 32.251 32.500 0.025 0.000 0.728 1436 K HN 0.498 nan 8.250 nan 0.000 0.448 1437 E N 2.101 122.317 120.200 0.028 0.000 1.791 1437 E HA -0.025 4.324 4.350 -0.002 0.000 0.263 1437 E C -0.574 175.918 176.600 -0.179 0.000 1.213 1437 E CA -0.086 56.291 56.400 -0.039 0.000 0.991 1437 E CB 0.305 30.000 29.700 -0.009 0.000 1.068 1437 E HN 0.251 nan 8.360 nan 0.000 0.417 1438 E N 1.780 121.927 120.200 -0.089 0.000 2.394 1438 E HA -0.017 4.332 4.350 -0.002 0.000 0.191 1438 E C 0.573 177.120 176.600 -0.089 0.000 1.044 1438 E CA -0.023 56.325 56.400 -0.087 0.000 0.939 1438 E CB 0.213 29.901 29.700 -0.021 0.000 1.089 1438 E HN 0.581 nan 8.360 nan 0.000 0.456 1439 H N -1.272 117.716 119.070 -0.138 0.000 2.592 1439 H HA 0.147 4.701 4.556 -0.002 0.000 0.265 1439 H C 1.188 176.336 175.328 -0.300 0.000 0.955 1439 H CA 0.041 55.983 56.048 -0.175 0.000 1.175 1439 H CB 0.282 29.980 29.762 -0.107 0.000 1.433 1439 H HN 0.190 nan 8.280 nan 0.000 0.537 1440 M N 0.754 119.974 119.600 -0.633 0.000 2.371 1440 M HA 0.160 4.638 4.480 -0.002 0.000 0.246 1440 M C 1.764 177.593 176.300 -0.786 0.000 1.103 1440 M CA -0.039 54.747 55.300 -0.856 0.000 1.010 1440 M CB 0.068 31.706 32.600 -1.603 0.000 1.457 1440 M HN 0.075 nan 8.290 nan 0.000 0.486 1441 R N 1.968 122.200 120.500 -0.447 0.000 2.153 1441 R HA -0.142 4.197 4.340 -0.002 0.000 0.252 1441 R C -0.816 175.327 176.300 -0.263 0.000 1.158 1441 R CA 2.064 58.031 56.100 -0.221 0.000 0.975 1441 R CB -1.700 28.509 30.300 -0.151 0.000 0.871 1441 R HN 0.250 nan 8.270 nan 0.000 0.450 1442 P HA -0.116 nan 4.420 nan 0.000 0.218 1442 P C 0.515 177.569 177.300 -0.410 0.000 1.149 1442 P CA 1.218 64.019 63.100 -0.498 0.000 0.817 1442 P CB -0.066 31.206 31.700 -0.712 0.000 0.785 1443 F N -0.247 119.649 119.950 -0.090 0.000 2.797 1443 F HA 0.161 4.686 4.527 -0.002 0.000 0.302 1443 F C 1.854 177.675 175.800 0.036 0.000 1.130 1443 F CA -0.189 57.786 58.000 -0.042 0.000 1.387 1443 F CB -1.751 37.206 39.000 -0.072 0.000 1.107 1443 F HN -0.056 nan 8.300 nan 0.000 0.577 1444 N N 0.294 119.087 118.700 0.156 0.000 2.635 1444 N HA -0.140 4.599 4.740 -0.002 0.000 0.191 1444 N C 0.748 176.307 175.510 0.080 0.000 1.155 1444 N CA 0.647 53.796 53.050 0.164 0.000 0.927 1444 N CB 0.028 38.592 38.487 0.127 0.000 0.976 1444 N HN 0.266 nan 8.380 nan 0.000 0.448 1445 D N -0.977 119.461 120.400 0.065 0.000 2.422 1445 D HA -0.025 4.614 4.640 -0.002 0.000 0.218 1445 D C 1.883 178.206 176.300 0.038 0.000 1.047 1445 D CA 0.183 54.205 54.000 0.036 0.000 0.885 1445 D CB -0.438 40.374 40.800 0.020 0.000 1.035 1445 D HN 0.261 nan 8.370 nan 0.000 0.502 1446 F N 1.599 121.591 119.950 0.070 0.000 2.146 1446 F HA -0.107 4.419 4.527 -0.002 0.000 0.298 1446 F C 2.713 178.503 175.800 -0.016 0.000 1.096 1446 F CA 0.956 58.980 58.000 0.040 0.000 1.275 1446 F CB -1.178 37.864 39.000 0.070 0.000 1.008 1446 F HN -0.102 nan 8.300 nan 0.000 0.480 1447 V N 1.339 121.258 119.914 0.009 0.000 2.231 1447 V HA -0.324 3.795 4.120 -0.002 0.000 0.248 1447 V C 2.624 178.675 176.094 -0.071 0.000 1.054 1447 V CA 2.647 64.916 62.300 -0.051 0.000 1.015 1447 V CB -0.913 30.918 31.823 0.014 0.000 0.638 1447 V HN 0.774 nan 8.190 nan 0.000 0.444 1448 K N 0.929 121.307 120.400 -0.037 0.000 2.486 1448 K HA -0.042 4.277 4.320 -0.002 0.000 0.194 1448 K C 1.927 178.502 176.600 -0.042 0.000 1.033 1448 K CA 1.316 57.572 56.287 -0.052 0.000 1.004 1448 K CB -0.305 32.171 32.500 -0.040 0.000 0.798 1448 K HN 0.573 nan 8.250 nan 0.000 0.495 1449 S N 1.713 117.397 115.700 -0.026 0.000 2.461 1449 S HA -0.084 4.385 4.470 -0.002 0.000 0.228 1449 S C 0.710 175.313 174.600 0.006 0.000 1.005 1449 S CA 0.506 58.702 58.200 -0.007 0.000 0.942 1449 S CB -0.429 62.776 63.200 0.007 0.000 0.776 1449 S HN 0.606 nan 8.310 nan 0.000 0.514 1450 N N -0.361 118.333 118.700 -0.009 0.000 2.571 1450 N HA 0.300 5.039 4.740 -0.002 0.000 0.298 1450 N C 0.351 175.888 175.510 0.045 0.000 1.671 1450 N CA -0.098 52.982 53.050 0.051 0.000 0.900 1450 N CB -0.677 37.899 38.487 0.148 0.000 1.365 1450 N HN 0.256 nan 8.380 nan 0.000 0.493 1451 F N -0.524 119.423 119.950 -0.005 0.000 2.335 1451 F HA 0.172 4.698 4.527 -0.002 0.000 0.296 1451 F C 1.779 177.615 175.800 0.060 0.000 1.091 1451 F CA 0.759 58.761 58.000 0.004 0.000 1.399 1451 F CB -0.403 38.481 39.000 -0.194 0.000 1.067 1451 F HN 0.173 nan 8.300 nan 0.000 0.520 1452 D N -0.375 120.042 120.400 0.029 0.000 2.234 1452 D HA 0.176 4.814 4.640 -0.002 0.000 0.205 1452 D C 2.352 178.686 176.300 0.056 0.000 0.962 1452 D CA 1.285 55.314 54.000 0.049 0.000 0.855 1452 D CB -0.188 40.628 40.800 0.027 0.000 0.951 1452 D HN 0.343 nan 8.370 nan 0.000 0.500 1453 A N 0.375 123.235 122.820 0.067 0.000 1.968 1453 A HA 0.094 4.413 4.320 -0.002 0.000 0.217 1453 A C 2.168 179.765 177.584 0.021 0.000 1.169 1453 A CA 1.610 53.681 52.037 0.057 0.000 0.638 1453 A CB -0.455 18.610 19.000 0.108 0.000 0.812 1453 A HN 0.219 nan 8.150 nan 0.000 0.446 1454 A N -0.421 122.446 122.820 0.078 0.000 2.016 1454 A HA 0.017 4.336 4.320 -0.002 0.000 0.217 1454 A C 2.158 179.433 177.584 -0.516 0.000 1.162 1454 A CA 1.028 52.996 52.037 -0.114 0.000 0.662 1454 A CB -0.297 18.799 19.000 0.161 0.000 0.812 1454 A HN 0.511 nan 8.150 nan 0.000 0.450 1455 R N -0.617 119.826 120.500 -0.094 0.000 2.075 1455 R HA -0.018 4.321 4.340 -0.002 0.000 0.232 1455 R C 2.387 178.701 176.300 0.023 0.000 1.126 1455 R CA 1.299 57.437 56.100 0.063 0.000 0.963 1455 R CB -0.244 30.173 30.300 0.196 0.000 0.858 1455 R HN 0.445 nan 8.270 nan 0.000 0.435 1456 R N -0.104 120.400 120.500 0.006 0.000 2.094 1456 R HA -0.206 4.132 4.340 -0.002 0.000 0.239 1456 R C 2.130 178.440 176.300 0.016 0.000 1.137 1456 R CA 2.170 58.280 56.100 0.016 0.000 0.943 1456 R CB -0.475 29.831 30.300 0.010 0.000 0.850 1456 R HN 0.220 nan 8.270 nan 0.000 0.433 1457 F N 0.361 120.188 119.950 -0.205 0.000 2.186 1457 F HA -0.169 4.357 4.527 -0.001 0.000 0.299 1457 F C 1.607 177.337 175.800 -0.116 0.000 1.090 1457 F CA 1.178 59.050 58.000 -0.214 0.000 1.307 1457 F CB -0.159 38.661 39.000 -0.301 0.000 1.019 1457 F HN -0.104 nan 8.300 nan 0.000 0.489 1458 F N 0.111 119.972 119.950 -0.149 0.000 2.171 1458 F HA -0.113 4.412 4.527 -0.002 0.000 0.300 1458 F C 2.141 177.779 175.800 -0.270 0.000 1.090 1458 F CA 0.802 58.631 58.000 -0.286 0.000 1.293 1458 F CB -1.395 37.599 39.000 -0.011 0.000 1.013 1458 F HN 0.085 nan 8.300 nan 0.000 0.486 1459 L N -0.072 121.156 121.223 0.009 0.000 2.179 1459 L HA -0.099 4.240 4.340 -0.002 0.000 0.208 1459 L C 1.836 178.619 176.870 -0.144 0.000 1.096 1459 L CA 1.522 56.324 54.840 -0.062 0.000 0.779 1459 L CB -0.827 41.239 42.059 0.012 0.000 0.922 1459 L HN -0.096 nan 8.230 nan 0.000 0.443 1460 D N -0.407 119.909 120.400 -0.140 0.000 2.117 1460 D HA -0.122 4.517 4.640 -0.002 0.000 0.198 1460 D C 1.969 178.142 176.300 -0.212 0.000 0.982 1460 D CA 1.795 55.710 54.000 -0.141 0.000 0.828 1460 D CB -0.117 40.626 40.800 -0.096 0.000 0.967 1460 D HN 0.537 nan 8.370 nan 0.000 0.464 1461 I N -2.634 117.705 120.570 -0.385 0.000 3.646 1461 I HA 0.286 4.455 4.170 -0.002 0.000 0.301 1461 I C 1.165 177.121 176.117 -0.267 0.000 1.276 1461 I CA 0.248 61.260 61.300 -0.481 0.000 1.254 1461 I CB 0.148 37.455 38.000 -1.155 0.000 1.020 1461 I HN -0.157 nan 8.210 nan 0.000 0.473 1462 A N -0.399 122.280 122.820 -0.235 0.000 2.571 1462 A HA 0.613 4.931 4.320 -0.002 0.000 0.274 1462 A C 0.542 178.028 177.584 -0.164 0.000 1.196 1462 A CA -0.219 51.686 52.037 -0.219 0.000 0.957 1462 A CB 0.200 18.955 19.000 -0.409 0.000 1.150 1462 A HN 0.368 nan 8.150 nan 0.000 0.539 1486 L N 0.729 121.996 121.223 0.072 0.000 0.000 1486 L HA 1.176 5.515 4.340 -0.002 0.000 0.000 1486 L C 0.473 177.415 176.870 0.120 0.000 0.000 1486 L CA -0.012 54.874 54.840 0.077 0.000 0.000 1486 L CB 0.136 42.333 42.059 0.230 0.000 0.000 1486 L HN 1.776 nan 8.230 nan 0.000 0.000 1487 H N -1.201 nan 119.070 nan 0.000 0.000 1487 H HA 0.388 4.943 4.556 -0.002 0.000 0.000 1487 H C 0.738 176.129 175.328 0.104 0.000 0.000 1487 H CA -0.030 56.056 56.048 0.063 0.000 0.000 1487 H CB 0.433 30.223 29.762 0.045 0.000 0.000 1487 H HN 0.401 nan 8.280 nan 0.000 0.000 1488 R N -0.206 120.179 120.500 -0.193 0.000 2.120 1488 R HA -0.021 4.318 4.340 -0.002 0.000 0.234 1488 R C 2.035 178.351 176.300 0.028 0.000 1.123 1488 R CA 1.461 57.485 56.100 -0.127 0.000 0.975 1488 R CB 0.031 30.276 30.300 -0.093 0.000 0.866 1488 R HN 0.408 nan 8.270 nan 0.000 0.446 1489 L N 0.336 121.589 121.223 0.051 0.000 1.988 1489 L HA -0.191 4.147 4.340 -0.002 0.000 0.207 1489 L C 2.298 179.228 176.870 0.101 0.000 1.071 1489 L CA 1.373 56.257 54.840 0.074 0.000 0.744 1489 L CB -0.501 41.602 42.059 0.073 0.000 0.893 1489 L HN 0.097 nan 8.230 nan 0.000 0.433 1490 L N -1.290 120.018 121.223 0.142 0.000 1.989 1490 L HA -0.302 4.037 4.340 -0.002 0.000 0.211 1490 L C 2.473 179.453 176.870 0.183 0.000 1.071 1490 L CA 1.792 56.732 54.840 0.167 0.000 0.749 1490 L CB -0.788 41.399 42.059 0.213 0.000 0.890 1490 L HN 0.484 nan 8.230 nan 0.000 0.431 1491 W N 0.990 122.329 121.300 0.065 0.000 2.342 1491 W HA -0.213 4.445 4.660 -0.003 0.000 0.297 1491 W C 1.918 178.453 176.519 0.027 0.000 1.213 1491 W CA 1.488 58.865 57.345 0.052 0.000 1.251 1491 W CB -0.199 29.270 29.460 0.016 0.000 1.136 1491 W HN 0.273 nan 8.180 nan 0.000 0.526 1492 N N 0.457 119.200 118.700 0.072 0.000 2.467 1492 N HA -0.078 4.661 4.740 -0.002 0.000 0.184 1492 N C 0.202 175.681 175.510 -0.050 0.000 1.106 1492 N CA 0.786 53.829 53.050 -0.013 0.000 0.892 1492 N CB -0.247 38.276 38.487 0.061 0.000 0.969 1492 N HN 0.223 nan 8.380 nan 0.000 0.454 1493 N N 0.175 118.854 118.700 -0.035 0.000 2.305 1493 N HA 0.015 4.753 4.740 -0.002 0.000 0.248 1493 N C 0.998 176.501 175.510 -0.011 0.000 1.290 1493 N CA 0.067 53.107 53.050 -0.018 0.000 0.873 1493 N CB 0.693 39.190 38.487 0.016 0.000 1.261 1493 N HN 0.432 nan 8.380 nan 0.000 0.504 1494 Q N 0.185 119.955 119.800 -0.051 0.000 2.230 1494 Q HA 0.043 4.382 4.340 -0.002 0.000 0.202 1494 Q C 0.771 176.812 176.000 0.068 0.000 0.963 1494 Q CA 1.248 57.060 55.803 0.016 0.000 0.866 1494 Q CB -0.076 28.622 28.738 -0.066 0.000 0.931 1494 Q HN 0.241 nan 8.270 nan 0.000 0.452 1495 E N 0.697 120.895 120.200 -0.005 0.000 2.442 1495 E HA -0.027 4.322 4.350 -0.002 0.000 0.195 1495 E C 1.296 177.883 176.600 -0.021 0.000 1.030 1495 E CA 0.421 56.822 56.400 0.002 0.000 0.869 1495 E CB 0.358 30.043 29.700 -0.025 0.000 0.857 1495 E HN 0.384 nan 8.360 nan 0.000 0.505 1496 K N 0.820 121.215 120.400 -0.007 0.000 2.335 1496 K HA 0.081 4.400 4.320 -0.002 0.000 0.195 1496 K C 1.844 178.463 176.600 0.032 0.000 1.058 1496 K CA 0.359 56.649 56.287 0.006 0.000 0.988 1496 K CB -0.024 32.481 32.500 0.008 0.000 0.880 1496 K HN 0.215 nan 8.250 nan 0.000 0.513 1497 I N -1.564 119.025 120.570 0.031 0.000 3.752 1497 I HA 0.339 4.508 4.170 -0.002 0.000 0.313 1497 I C 0.743 176.892 176.117 0.054 0.000 1.304 1497 I CA 0.075 61.404 61.300 0.048 0.000 1.171 1497 I CB -0.115 37.910 38.000 0.041 0.000 1.038 1497 I HN 0.034 nan 8.210 nan 0.000 0.427 1498 G N 0.827 109.563 108.800 -0.106 0.000 2.597 1498 G HA2 -0.038 3.921 3.960 -0.002 0.000 0.196 1498 G HA3 -0.038 3.921 3.960 -0.002 0.000 0.196 1498 G C 1.254 175.845 174.900 -0.515 0.000 1.176 1498 G CA 0.115 44.839 45.100 -0.626 0.000 0.747 1498 G HN 0.344 nan 8.290 nan 0.000 0.821 1499 Q N -0.287 119.369 119.800 -0.239 0.000 2.230 1499 Q HA -0.004 4.335 4.340 -0.002 0.000 0.202 1499 Q C 1.872 177.814 176.000 -0.095 0.000 0.963 1499 Q CA 1.114 56.824 55.803 -0.155 0.000 0.866 1499 Q CB -0.341 28.350 28.738 -0.079 0.000 0.931 1499 Q HN 0.559 nan 8.270 nan 0.000 0.452 1500 Y N -0.462 119.756 120.300 -0.136 0.000 2.133 1500 Y HA -0.170 4.378 4.550 -0.003 0.000 0.287 1500 Y C 1.322 177.166 175.900 -0.093 0.000 1.134 1500 Y CA 1.139 59.189 58.100 -0.084 0.000 1.133 1500 Y CB -0.209 38.222 38.460 -0.048 0.000 0.987 1500 Y HN 0.159 nan 8.280 nan 0.000 0.502 1501 L N 0.238 121.483 121.223 0.037 0.000 2.549 1501 L HA -0.126 4.213 4.340 -0.002 0.000 0.230 1501 L C 1.906 178.691 176.870 -0.141 0.000 1.162 1501 L CA 1.346 56.175 54.840 -0.019 0.000 0.834 1501 L CB -1.230 40.844 42.059 0.024 0.000 0.947 1501 L HN 0.176 nan 8.230 nan 0.000 0.452 1502 S N -0.729 114.853 115.700 -0.197 0.000 2.803 1502 S HA 0.410 4.878 4.470 -0.002 0.000 0.228 1502 S C 0.915 175.420 174.600 -0.159 0.000 0.953 1502 S CA 0.574 58.679 58.200 -0.158 0.000 0.983 1502 S CB -0.378 62.731 63.200 -0.153 0.000 0.784 1502 S HN 0.610 nan 8.310 nan 0.000 0.498 1514 P HA -0.017 nan 4.420 nan 0.000 0.217 1514 P C 1.226 178.626 177.300 0.166 0.000 1.150 1514 P CA 0.578 63.750 63.100 0.119 0.000 0.832 1514 P CB 0.003 31.779 31.700 0.127 0.000 0.787 1515 F N 1.035 121.014 119.950 0.049 0.000 2.128 1515 F HA -0.112 4.414 4.527 -0.003 0.000 0.295 1515 F C 1.704 177.530 175.800 0.044 0.000 1.100 1515 F CA 1.461 59.491 58.000 0.050 0.000 1.260 1515 F CB -0.870 38.160 39.000 0.048 0.000 1.009 1515 F HN -0.216 nan 8.300 nan 0.000 0.476 1516 D N 0.802 121.139 120.400 -0.105 0.000 2.133 1516 D HA -0.225 4.414 4.640 -0.002 0.000 0.192 1516 D C 2.143 178.341 176.300 -0.170 0.000 1.001 1516 D CA 1.771 55.656 54.000 -0.192 0.000 0.844 1516 D CB -0.318 40.460 40.800 -0.036 0.000 0.944 1516 D HN 0.356 nan 8.370 nan 0.000 0.447 1517 K N -0.032 120.323 120.400 -0.074 0.000 2.063 1517 K HA -0.106 4.212 4.320 -0.002 0.000 0.208 1517 K C 2.199 178.763 176.600 -0.060 0.000 1.048 1517 K CA 0.812 57.073 56.287 -0.044 0.000 0.928 1517 K CB -0.118 32.382 32.500 -0.000 0.000 0.713 1517 K HN 0.130 nan 8.250 nan 0.000 0.442 1518 M N 0.406 119.959 119.600 -0.078 0.000 2.117 1518 M HA -0.119 4.359 4.480 -0.002 0.000 0.262 1518 M C 2.175 178.391 176.300 -0.140 0.000 1.065 1518 M CA 1.668 56.935 55.300 -0.055 0.000 1.114 1518 M CB -0.262 32.363 32.600 0.042 0.000 1.361 1518 M HN 0.232 nan 8.290 nan 0.000 0.408 1519 A N -0.451 122.132 122.820 -0.393 0.000 2.016 1519 A HA -0.094 4.224 4.320 -0.002 0.000 0.217 1519 A C 2.026 179.517 177.584 -0.155 0.000 1.162 1519 A CA 1.819 53.618 52.037 -0.398 0.000 0.662 1519 A CB -0.896 17.611 19.000 -0.822 0.000 0.812 1519 A HN 0.655 nan 8.150 nan 0.000 0.450 1520 T N -2.098 112.384 114.554 -0.120 0.000 2.894 1520 T HA -0.050 4.298 4.350 -0.002 0.000 0.258 1520 T C 1.787 176.516 174.700 0.048 0.000 1.043 1520 T CA 1.179 63.261 62.100 -0.029 0.000 1.141 1520 T CB -0.482 68.361 68.868 -0.041 0.000 0.873 1520 T HN 0.172 nan 8.240 nan 0.000 0.449 1521 L N 1.116 122.365 121.223 0.044 0.000 2.042 1521 L HA 0.151 4.489 4.340 -0.002 0.000 0.210 1521 L C 2.318 179.263 176.870 0.126 0.000 1.076 1521 L CA 1.533 56.434 54.840 0.101 0.000 0.749 1521 L CB -0.946 41.147 42.059 0.057 0.000 0.893 1521 L HN 0.305 nan 8.230 nan 0.000 0.432 1522 L N -0.821 120.481 121.223 0.132 0.000 2.109 1522 L HA -0.108 4.231 4.340 -0.002 0.000 0.207 1522 L C 2.593 179.646 176.870 0.305 0.000 1.086 1522 L CA 0.963 55.953 54.840 0.250 0.000 0.760 1522 L CB -0.814 41.444 42.059 0.332 0.000 0.910 1522 L HN 0.371 nan 8.230 nan 0.000 0.437 1523 A N -0.801 122.155 122.820 0.226 0.000 2.076 1523 A HA -0.275 4.044 4.320 -0.002 0.000 0.220 1523 A C 1.971 179.680 177.584 0.208 0.000 1.160 1523 A CA 1.272 53.438 52.037 0.216 0.000 0.653 1523 A CB -0.698 18.380 19.000 0.129 0.000 0.801 1523 A HN 0.512 nan 8.150 nan 0.000 0.455 1524 Y N -0.308 120.018 120.300 0.042 0.000 2.462 1524 Y HA 0.560 5.108 4.550 -0.002 0.000 0.293 1524 Y C -0.011 175.865 175.900 -0.041 0.000 1.195 1524 Y CA -1.016 57.082 58.100 -0.004 0.000 1.276 1524 Y CB -0.386 38.063 38.460 -0.019 0.000 1.082 1524 Y HN 0.181 nan 8.280 nan 0.000 0.514 1525 L N -1.526 119.582 121.223 -0.192 0.000 2.801 1525 L HA 0.769 5.108 4.340 -0.002 0.000 0.264 1525 L C -0.570 176.029 176.870 -0.452 0.000 1.086 1525 L CA -0.884 53.746 54.840 -0.350 0.000 0.920 1525 L CB 2.051 43.869 42.059 -0.401 0.000 1.529 1525 L HN -0.062 nan 8.230 nan 0.000 0.399 1526 G N 1.254 109.736 108.800 -0.530 0.000 1.788 1526 G HA2 0.415 4.373 3.960 -0.002 0.000 0.267 1526 G HA3 0.415 4.373 3.960 -0.002 0.000 0.267 1526 G C -3.252 171.308 174.900 -0.566 0.000 1.786 1526 G CA -0.485 44.011 45.100 -1.007 0.000 0.915 1526 G HN 0.239 nan 8.290 nan 0.000 0.625 1527 P HA 0.414 nan 4.420 nan 0.000 0.284 1527 P C -1.684 175.478 177.300 -0.229 0.000 1.253 1527 P CA -1.094 61.849 63.100 -0.261 0.000 0.800 1527 P CB 1.822 33.291 31.700 -0.385 0.000 0.961 1528 P HA -0.088 nan 4.420 nan 0.000 0.202 1528 P C 0.311 177.564 177.300 -0.078 0.000 1.171 1528 P CA 1.549 64.590 63.100 -0.097 0.000 0.925 1528 P CB -0.486 31.173 31.700 -0.068 0.000 0.760 1529 E N 0.000 120.163 120.200 -0.062 0.000 2.725 1529 E HA 0.000 4.349 4.350 -0.002 0.000 0.291 1529 E CA 0.000 56.372 56.400 -0.046 0.000 0.976 1529 E CB 0.000 nan 29.700 nan 0.000 0.812 1529 E HN 0.000 nan 8.360 nan 0.000 0.440