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 1fby_1_B DATA FIRST_RESID 1229 DATA SEQUENCE DMPVERILEA ELAVEPXXXX XXXXXXXXXX XXXXDPVTNI CQAADKQLFT DATA SEQUENCE LVEWAKRIPH FSELPLDDQV ILLRAGWNEL LIASFSHRSI AVKDGILLAT DATA SEQUENCE GLHVHRNSAH SAGVGAIFDR VLTELVSKMR DMQMDKTELG CLRAIVLFNP DATA SEQUENCE DSKGLSNPAE VEALREKVYA SLEAYCKHKY PEQPGRFAKL LLRLPALRSI DATA SEQUENCE GLKCLEHLFF FKLIGDTPID TFLMEMLEAP 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 1229 D HA 0.000 nan 4.640 nan 0.000 0.175 1229 D C 0.000 176.323 176.300 0.038 0.000 2.045 1229 D CA 0.000 54.015 54.000 0.025 0.000 0.868 1229 D CB 0.000 40.808 40.800 0.013 0.000 0.688 1230 M N 1.128 120.752 119.600 0.041 0.000 4.626 1230 M HA 0.134 4.614 4.480 0.001 0.000 0.540 1230 M C -2.626 173.698 176.300 0.041 0.000 2.051 1230 M CA -0.601 54.729 55.300 0.050 0.000 0.497 1230 M CB 1.455 34.083 32.600 0.047 0.000 2.762 1230 M HN -0.247 nan 8.290 nan 0.000 0.595 1231 P HA 0.080 nan 4.420 nan 0.000 0.253 1231 P C 1.140 178.448 177.300 0.013 0.000 1.260 1231 P CA 0.187 63.303 63.100 0.027 0.000 0.800 1231 P CB 0.343 32.070 31.700 0.045 0.000 1.162 1232 V N 2.671 122.595 119.914 0.017 0.000 2.280 1232 V HA -0.300 3.821 4.120 0.001 0.000 0.258 1232 V C 2.752 178.828 176.094 -0.029 0.000 1.081 1232 V CA 2.634 64.924 62.300 -0.016 0.000 1.070 1232 V CB -1.095 30.726 31.823 -0.003 0.000 0.666 1232 V HN 0.339 nan 8.190 nan 0.000 0.450 1233 E N 0.189 120.387 120.200 -0.002 0.000 2.347 1233 E HA -0.186 4.164 4.350 0.001 0.000 0.196 1233 E C 2.126 178.718 176.600 -0.013 0.000 1.008 1233 E CA 0.786 57.186 56.400 -0.000 0.000 0.852 1233 E CB -0.428 29.282 29.700 0.018 0.000 0.783 1233 E HN 0.591 nan 8.360 nan 0.000 0.505 1234 R N 0.500 120.986 120.500 -0.022 0.000 2.090 1234 R HA 0.096 4.436 4.340 0.001 0.000 0.228 1234 R C 2.550 178.817 176.300 -0.056 0.000 1.110 1234 R CA 0.920 56.996 56.100 -0.041 0.000 0.973 1234 R CB -0.259 30.012 30.300 -0.049 0.000 0.869 1234 R HN 0.246 nan 8.270 nan 0.000 0.440 1235 I N 0.989 121.532 120.570 -0.045 0.000 2.252 1235 I HA -0.258 3.912 4.170 0.001 0.000 0.245 1235 I C 2.549 178.662 176.117 -0.008 0.000 1.102 1235 I CA 0.903 62.179 61.300 -0.041 0.000 1.385 1235 I CB -0.238 37.750 38.000 -0.020 0.000 1.064 1235 I HN 0.194 nan 8.210 nan 0.000 0.414 1236 L N 0.708 121.918 121.223 -0.021 0.000 2.056 1236 L HA -0.193 4.148 4.340 0.001 0.000 0.207 1236 L C 2.592 179.472 176.870 0.016 0.000 1.078 1236 L CA 1.817 56.653 54.840 -0.007 0.000 0.749 1236 L CB -0.547 41.502 42.059 -0.017 0.000 0.901 1236 L HN 0.275 nan 8.230 nan 0.000 0.433 1237 E N 0.372 120.572 120.200 0.001 0.000 2.085 1237 E HA -0.230 4.121 4.350 0.001 0.000 0.194 1237 E C 2.148 178.753 176.600 0.008 0.000 0.994 1237 E CA 1.440 57.841 56.400 0.002 0.000 0.801 1237 E CB -0.198 29.491 29.700 -0.017 0.000 0.743 1237 E HN 0.606 nan 8.360 nan 0.000 0.453 1238 A N 1.053 123.860 122.820 -0.021 0.000 1.883 1238 A HA -0.251 4.069 4.320 0.001 0.000 0.217 1238 A C 2.170 179.862 177.584 0.181 0.000 1.186 1238 A CA 2.047 54.058 52.037 -0.043 0.000 0.624 1238 A CB -0.558 18.266 19.000 -0.293 0.000 0.822 1238 A HN 0.212 nan 8.150 nan 0.000 0.444 1239 E N -0.074 120.266 120.200 0.234 0.000 2.077 1239 E HA -0.123 4.228 4.350 0.001 0.000 0.193 1239 E C 1.839 178.509 176.600 0.116 0.000 0.989 1239 E CA 1.231 57.763 56.400 0.219 0.000 0.800 1239 E CB -0.313 29.454 29.700 0.112 0.000 0.746 1239 E HN 0.619 nan 8.360 nan 0.000 0.452 1240 L N -0.465 120.806 121.223 0.080 0.000 2.156 1240 L HA -0.042 4.299 4.340 0.001 0.000 0.208 1240 L C 2.402 179.310 176.870 0.064 0.000 1.095 1240 L CA 0.819 55.694 54.840 0.059 0.000 0.770 1240 L CB -0.424 41.661 42.059 0.045 0.000 0.914 1240 L HN 0.187 nan 8.230 nan 0.000 0.439 1241 A N -0.466 122.396 122.820 0.071 0.000 1.898 1241 A HA -0.012 4.309 4.320 0.001 0.000 0.216 1241 A C 1.191 178.824 177.584 0.081 0.000 1.181 1241 A CA 0.731 52.806 52.037 0.063 0.000 0.620 1241 A CB -0.353 18.676 19.000 0.047 0.000 0.819 1241 A HN 0.119 nan 8.150 nan 0.000 0.442 1242 V N 1.377 121.361 119.914 0.116 0.000 2.383 1242 V HA 0.530 4.651 4.120 0.001 0.000 0.275 1242 V C -0.298 175.844 176.094 0.080 0.000 1.036 1242 V CA 0.368 62.737 62.300 0.115 0.000 0.889 1242 V CB 0.094 32.024 31.823 0.178 0.000 0.985 1242 V HN 0.864 nan 8.190 nan 0.000 0.459 1243 E N 5.168 125.409 120.200 0.069 0.000 5.998 1243 E HA 0.049 4.399 4.350 0.001 0.000 0.551 1243 E C -2.992 173.644 176.600 0.060 0.000 1.294 1243 E CA -1.065 55.369 56.400 0.057 0.000 3.033 1243 E CB -0.713 29.015 29.700 0.046 0.000 0.789 1243 E HN 0.478 nan 8.360 nan 0.000 0.263 1264 P HA -0.162 nan 4.420 nan 0.000 0.215 1264 P C 1.467 178.717 177.300 -0.083 0.000 1.157 1264 P CA 0.818 63.869 63.100 -0.081 0.000 0.874 1264 P CB 0.305 31.944 31.700 -0.101 0.000 0.790 1265 V N -0.779 119.068 119.914 -0.112 0.000 2.295 1265 V HA -0.243 3.877 4.120 0.001 0.000 0.246 1265 V C 2.340 178.365 176.094 -0.116 0.000 1.049 1265 V CA 2.544 64.762 62.300 -0.137 0.000 1.024 1265 V CB -1.831 29.794 31.823 -0.329 0.000 0.648 1265 V HN 0.178 nan 8.190 nan 0.000 0.447 1266 T N 0.429 114.908 114.554 -0.126 0.000 2.737 1266 T HA -0.201 4.149 4.350 0.001 0.000 0.269 1266 T C 1.837 176.502 174.700 -0.058 0.000 1.040 1266 T CA 1.752 63.798 62.100 -0.090 0.000 1.142 1266 T CB -0.379 68.437 68.868 -0.085 0.000 0.861 1266 T HN 0.447 nan 8.240 nan 0.000 0.456 1267 N N 0.763 119.428 118.700 -0.058 0.000 2.216 1267 N HA 0.085 4.826 4.740 0.001 0.000 0.183 1267 N C 1.930 177.411 175.510 -0.048 0.000 1.017 1267 N CA 0.805 53.828 53.050 -0.046 0.000 0.861 1267 N CB -0.242 38.218 38.487 -0.045 0.000 0.986 1267 N HN 0.387 nan 8.380 nan 0.000 0.428 1268 I N 0.632 121.167 120.570 -0.059 0.000 2.226 1268 I HA -0.262 3.908 4.170 0.001 0.000 0.245 1268 I C 2.159 178.263 176.117 -0.022 0.000 1.100 1268 I CA 0.772 62.026 61.300 -0.078 0.000 1.374 1268 I CB -0.186 37.767 38.000 -0.079 0.000 1.057 1268 I HN 0.131 nan 8.210 nan 0.000 0.413 1269 C N 0.166 119.473 119.300 0.012 0.000 2.440 1269 C HA -0.150 4.310 4.460 0.001 0.000 0.278 1269 C C 2.798 177.815 174.990 0.045 0.000 1.295 1269 C CA 0.750 59.802 59.018 0.058 0.000 1.738 1269 C CB -1.054 26.720 27.740 0.057 0.000 1.987 1269 C HN 0.517 nan 8.230 nan 0.000 0.492 1270 Q N 0.449 120.257 119.800 0.013 0.000 2.172 1270 Q HA -0.067 4.273 4.340 0.001 0.000 0.200 1270 Q C 2.472 178.490 176.000 0.030 0.000 0.964 1270 Q CA 1.504 57.316 55.803 0.015 0.000 0.855 1270 Q CB -0.247 28.488 28.738 -0.005 0.000 0.918 1270 Q HN 0.745 nan 8.270 nan 0.000 0.444 1271 A N 0.977 123.806 122.820 0.016 0.000 1.930 1271 A HA -0.073 4.247 4.320 0.001 0.000 0.217 1271 A C 2.257 179.879 177.584 0.063 0.000 1.175 1271 A CA 1.403 53.453 52.037 0.023 0.000 0.627 1271 A CB -0.618 18.368 19.000 -0.023 0.000 0.815 1271 A HN 0.382 nan 8.150 nan 0.000 0.443 1272 A N 0.033 122.902 122.820 0.081 0.000 1.877 1272 A HA -0.199 4.122 4.320 0.001 0.000 0.216 1272 A C 1.848 179.529 177.584 0.162 0.000 1.186 1272 A CA 2.087 54.217 52.037 0.155 0.000 0.620 1272 A CB -0.730 18.393 19.000 0.206 0.000 0.822 1272 A HN 0.438 nan 8.150 nan 0.000 0.443 1273 D N -0.601 119.879 120.400 0.134 0.000 2.106 1273 D HA -0.191 4.450 4.640 0.001 0.000 0.191 1273 D C 1.965 178.363 176.300 0.164 0.000 0.997 1273 D CA 1.724 55.815 54.000 0.151 0.000 0.834 1273 D CB -0.173 40.702 40.800 0.125 0.000 0.956 1273 D HN 0.551 nan 8.370 nan 0.000 0.448 1274 K N -0.091 120.385 120.400 0.128 0.000 2.044 1274 K HA -0.207 4.113 4.320 0.001 0.000 0.210 1274 K C 1.860 178.560 176.600 0.167 0.000 1.049 1274 K CA 1.352 57.717 56.287 0.129 0.000 0.927 1274 K CB 0.097 32.650 32.500 0.088 0.000 0.713 1274 K HN 0.072 nan 8.250 nan 0.000 0.443 1275 Q N 0.477 120.364 119.800 0.145 0.000 2.331 1275 Q HA -0.038 4.302 4.340 0.001 0.000 0.203 1275 Q C 2.075 178.160 176.000 0.141 0.000 0.944 1275 Q CA 0.457 56.341 55.803 0.134 0.000 0.892 1275 Q CB -0.041 28.762 28.738 0.107 0.000 0.983 1275 Q HN 0.430 nan 8.270 nan 0.000 0.482 1276 L N -0.039 121.282 121.223 0.164 0.000 2.046 1276 L HA -0.182 4.158 4.340 0.001 0.000 0.208 1276 L C 2.159 179.093 176.870 0.107 0.000 1.077 1276 L CA 1.397 56.316 54.840 0.132 0.000 0.747 1276 L CB -0.347 41.758 42.059 0.076 0.000 0.896 1276 L HN 0.129 nan 8.230 nan 0.000 0.432 1277 F N 1.239 121.197 119.950 0.014 0.000 2.102 1277 F HA -0.268 4.260 4.527 0.001 0.000 0.298 1277 F C 2.750 178.564 175.800 0.023 0.000 1.105 1277 F CA 2.156 60.151 58.000 -0.008 0.000 1.239 1277 F CB -0.564 38.433 39.000 -0.006 0.000 0.991 1277 F HN 0.241 nan 8.300 nan 0.000 0.474 1278 T N -1.316 113.283 114.554 0.075 0.000 3.025 1278 T HA -0.171 4.179 4.350 0.001 0.000 0.270 1278 T C 1.888 176.577 174.700 -0.018 0.000 1.126 1278 T CA 1.071 63.172 62.100 0.001 0.000 1.105 1278 T CB -0.753 68.178 68.868 0.104 0.000 0.884 1278 T HN 0.214 nan 8.240 nan 0.000 0.522 1279 L N 1.065 122.282 121.223 -0.011 0.000 2.191 1279 L HA 0.061 4.401 4.340 0.001 0.000 0.212 1279 L C 2.668 179.555 176.870 0.029 0.000 1.103 1279 L CA 0.861 55.742 54.840 0.068 0.000 0.769 1279 L CB -0.772 41.322 42.059 0.058 0.000 0.908 1279 L HN 0.220 nan 8.230 nan 0.000 0.438 1280 V N -0.652 119.177 119.914 -0.142 0.000 2.261 1280 V HA -0.300 3.821 4.120 0.001 0.000 0.246 1280 V C 2.480 178.491 176.094 -0.137 0.000 1.047 1280 V CA 1.941 64.135 62.300 -0.177 0.000 1.015 1280 V CB -0.592 31.011 31.823 -0.366 0.000 0.642 1280 V HN 0.558 nan 8.190 nan 0.000 0.446 1281 E N -1.087 119.023 120.200 -0.151 0.000 2.150 1281 E HA -0.275 4.075 4.350 0.001 0.000 0.193 1281 E C 2.037 178.605 176.600 -0.054 0.000 0.985 1281 E CA 1.497 57.847 56.400 -0.083 0.000 0.814 1281 E CB -0.212 29.460 29.700 -0.047 0.000 0.752 1281 E HN 0.697 nan 8.360 nan 0.000 0.466 1282 W N 1.233 122.442 121.300 -0.151 0.000 2.378 1282 W HA -0.096 4.564 4.660 0.000 0.000 0.313 1282 W C 2.239 178.623 176.519 -0.225 0.000 1.197 1282 W CA 2.412 59.663 57.345 -0.157 0.000 1.304 1282 W CB -0.654 28.715 29.460 -0.152 0.000 1.148 1282 W HN 0.123 nan 8.180 nan 0.000 0.494 1283 A N 0.562 123.070 122.820 -0.520 0.000 1.969 1283 A HA -0.160 4.161 4.320 0.001 0.000 0.218 1283 A C 1.961 179.111 177.584 -0.722 0.000 1.169 1283 A CA 1.601 52.977 52.037 -1.102 0.000 0.635 1283 A CB -0.657 17.608 19.000 -1.225 0.000 0.810 1283 A HN 0.205 nan 8.150 nan 0.000 0.445 1284 K N 0.017 120.240 120.400 -0.294 0.000 2.209 1284 K HA -0.057 4.264 4.320 0.001 0.000 0.204 1284 K C 1.422 177.942 176.600 -0.133 0.000 1.048 1284 K CA 0.932 57.183 56.287 -0.059 0.000 0.940 1284 K CB -0.222 32.260 32.500 -0.030 0.000 0.729 1284 K HN 0.510 nan 8.250 nan 0.000 0.451 1285 R N 0.607 120.946 120.500 -0.268 0.000 2.363 1285 R HA 0.162 4.502 4.340 0.001 0.000 0.236 1285 R C 0.004 176.122 176.300 -0.304 0.000 0.966 1285 R CA -0.011 55.946 56.100 -0.239 0.000 1.100 1285 R CB 0.262 30.432 30.300 -0.215 0.000 1.125 1285 R HN -0.034 nan 8.270 nan 0.000 0.514 1286 I N 2.295 122.646 120.570 -0.366 0.000 2.321 1286 I HA 0.262 4.433 4.170 0.001 0.000 0.291 1286 I C -2.222 173.859 176.117 -0.061 0.000 0.998 1286 I CA -3.521 57.590 61.300 -0.316 0.000 1.227 1286 I CB 1.009 38.658 38.000 -0.584 0.000 1.368 1286 I HN -0.318 nan 8.210 nan 0.000 0.466 1287 P HA -0.096 nan 4.420 nan 0.000 0.259 1287 P C 0.309 177.653 177.300 0.073 0.000 1.155 1287 P CA 0.978 64.024 63.100 -0.091 0.000 0.759 1287 P CB 0.015 31.695 31.700 -0.033 0.000 0.753 1288 H N -0.353 118.770 119.070 0.088 0.000 3.898 1288 H HA -0.242 4.314 4.556 0.001 0.000 0.171 1288 H C 1.095 176.523 175.328 0.166 0.000 0.920 1288 H CA 1.370 57.470 56.048 0.087 0.000 1.238 1288 H CB -1.964 27.814 29.762 0.026 0.000 0.997 1288 H HN 0.474 nan 8.280 nan 0.000 0.380 1289 F N 1.832 121.895 119.950 0.188 0.000 2.146 1289 F HA -0.067 4.461 4.527 0.001 0.000 0.298 1289 F C 2.335 178.173 175.800 0.062 0.000 1.096 1289 F CA 1.802 59.900 58.000 0.163 0.000 1.275 1289 F CB -0.018 38.977 39.000 -0.008 0.000 1.008 1289 F HN 0.022 nan 8.300 nan 0.000 0.480 1290 S N 0.140 115.889 115.700 0.081 0.000 2.447 1290 S HA -0.115 4.355 4.470 0.001 0.000 0.233 1290 S C 1.557 176.111 174.600 -0.076 0.000 1.006 1290 S CA 0.996 59.177 58.200 -0.031 0.000 0.957 1290 S CB -0.323 62.893 63.200 0.026 0.000 0.773 1290 S HN 0.468 nan 8.310 nan 0.000 0.507 1291 E N 0.841 121.020 120.200 -0.036 0.000 2.481 1291 E HA 0.109 4.460 4.350 0.001 0.000 0.195 1291 E C 0.209 176.775 176.600 -0.056 0.000 1.047 1291 E CA 0.100 56.486 56.400 -0.024 0.000 0.867 1291 E CB -0.156 29.566 29.700 0.037 0.000 0.858 1291 E HN 0.473 nan 8.360 nan 0.000 0.513 1292 L N 3.183 124.332 121.223 -0.123 0.000 2.395 1292 L HA 0.220 4.560 4.340 0.001 0.000 0.269 1292 L C -2.002 174.776 176.870 -0.153 0.000 1.133 1292 L CA -2.138 52.617 54.840 -0.141 0.000 0.812 1292 L CB 0.160 42.088 42.059 -0.218 0.000 1.125 1292 L HN -0.209 nan 8.230 nan 0.000 0.452 1293 P HA -0.115 nan 4.420 nan 0.000 0.266 1293 P C 0.613 177.851 177.300 -0.105 0.000 1.186 1293 P CA -0.074 62.977 63.100 -0.081 0.000 0.767 1293 P CB 0.748 32.418 31.700 -0.051 0.000 0.820 1294 L N 2.928 124.104 121.223 -0.079 0.000 2.013 1294 L HA -0.221 4.120 4.340 0.001 0.000 0.212 1294 L C 1.721 178.560 176.870 -0.053 0.000 1.073 1294 L CA 2.112 56.910 54.840 -0.071 0.000 0.753 1294 L CB -0.978 41.056 42.059 -0.041 0.000 0.890 1294 L HN 0.244 nan 8.230 nan 0.000 0.432 1295 D N -0.513 119.866 120.400 -0.034 0.000 2.178 1295 D HA -0.170 4.470 4.640 0.001 0.000 0.201 1295 D C 1.754 178.047 176.300 -0.010 0.000 0.980 1295 D CA 1.274 55.266 54.000 -0.014 0.000 0.842 1295 D CB -0.152 40.644 40.800 -0.006 0.000 0.948 1295 D HN 0.446 nan 8.370 nan 0.000 0.472 1296 D N 0.170 120.549 120.400 -0.035 0.000 2.162 1296 D HA -0.061 4.580 4.640 0.001 0.000 0.203 1296 D C 2.115 178.394 176.300 -0.034 0.000 0.967 1296 D CA 0.574 54.559 54.000 -0.024 0.000 0.840 1296 D CB -0.153 40.624 40.800 -0.039 0.000 0.972 1296 D HN 0.288 nan 8.370 nan 0.000 0.482 1297 Q N 0.132 119.844 119.800 -0.147 0.000 2.084 1297 Q HA -0.092 4.248 4.340 0.001 0.000 0.202 1297 Q C 2.276 178.358 176.000 0.136 0.000 0.978 1297 Q CA 0.931 56.626 55.803 -0.180 0.000 0.844 1297 Q CB 0.001 28.506 28.738 -0.389 0.000 0.898 1297 Q HN 0.150 nan 8.270 nan 0.000 0.426 1298 V N 0.918 120.873 119.914 0.069 0.000 2.358 1298 V HA -0.248 3.872 4.120 0.001 0.000 0.246 1298 V C 2.117 178.274 176.094 0.104 0.000 1.047 1298 V CA 1.517 63.870 62.300 0.088 0.000 1.035 1298 V CB -0.429 31.420 31.823 0.043 0.000 0.658 1298 V HN 0.344 nan 8.190 nan 0.000 0.452 1299 I N -0.425 120.197 120.570 0.087 0.000 2.226 1299 I HA -0.263 3.908 4.170 0.001 0.000 0.245 1299 I C 2.310 178.506 176.117 0.131 0.000 1.100 1299 I CA 1.566 62.923 61.300 0.095 0.000 1.374 1299 I CB -0.268 37.776 38.000 0.073 0.000 1.057 1299 I HN 0.261 nan 8.210 nan 0.000 0.413 1300 L N -0.062 121.258 121.223 0.163 0.000 2.046 1300 L HA -0.229 4.112 4.340 0.001 0.000 0.208 1300 L C 2.487 179.468 176.870 0.184 0.000 1.077 1300 L CA 1.375 56.330 54.840 0.191 0.000 0.747 1300 L CB -0.525 41.703 42.059 0.281 0.000 0.896 1300 L HN 0.292 nan 8.230 nan 0.000 0.432 1301 L N -0.777 120.571 121.223 0.208 0.000 2.156 1301 L HA -0.134 4.206 4.340 0.001 0.000 0.208 1301 L C 2.778 179.795 176.870 0.245 0.000 1.095 1301 L CA 0.954 55.911 54.840 0.194 0.000 0.770 1301 L CB -0.342 41.818 42.059 0.168 0.000 0.914 1301 L HN 0.177 nan 8.230 nan 0.000 0.439 1302 R N -0.298 120.325 120.500 0.204 0.000 2.115 1302 R HA -0.101 4.239 4.340 0.001 0.000 0.230 1302 R C 2.369 178.883 176.300 0.357 0.000 1.111 1302 R CA 1.164 57.412 56.100 0.247 0.000 0.976 1302 R CB -0.306 30.081 30.300 0.145 0.000 0.870 1302 R HN 0.340 nan 8.270 nan 0.000 0.445 1303 A N 0.107 123.063 122.820 0.228 0.000 1.872 1303 A HA -0.010 4.311 4.320 0.001 0.000 0.214 1303 A C 2.032 179.672 177.584 0.094 0.000 1.187 1303 A CA 1.572 53.702 52.037 0.156 0.000 0.614 1303 A CB -0.429 18.637 19.000 0.110 0.000 0.826 1303 A HN 0.429 nan 8.150 nan 0.000 0.442 1304 G N -1.293 107.562 108.800 0.090 0.000 3.277 1304 G HA2 0.127 4.087 3.960 0.001 0.000 0.243 1304 G HA3 0.127 4.087 3.960 0.001 0.000 0.243 1304 G C 1.157 176.019 174.900 -0.065 0.000 1.107 1304 G CA 0.439 45.524 45.100 -0.025 0.000 0.771 1304 G HN 0.729 nan 8.290 nan 0.000 0.544 1305 W N 2.951 124.245 121.300 -0.011 0.000 2.304 1305 W HA -0.276 4.384 4.660 0.000 0.000 0.315 1305 W C 1.566 178.069 176.519 -0.026 0.000 1.233 1305 W CA 1.356 58.688 57.345 -0.021 0.000 1.261 1305 W CB -1.044 28.423 29.460 0.013 0.000 1.150 1305 W HN 0.313 nan 8.180 nan 0.000 0.494 1306 N N 1.503 119.386 118.700 -1.361 0.000 2.106 1306 N HA -0.248 4.493 4.740 0.001 0.000 0.188 1306 N C 1.467 176.668 175.510 -0.516 0.000 1.029 1306 N CA 2.088 54.403 53.050 -1.225 0.000 0.848 1306 N CB -1.243 36.321 38.487 -1.539 0.000 1.007 1306 N HN 0.419 nan 8.380 nan 0.000 0.423 1307 E N 0.012 119.963 120.200 -0.416 0.000 2.110 1307 E HA -0.070 4.280 4.350 0.001 0.000 0.193 1307 E C 1.813 178.257 176.600 -0.260 0.000 0.988 1307 E CA 0.521 56.752 56.400 -0.281 0.000 0.804 1307 E CB -0.026 29.543 29.700 -0.218 0.000 0.745 1307 E HN 0.133 nan 8.360 nan 0.000 0.458 1308 L N 0.474 121.548 121.223 -0.247 0.000 2.046 1308 L HA -0.165 4.176 4.340 0.001 0.000 0.208 1308 L C 2.121 178.824 176.870 -0.279 0.000 1.077 1308 L CA 1.557 56.222 54.840 -0.291 0.000 0.747 1308 L CB -0.624 41.266 42.059 -0.281 0.000 0.896 1308 L HN 0.197 nan 8.230 nan 0.000 0.432 1309 L N -1.550 119.580 121.223 -0.154 0.000 2.109 1309 L HA -0.186 4.155 4.340 0.001 0.000 0.207 1309 L C 2.429 179.255 176.870 -0.073 0.000 1.086 1309 L CA 1.028 55.844 54.840 -0.039 0.000 0.760 1309 L CB -0.397 41.743 42.059 0.136 0.000 0.910 1309 L HN 0.207 nan 8.230 nan 0.000 0.437 1310 I N 0.157 120.609 120.570 -0.198 0.000 2.226 1310 I HA -0.265 3.906 4.170 0.001 0.000 0.245 1310 I C 2.855 178.549 176.117 -0.703 0.000 1.100 1310 I CA 1.100 62.078 61.300 -0.537 0.000 1.374 1310 I CB -0.459 37.329 38.000 -0.352 0.000 1.057 1310 I HN 0.185 nan 8.210 nan 0.000 0.413 1311 A N 0.101 122.668 122.820 -0.421 0.000 1.883 1311 A HA -0.226 4.094 4.320 0.001 0.000 0.217 1311 A C 2.505 179.898 177.584 -0.319 0.000 1.186 1311 A CA 2.346 54.174 52.037 -0.348 0.000 0.624 1311 A CB -0.824 18.006 19.000 -0.282 0.000 0.822 1311 A HN 0.365 nan 8.150 nan 0.000 0.444 1312 S N -0.541 114.984 115.700 -0.290 0.000 2.343 1312 S HA -0.146 4.325 4.470 0.001 0.000 0.219 1312 S C 1.683 176.240 174.600 -0.071 0.000 1.033 1312 S CA 1.788 59.881 58.200 -0.179 0.000 1.014 1312 S CB -0.591 62.511 63.200 -0.163 0.000 0.915 1312 S HN 0.850 nan 8.310 nan 0.000 0.435 1313 F N 1.714 121.629 119.950 -0.059 0.000 2.407 1313 F HA 0.154 4.682 4.527 0.001 0.000 0.299 1313 F C 2.073 177.846 175.800 -0.045 0.000 1.097 1313 F CA 0.683 58.660 58.000 -0.039 0.000 1.422 1313 F CB -1.057 37.918 39.000 -0.042 0.000 1.067 1313 F HN 0.009 nan 8.300 nan 0.000 0.539 1314 S N 0.088 115.433 115.700 -0.592 0.000 2.348 1314 S HA -0.233 4.238 4.470 0.001 0.000 0.221 1314 S C 2.055 176.583 174.600 -0.120 0.000 1.033 1314 S CA 1.356 59.324 58.200 -0.387 0.000 1.010 1314 S CB -0.870 62.042 63.200 -0.480 0.000 0.891 1314 S HN 0.639 nan 8.310 nan 0.000 0.442 1315 H N 1.396 120.366 119.070 -0.168 0.000 2.387 1315 H HA 0.001 4.557 4.556 0.001 0.000 0.299 1315 H C 2.435 177.745 175.328 -0.030 0.000 1.099 1315 H CA 1.672 57.666 56.048 -0.090 0.000 1.315 1315 H CB -0.090 29.615 29.762 -0.094 0.000 1.380 1315 H HN 0.231 nan 8.280 nan 0.000 0.513 1316 R N 0.087 120.653 120.500 0.109 0.000 2.120 1316 R HA -0.068 4.273 4.340 0.001 0.000 0.234 1316 R C 2.236 178.567 176.300 0.053 0.000 1.123 1316 R CA 1.423 57.583 56.100 0.100 0.000 0.975 1316 R CB 0.064 30.442 30.300 0.130 0.000 0.866 1316 R HN 0.124 nan 8.270 nan 0.000 0.446 1317 S N 0.382 116.114 115.700 0.053 0.000 2.522 1317 S HA 0.040 4.511 4.470 0.001 0.000 0.227 1317 S C 1.592 176.192 174.600 0.000 0.000 0.986 1317 S CA 0.358 58.593 58.200 0.057 0.000 0.929 1317 S CB -0.040 63.214 63.200 0.090 0.000 0.769 1317 S HN 0.315 nan 8.310 nan 0.000 0.529 1318 I N 1.798 122.319 120.570 -0.081 0.000 2.502 1318 I HA -0.289 3.882 4.170 0.001 0.000 0.258 1318 I C 2.548 178.635 176.117 -0.050 0.000 1.172 1318 I CA 1.006 62.242 61.300 -0.106 0.000 1.430 1318 I CB -0.409 37.456 38.000 -0.225 0.000 1.086 1318 I HN 0.310 nan 8.210 nan 0.000 0.440 1319 A N 0.383 123.189 122.820 -0.023 0.000 1.969 1319 A HA -0.033 4.287 4.320 0.001 0.000 0.218 1319 A C 1.382 178.980 177.584 0.024 0.000 1.169 1319 A CA 1.439 53.478 52.037 0.003 0.000 0.635 1319 A CB -0.581 18.430 19.000 0.018 0.000 0.810 1319 A HN 0.300 nan 8.150 nan 0.000 0.445 1320 V N -4.308 115.638 119.914 0.053 0.000 3.369 1320 V HA 0.690 4.811 4.120 0.001 0.000 0.301 1320 V C -0.604 175.544 176.094 0.090 0.000 1.184 1320 V CA -1.239 61.109 62.300 0.080 0.000 1.013 1320 V CB 1.302 33.214 31.823 0.149 0.000 1.230 1320 V HN 0.101 nan 8.190 nan 0.000 0.464 1321 K N 0.342 120.819 120.400 0.129 0.000 2.482 1321 K HA 0.372 4.692 4.320 0.001 0.000 0.251 1321 K C -1.209 175.490 176.600 0.166 0.000 0.936 1321 K CA -0.256 56.102 56.287 0.118 0.000 0.791 1321 K CB 1.427 33.982 32.500 0.092 0.000 1.213 1321 K HN 0.918 nan 8.250 nan 0.000 0.428 1322 D N 0.554 121.013 120.400 0.097 0.000 2.837 1322 D HA -0.167 4.473 4.640 0.001 0.000 0.230 1322 D C 0.207 176.478 176.300 -0.047 0.000 1.152 1322 D CA 1.841 55.846 54.000 0.009 0.000 0.736 1322 D CB -0.783 39.991 40.800 -0.044 0.000 1.084 1322 D HN 0.880 nan 8.370 nan 0.000 0.429 1323 G N -0.835 108.056 108.800 0.151 0.000 2.608 1323 G HA2 0.682 4.643 3.960 0.001 0.000 0.291 1323 G HA3 0.682 4.643 3.960 0.001 0.000 0.291 1323 G C -0.937 174.029 174.900 0.111 0.000 1.425 1323 G CA -0.460 44.743 45.100 0.172 0.000 0.787 1323 G HN 0.354 nan 8.290 nan 0.000 0.484 1324 I N -2.141 118.433 120.570 0.007 0.000 2.730 1324 I HA 0.745 4.916 4.170 0.001 0.000 0.298 1324 I C -1.223 174.903 176.117 0.016 0.000 1.089 1324 I CA -1.391 59.922 61.300 0.021 0.000 1.041 1324 I CB 2.391 40.354 38.000 -0.063 0.000 1.235 1324 I HN 0.314 nan 8.210 nan 0.000 0.423 1325 L N 5.647 126.929 121.223 0.099 0.000 2.276 1325 L HA 0.504 4.844 4.340 0.001 0.000 0.286 1325 L C -0.142 176.758 176.870 0.049 0.000 1.024 1325 L CA -0.568 54.336 54.840 0.107 0.000 0.826 1325 L CB 1.259 43.403 42.059 0.141 0.000 1.211 1325 L HN 0.497 nan 8.230 nan 0.000 0.422 1326 L N 2.189 123.412 121.223 0.000 0.000 2.464 1326 L HA 0.250 4.590 4.340 0.001 0.000 0.264 1326 L C 1.540 178.424 176.870 0.024 0.000 1.199 1326 L CA -0.154 54.667 54.840 -0.031 0.000 0.818 1326 L CB 0.881 42.907 42.059 -0.056 0.000 1.102 1326 L HN 0.748 nan 8.230 nan 0.000 0.473 1327 A N 0.323 123.161 122.820 0.030 0.000 2.209 1327 A HA -0.080 4.241 4.320 0.001 0.000 0.212 1327 A C 1.688 179.298 177.584 0.042 0.000 1.158 1327 A CA 1.321 53.388 52.037 0.050 0.000 0.742 1327 A CB -0.786 18.251 19.000 0.062 0.000 0.790 1327 A HN 0.881 nan 8.150 nan 0.000 0.472 1328 T N -4.414 110.157 114.554 0.029 0.000 3.144 1328 T HA 0.408 4.759 4.350 0.001 0.000 0.249 1328 T C 1.288 176.005 174.700 0.029 0.000 1.089 1328 T CA 0.874 62.990 62.100 0.026 0.000 0.989 1328 T CB -0.024 68.853 68.868 0.015 0.000 0.992 1328 T HN 1.520 nan 8.240 nan 0.000 0.540 1329 G N 1.047 109.870 108.800 0.038 0.000 2.143 1329 G HA2 -0.202 3.758 3.960 0.001 0.000 0.249 1329 G HA3 -0.202 3.758 3.960 0.001 0.000 0.249 1329 G C -0.131 174.801 174.900 0.053 0.000 0.981 1329 G CA 0.098 45.225 45.100 0.045 0.000 0.665 1329 G HN 0.613 nan 8.290 nan 0.000 0.528 1330 L N -0.297 120.956 121.223 0.049 0.000 2.344 1330 L HA 0.721 5.061 4.340 0.001 0.000 0.272 1330 L C 0.392 177.321 176.870 0.097 0.000 1.035 1330 L CA -1.338 53.540 54.840 0.063 0.000 0.807 1330 L CB 1.579 43.655 42.059 0.029 0.000 1.237 1330 L HN 0.307 nan 8.230 nan 0.000 0.442 1331 H N 0.696 119.787 119.070 0.036 0.000 2.469 1331 H HA 0.632 5.188 4.556 0.001 0.000 0.342 1331 H C -1.445 173.927 175.328 0.073 0.000 1.115 1331 H CA -0.538 55.547 56.048 0.061 0.000 1.204 1331 H CB 1.730 31.534 29.762 0.070 0.000 1.492 1331 H HN 0.200 nan 8.280 nan 0.000 0.499 1332 V N 5.412 125.007 119.914 -0.532 0.000 2.443 1332 V HA 0.165 4.285 4.120 0.001 0.000 0.293 1332 V C -0.470 175.419 176.094 -0.342 0.000 1.021 1332 V CA -0.747 61.385 62.300 -0.281 0.000 0.848 1332 V CB 0.896 32.668 31.823 -0.084 0.000 0.998 1332 V HN 0.879 nan 8.190 nan 0.000 0.424 1333 H N 4.095 123.010 119.070 -0.258 0.000 2.511 1333 H HA 0.347 4.904 4.556 0.001 0.000 0.346 1333 H C 1.501 176.680 175.328 -0.248 0.000 1.128 1333 H CA -0.379 55.618 56.048 -0.085 0.000 1.342 1333 H CB 1.175 30.979 29.762 0.070 0.000 1.470 1333 H HN 0.645 nan 8.280 nan 0.000 0.546 1334 R N 2.271 122.399 120.500 -0.620 0.000 2.200 1334 R HA -0.185 4.156 4.340 0.001 0.000 0.234 1334 R C 1.063 177.242 176.300 -0.202 0.000 1.127 1334 R CA 1.768 57.487 56.100 -0.634 0.000 0.989 1334 R CB -0.313 29.909 30.300 -0.130 0.000 0.869 1334 R HN 0.478 nan 8.270 nan 0.000 0.459 1335 N N 0.811 119.545 118.700 0.056 0.000 2.104 1335 N HA -0.118 4.622 4.740 0.001 0.000 0.190 1335 N C 1.511 177.035 175.510 0.023 0.000 1.024 1335 N CA 1.985 55.116 53.050 0.135 0.000 0.853 1335 N CB -0.128 38.511 38.487 0.254 0.000 1.008 1335 N HN 0.213 nan 8.380 nan 0.000 0.424 1336 S N -0.129 115.544 115.700 -0.046 0.000 2.371 1336 S HA 0.010 4.481 4.470 0.001 0.000 0.224 1336 S C 2.029 176.511 174.600 -0.196 0.000 1.029 1336 S CA 0.858 58.998 58.200 -0.100 0.000 0.978 1336 S CB -0.392 62.754 63.200 -0.091 0.000 0.833 1336 S HN 0.499 nan 8.310 nan 0.000 0.466 1337 A N 1.556 124.114 122.820 -0.437 0.000 1.883 1337 A HA -0.213 4.108 4.320 0.001 0.000 0.217 1337 A C 1.783 179.185 177.584 -0.303 0.000 1.186 1337 A CA 2.057 53.782 52.037 -0.520 0.000 0.624 1337 A CB -1.051 17.230 19.000 -1.198 0.000 0.822 1337 A HN 0.556 nan 8.150 nan 0.000 0.444 1338 H N -0.489 118.453 119.070 -0.214 0.000 2.321 1338 H HA -0.049 4.507 4.556 0.001 0.000 0.300 1338 H C 2.573 177.872 175.328 -0.048 0.000 1.087 1338 H CA 1.857 57.852 56.048 -0.089 0.000 1.319 1338 H CB -0.140 29.582 29.762 -0.067 0.000 1.379 1338 H HN 0.455 nan 8.280 nan 0.000 0.501 1339 S N -0.306 115.429 115.700 0.058 0.000 2.399 1339 S HA -0.130 4.341 4.470 0.001 0.000 0.231 1339 S C 2.231 176.836 174.600 0.008 0.000 1.022 1339 S CA 0.815 59.033 58.200 0.030 0.000 0.983 1339 S CB -0.211 62.996 63.200 0.011 0.000 0.803 1339 S HN 0.578 nan 8.310 nan 0.000 0.480 1340 A N -0.009 122.798 122.820 -0.022 0.000 2.123 1340 A HA 0.482 4.803 4.320 0.001 0.000 0.214 1340 A C 1.714 179.315 177.584 0.028 0.000 1.152 1340 A CA 1.078 53.104 52.037 -0.019 0.000 0.728 1340 A CB -0.425 18.541 19.000 -0.057 0.000 0.814 1340 A HN 0.816 nan 8.150 nan 0.000 0.464 1341 G N -1.893 106.925 108.800 0.029 0.000 2.192 1341 G HA2 -0.163 3.798 3.960 0.001 0.000 0.193 1341 G HA3 -0.163 3.798 3.960 0.001 0.000 0.193 1341 G C 0.725 175.677 174.900 0.086 0.000 0.999 1341 G CA 0.539 45.689 45.100 0.084 0.000 0.659 1341 G HN 1.551 nan 8.290 nan 0.000 0.503 1342 V N -0.799 119.123 119.914 0.013 0.000 3.121 1342 V HA 0.692 4.812 4.120 0.001 0.000 0.344 1342 V C 1.885 177.880 176.094 -0.164 0.000 1.390 1342 V CA 1.183 63.477 62.300 -0.010 0.000 1.177 1342 V CB -0.013 31.831 31.823 0.035 0.000 1.163 1342 V HN 0.784 nan 8.190 nan 0.000 0.484 1343 G N 1.059 109.612 108.800 -0.411 0.000 2.442 1343 G HA2 -0.171 3.789 3.960 0.001 0.000 0.219 1343 G HA3 -0.171 3.789 3.960 0.001 0.000 0.219 1343 G C 1.567 176.239 174.900 -0.380 0.000 1.141 1343 G CA 1.256 45.776 45.100 -0.967 0.000 0.763 1343 G HN 0.860 nan 8.290 nan 0.000 0.554 1344 A N 0.721 123.451 122.820 -0.150 0.000 1.858 1344 A HA -0.021 4.300 4.320 0.001 0.000 0.216 1344 A C 2.351 179.951 177.584 0.026 0.000 1.190 1344 A CA 1.700 53.738 52.037 0.001 0.000 0.617 1344 A CB -0.445 18.577 19.000 0.037 0.000 0.827 1344 A HN 0.382 nan 8.150 nan 0.000 0.443 1345 I N -1.780 118.792 120.570 0.002 0.000 2.394 1345 I HA -0.106 4.065 4.170 0.001 0.000 0.251 1345 I C 2.045 178.165 176.117 0.004 0.000 1.136 1345 I CA 0.749 62.033 61.300 -0.026 0.000 1.425 1345 I CB -0.555 37.336 38.000 -0.183 0.000 1.079 1345 I HN 0.385 nan 8.210 nan 0.000 0.425 1346 F N 1.365 121.242 119.950 -0.122 0.000 2.095 1346 F HA -0.278 4.249 4.527 0.001 0.000 0.298 1346 F C 2.184 177.964 175.800 -0.033 0.000 1.104 1346 F CA 2.103 60.056 58.000 -0.079 0.000 1.232 1346 F CB -0.311 38.615 39.000 -0.123 0.000 0.987 1346 F HN 0.123 nan 8.300 nan 0.000 0.475 1347 D N -0.361 120.182 120.400 0.238 0.000 2.219 1347 D HA -0.137 4.504 4.640 0.001 0.000 0.205 1347 D C 2.291 178.617 176.300 0.043 0.000 0.970 1347 D CA 0.838 54.941 54.000 0.171 0.000 0.851 1347 D CB -0.335 40.587 40.800 0.203 0.000 0.943 1347 D HN 0.266 nan 8.370 nan 0.000 0.488 1348 R N 0.137 120.645 120.500 0.013 0.000 2.090 1348 R HA -0.041 4.299 4.340 0.001 0.000 0.228 1348 R C 2.155 178.414 176.300 -0.069 0.000 1.110 1348 R CA 0.524 56.611 56.100 -0.022 0.000 0.973 1348 R CB -0.096 30.193 30.300 -0.019 0.000 0.869 1348 R HN -0.013 nan 8.270 nan 0.000 0.440 1349 V N 0.929 120.774 119.914 -0.114 0.000 2.358 1349 V HA -0.235 3.886 4.120 0.001 0.000 0.246 1349 V C 2.206 178.194 176.094 -0.175 0.000 1.047 1349 V CA 1.620 63.817 62.300 -0.171 0.000 1.035 1349 V CB -0.327 31.368 31.823 -0.214 0.000 0.658 1349 V HN 0.333 nan 8.190 nan 0.000 0.452 1350 L N 0.317 121.431 121.223 -0.181 0.000 2.046 1350 L HA -0.170 4.171 4.340 0.001 0.000 0.208 1350 L C 2.691 179.521 176.870 -0.067 0.000 1.077 1350 L CA 2.207 56.974 54.840 -0.121 0.000 0.747 1350 L CB -0.940 41.082 42.059 -0.062 0.000 0.896 1350 L HN 0.585 nan 8.230 nan 0.000 0.432 1351 T N -4.225 110.302 114.554 -0.045 0.000 2.976 1351 T HA -0.041 4.310 4.350 0.001 0.000 0.257 1351 T C 1.551 176.223 174.700 -0.046 0.000 1.051 1351 T CA 0.435 62.516 62.100 -0.033 0.000 1.141 1351 T CB -0.100 68.762 68.868 -0.011 0.000 0.881 1351 T HN 0.312 nan 8.240 nan 0.000 0.461 1352 E N 0.114 120.279 120.200 -0.059 0.000 2.385 1352 E HA 0.177 4.528 4.350 0.001 0.000 0.194 1352 E C 1.076 177.626 176.600 -0.084 0.000 1.013 1352 E CA 0.194 56.555 56.400 -0.065 0.000 0.866 1352 E CB 0.207 29.869 29.700 -0.063 0.000 0.832 1352 E HN 0.277 nan 8.360 nan 0.000 0.500 1353 L N -1.128 120.033 121.223 -0.104 0.000 2.862 1353 L HA 0.039 4.379 4.340 0.001 0.000 0.169 1353 L C 2.004 178.804 176.870 -0.117 0.000 1.164 1353 L CA 0.522 55.287 54.840 -0.126 0.000 0.858 1353 L CB -0.737 41.213 42.059 -0.182 0.000 1.329 1353 L HN -0.107 nan 8.230 nan 0.000 0.514 1354 V N -0.311 119.527 119.914 -0.127 0.000 2.252 1354 V HA -0.288 3.832 4.120 0.001 0.000 0.249 1354 V C 2.521 178.564 176.094 -0.085 0.000 1.056 1354 V CA 2.238 64.472 62.300 -0.110 0.000 1.022 1354 V CB -0.882 30.884 31.823 -0.096 0.000 0.641 1354 V HN 0.399 nan 8.190 nan 0.000 0.445 1355 S N -0.608 115.052 115.700 -0.067 0.000 2.356 1355 S HA -0.167 4.303 4.470 0.001 0.000 0.223 1355 S C 2.014 176.583 174.600 -0.051 0.000 1.032 1355 S CA 1.180 59.351 58.200 -0.049 0.000 1.005 1355 S CB -0.292 62.887 63.200 -0.035 0.000 0.867 1355 S HN 0.484 nan 8.310 nan 0.000 0.449 1356 K N 1.121 121.488 120.400 -0.056 0.000 2.147 1356 K HA 0.077 4.397 4.320 0.001 0.000 0.205 1356 K C 1.923 178.491 176.600 -0.054 0.000 1.049 1356 K CA 1.025 57.281 56.287 -0.052 0.000 0.936 1356 K CB -0.429 32.038 32.500 -0.055 0.000 0.722 1356 K HN 0.448 nan 8.250 nan 0.000 0.446 1357 M N -0.211 119.352 119.600 -0.062 0.000 2.288 1357 M HA -0.049 4.431 4.480 0.001 0.000 0.266 1357 M C 2.307 178.560 176.300 -0.078 0.000 1.072 1357 M CA 1.177 56.443 55.300 -0.057 0.000 1.132 1357 M CB -0.126 32.437 32.600 -0.062 0.000 1.386 1357 M HN 0.027 nan 8.290 nan 0.000 0.432 1358 R N 0.586 121.035 120.500 -0.085 0.000 2.119 1358 R HA -0.082 4.259 4.340 0.001 0.000 0.222 1358 R C 0.053 176.325 176.300 -0.046 0.000 1.088 1358 R CA 1.201 57.256 56.100 -0.075 0.000 0.984 1358 R CB 0.131 30.391 30.300 -0.067 0.000 0.884 1358 R HN 0.178 nan 8.270 nan 0.000 0.447 1359 D N 0.415 120.790 120.400 -0.042 0.000 2.519 1359 D HA 0.038 4.679 4.640 0.001 0.000 0.238 1359 D C 0.536 176.815 176.300 -0.035 0.000 1.192 1359 D CA 0.386 54.367 54.000 -0.032 0.000 0.835 1359 D CB 0.575 41.358 40.800 -0.029 0.000 0.975 1359 D HN 0.466 nan 8.370 nan 0.000 0.490 1360 M N -3.161 116.415 119.600 -0.041 0.000 3.129 1360 M HA 0.084 4.564 4.480 0.001 0.000 0.507 1360 M C -1.018 175.248 176.300 -0.058 0.000 1.402 1360 M CA -0.329 54.938 55.300 -0.056 0.000 0.927 1360 M CB 0.107 32.667 32.600 -0.067 0.000 2.113 1360 M HN -0.290 nan 8.290 nan 0.000 0.723 1361 Q N 2.119 121.902 119.800 -0.030 0.000 2.443 1361 Q HA -0.116 4.224 4.340 0.001 0.000 0.362 1361 Q C -0.397 175.621 176.000 0.030 0.000 1.423 1361 Q CA 1.096 56.899 55.803 0.001 0.000 1.037 1361 Q CB -1.105 27.653 28.738 0.033 0.000 1.208 1361 Q HN 0.779 nan 8.270 nan 0.000 0.334 1362 M N 2.623 122.254 119.600 0.052 0.000 2.219 1362 M HA 0.060 4.540 4.480 0.001 0.000 0.353 1362 M C 0.078 176.566 176.300 0.313 0.000 1.304 1362 M CA -0.037 55.354 55.300 0.151 0.000 1.115 1362 M CB 0.477 33.196 32.600 0.198 0.000 1.664 1362 M HN 0.277 nan 8.290 nan 0.000 0.459 1363 D N 3.883 124.428 120.400 0.243 0.000 2.193 1363 D HA 0.214 4.855 4.640 0.001 0.000 0.249 1363 D C 0.262 176.612 176.300 0.083 0.000 1.034 1363 D CA -0.578 53.563 54.000 0.234 0.000 0.902 1363 D CB 0.947 41.923 40.800 0.293 0.000 1.182 1363 D HN 0.579 nan 8.370 nan 0.000 0.436 1364 K N 0.302 120.713 120.400 0.018 0.000 2.144 1364 K HA -0.178 4.143 4.320 0.001 0.000 0.209 1364 K C 1.674 178.197 176.600 -0.128 0.000 1.047 1364 K CA 1.966 58.164 56.287 -0.148 0.000 0.927 1364 K CB -0.297 32.175 32.500 -0.047 0.000 0.716 1364 K HN 0.500 nan 8.250 nan 0.000 0.454 1365 T N 0.696 115.198 114.554 -0.087 0.000 2.881 1365 T HA -0.123 4.228 4.350 0.001 0.000 0.270 1365 T C 1.504 176.076 174.700 -0.215 0.000 1.068 1365 T CA 1.245 63.224 62.100 -0.201 0.000 1.131 1365 T CB -0.067 68.557 68.868 -0.406 0.000 0.871 1365 T HN 0.335 nan 8.240 nan 0.000 0.479 1366 E N 0.269 120.402 120.200 -0.111 0.000 2.086 1366 E HA 0.038 4.389 4.350 0.001 0.000 0.190 1366 E C 2.065 178.622 176.600 -0.071 0.000 0.975 1366 E CA 0.339 56.718 56.400 -0.036 0.000 0.813 1366 E CB -0.141 29.607 29.700 0.079 0.000 0.768 1366 E HN 0.242 nan 8.360 nan 0.000 0.457 1367 L N 0.574 121.707 121.223 -0.151 0.000 2.042 1367 L HA -0.079 4.262 4.340 0.001 0.000 0.210 1367 L C 2.121 178.899 176.870 -0.154 0.000 1.076 1367 L CA 2.272 56.979 54.840 -0.222 0.000 0.749 1367 L CB -0.774 40.970 42.059 -0.526 0.000 0.893 1367 L HN 0.115 nan 8.230 nan 0.000 0.432 1368 G N -1.338 107.395 108.800 -0.110 0.000 2.422 1368 G HA2 -0.259 3.701 3.960 0.001 0.000 0.218 1368 G HA3 -0.259 3.701 3.960 0.001 0.000 0.218 1368 G C 1.518 176.451 174.900 0.055 0.000 1.146 1368 G CA 0.983 46.091 45.100 0.013 0.000 0.769 1368 G HN 0.552 nan 8.290 nan 0.000 0.547 1369 C N 0.127 119.425 119.300 -0.004 0.000 2.457 1369 C HA 0.175 4.636 4.460 0.001 0.000 0.278 1369 C C 2.885 177.878 174.990 0.006 0.000 1.309 1369 C CA 0.248 59.277 59.018 0.018 0.000 1.735 1369 C CB -0.957 26.793 27.740 0.017 0.000 1.992 1369 C HN 0.421 nan 8.230 nan 0.000 0.493 1370 L N 0.311 121.518 121.223 -0.027 0.000 2.046 1370 L HA -0.146 4.195 4.340 0.001 0.000 0.208 1370 L C 2.868 179.703 176.870 -0.060 0.000 1.077 1370 L CA 1.492 56.299 54.840 -0.055 0.000 0.747 1370 L CB -0.709 41.306 42.059 -0.074 0.000 0.896 1370 L HN 0.337 nan 8.230 nan 0.000 0.432 1371 R N 0.048 120.508 120.500 -0.066 0.000 2.091 1371 R HA -0.169 4.172 4.340 0.001 0.000 0.238 1371 R C 2.398 178.744 176.300 0.077 0.000 1.136 1371 R CA 1.463 57.508 56.100 -0.092 0.000 0.959 1371 R CB -0.487 29.666 30.300 -0.245 0.000 0.856 1371 R HN 0.367 nan 8.270 nan 0.000 0.437 1372 A N 0.812 123.731 122.820 0.165 0.000 1.969 1372 A HA -0.101 4.219 4.320 0.001 0.000 0.218 1372 A C 2.087 179.712 177.584 0.068 0.000 1.169 1372 A CA 1.033 53.137 52.037 0.111 0.000 0.635 1372 A CB -0.339 18.737 19.000 0.127 0.000 0.810 1372 A HN 0.191 nan 8.150 nan 0.000 0.445 1373 I N -0.752 119.828 120.570 0.018 0.000 2.286 1373 I HA -0.178 3.992 4.170 0.001 0.000 0.245 1373 I C 2.320 178.435 176.117 -0.003 0.000 1.104 1373 I CA 0.846 62.115 61.300 -0.053 0.000 1.397 1373 I CB -0.167 37.693 38.000 -0.233 0.000 1.072 1373 I HN 0.147 nan 8.210 nan 0.000 0.417 1374 V N 0.820 120.718 119.914 -0.027 0.000 2.343 1374 V HA -0.289 3.832 4.120 0.001 0.000 0.247 1374 V C 2.405 178.492 176.094 -0.012 0.000 1.051 1374 V CA 1.761 64.043 62.300 -0.031 0.000 1.036 1374 V CB -0.548 31.227 31.823 -0.080 0.000 0.654 1374 V HN 0.378 nan 8.190 nan 0.000 0.451 1375 L N -0.247 120.953 121.223 -0.039 0.000 2.042 1375 L HA -0.063 4.278 4.340 0.001 0.000 0.210 1375 L C 1.325 178.143 176.870 -0.086 0.000 1.076 1375 L CA 1.800 56.578 54.840 -0.104 0.000 0.749 1375 L CB -0.637 41.278 42.059 -0.241 0.000 0.893 1375 L HN 0.298 nan 8.230 nan 0.000 0.432 1376 F N 0.770 120.772 119.950 0.088 0.000 2.669 1376 F HA 0.177 4.704 4.527 0.000 0.000 0.353 1376 F C 0.564 176.402 175.800 0.063 0.000 1.192 1376 F CA -0.657 57.394 58.000 0.086 0.000 1.317 1376 F CB -0.715 38.319 39.000 0.058 0.000 1.652 1376 F HN 0.171 nan 8.300 nan 0.000 0.608 1377 N N 3.520 122.347 118.700 0.212 0.000 2.469 1377 N HA 0.144 4.884 4.740 0.001 0.000 0.239 1377 N C -1.606 173.987 175.510 0.139 0.000 1.053 1377 N CA -2.567 50.571 53.050 0.147 0.000 0.937 1377 N CB 0.812 39.356 38.487 0.096 0.000 1.163 1377 N HN 0.014 nan 8.380 nan 0.000 0.509 1378 P HA -0.025 nan 4.420 nan 0.000 0.239 1378 P C -0.410 176.935 177.300 0.075 0.000 1.184 1378 P CA 0.798 63.958 63.100 0.099 0.000 0.760 1378 P CB 0.464 32.215 31.700 0.085 0.000 0.884 1379 D N -0.704 119.739 120.400 0.072 0.000 2.349 1379 D HA 0.055 4.696 4.640 0.001 0.000 0.214 1379 D C 0.249 176.581 176.300 0.054 0.000 1.063 1379 D CA 0.212 54.245 54.000 0.055 0.000 0.847 1379 D CB 0.237 41.066 40.800 0.048 0.000 0.933 1379 D HN 0.105 nan 8.370 nan 0.000 0.513 1380 S N 1.316 117.056 115.700 0.066 0.000 2.537 1380 S HA 0.039 4.509 4.470 0.001 0.000 0.286 1380 S C 0.490 175.124 174.600 0.057 0.000 1.299 1380 S CA -0.017 58.223 58.200 0.067 0.000 1.067 1380 S CB 0.868 64.119 63.200 0.085 0.000 0.864 1380 S HN 0.064 nan 8.310 nan 0.000 0.494 1381 K N 1.979 122.410 120.400 0.051 0.000 2.412 1381 K HA 0.372 4.692 4.320 0.001 0.000 0.284 1381 K C 1.226 177.851 176.600 0.043 0.000 1.046 1381 K CA 0.456 56.769 56.287 0.043 0.000 0.999 1381 K CB 0.280 32.804 32.500 0.040 0.000 0.941 1381 K HN 0.909 nan 8.250 nan 0.000 0.474 1382 G N 1.977 110.798 108.800 0.036 0.000 2.201 1382 G HA2 -0.210 3.751 3.960 0.001 0.000 0.212 1382 G HA3 -0.210 3.751 3.960 0.001 0.000 0.212 1382 G C -0.243 174.675 174.900 0.030 0.000 0.994 1382 G CA -0.732 44.387 45.100 0.032 0.000 0.644 1382 G HN 0.409 nan 8.290 nan 0.000 0.508 1383 L N 2.385 123.629 121.223 0.035 0.000 2.540 1383 L HA 0.392 4.732 4.340 0.001 0.000 0.276 1383 L C 2.118 179.000 176.870 0.021 0.000 1.212 1383 L CA 1.268 56.129 54.840 0.033 0.000 0.893 1383 L CB 1.087 43.173 42.059 0.045 0.000 1.138 1383 L HN 0.555 nan 8.230 nan 0.000 0.491 1384 S N 3.624 119.332 115.700 0.013 0.000 2.338 1384 S HA -0.118 4.352 4.470 0.001 0.000 0.218 1384 S C 0.878 175.481 174.600 0.004 0.000 1.032 1384 S CA 1.061 59.264 58.200 0.005 0.000 0.999 1384 S CB -0.244 62.953 63.200 -0.004 0.000 0.905 1384 S HN 0.754 nan 8.310 nan 0.000 0.439 1385 N N 1.654 120.356 118.700 0.004 0.000 2.776 1385 N HA 0.327 5.067 4.740 0.001 0.000 0.245 1385 N C -2.275 173.241 175.510 0.010 0.000 1.121 1385 N CA -1.940 51.111 53.050 0.001 0.000 0.852 1385 N CB 1.719 40.200 38.487 -0.010 0.000 1.142 1385 N HN 0.249 nan 8.380 nan 0.000 0.514 1386 P HA -0.083 nan 4.420 nan 0.000 0.223 1386 P C 1.011 178.323 177.300 0.019 0.000 1.151 1386 P CA 0.698 63.815 63.100 0.028 0.000 0.787 1386 P CB 0.372 32.090 31.700 0.030 0.000 0.788 1387 A N 0.591 123.414 122.820 0.005 0.000 1.929 1387 A HA -0.163 4.158 4.320 0.001 0.000 0.216 1387 A C 2.379 179.948 177.584 -0.024 0.000 1.176 1387 A CA 1.352 53.385 52.037 -0.006 0.000 0.628 1387 A CB -1.191 17.804 19.000 -0.009 0.000 0.816 1387 A HN 0.176 nan 8.150 nan 0.000 0.444 1388 E N -0.143 120.038 120.200 -0.032 0.000 2.107 1388 E HA -0.104 4.247 4.350 0.001 0.000 0.191 1388 E C 1.881 178.428 176.600 -0.089 0.000 0.982 1388 E CA 1.246 57.607 56.400 -0.064 0.000 0.809 1388 E CB -0.046 29.620 29.700 -0.055 0.000 0.756 1388 E HN 0.344 nan 8.360 nan 0.000 0.459 1389 V N 1.295 121.189 119.914 -0.033 0.000 2.295 1389 V HA -0.264 3.857 4.120 0.001 0.000 0.246 1389 V C 2.420 178.491 176.094 -0.037 0.000 1.049 1389 V CA 2.258 64.556 62.300 -0.003 0.000 1.024 1389 V CB -0.654 31.239 31.823 0.117 0.000 0.648 1389 V HN 0.374 nan 8.190 nan 0.000 0.447 1390 E N 0.719 120.920 120.200 0.001 0.000 2.085 1390 E HA -0.259 4.091 4.350 0.001 0.000 0.194 1390 E C 2.163 178.747 176.600 -0.025 0.000 0.994 1390 E CA 1.683 58.094 56.400 0.018 0.000 0.801 1390 E CB -0.357 29.360 29.700 0.028 0.000 0.743 1390 E HN 0.540 nan 8.360 nan 0.000 0.453 1391 A N 0.950 123.728 122.820 -0.071 0.000 1.908 1391 A HA -0.175 4.146 4.320 0.001 0.000 0.218 1391 A C 2.261 179.739 177.584 -0.176 0.000 1.181 1391 A CA 1.538 53.515 52.037 -0.100 0.000 0.627 1391 A CB -0.774 18.157 19.000 -0.116 0.000 0.818 1391 A HN 0.366 nan 8.150 nan 0.000 0.445 1392 L N -1.269 119.760 121.223 -0.323 0.000 2.083 1392 L HA -0.195 4.146 4.340 0.001 0.000 0.209 1392 L C 2.759 179.352 176.870 -0.462 0.000 1.083 1392 L CA 1.769 56.261 54.840 -0.580 0.000 0.752 1392 L CB -0.460 40.884 42.059 -1.192 0.000 0.899 1392 L HN 0.493 nan 8.230 nan 0.000 0.433 1393 R N 0.372 120.714 120.500 -0.263 0.000 2.080 1393 R HA -0.189 4.151 4.340 0.001 0.000 0.236 1393 R C 2.243 178.561 176.300 0.030 0.000 1.137 1393 R CA 1.502 57.577 56.100 -0.042 0.000 0.943 1393 R CB -0.154 30.204 30.300 0.096 0.000 0.846 1393 R HN 0.206 nan 8.270 nan 0.000 0.431 1394 E N 0.884 121.171 120.200 0.145 0.000 2.147 1394 E HA -0.240 4.110 4.350 0.001 0.000 0.199 1394 E C 1.844 178.541 176.600 0.162 0.000 1.005 1394 E CA 1.590 58.142 56.400 0.254 0.000 0.810 1394 E CB -0.131 29.640 29.700 0.118 0.000 0.736 1394 E HN 0.489 nan 8.360 nan 0.000 0.460 1395 K N 0.303 120.718 120.400 0.025 0.000 2.148 1395 K HA -0.049 4.271 4.320 0.001 0.000 0.204 1395 K C 2.212 178.841 176.600 0.049 0.000 1.050 1395 K CA 0.869 57.161 56.287 0.009 0.000 0.942 1395 K CB 0.053 32.511 32.500 -0.070 0.000 0.724 1395 K HN -0.030 nan 8.250 nan 0.000 0.446 1396 V N 0.444 120.378 119.914 0.032 0.000 2.453 1396 V HA -0.213 3.907 4.120 0.001 0.000 0.247 1396 V C 1.805 177.958 176.094 0.098 0.000 1.048 1396 V CA 1.423 63.752 62.300 0.047 0.000 1.049 1396 V CB -0.574 31.262 31.823 0.022 0.000 0.672 1396 V HN 0.176 nan 8.190 nan 0.000 0.457 1397 Y N 1.093 121.487 120.300 0.155 0.000 2.070 1397 Y HA -0.227 4.323 4.550 0.000 0.000 0.280 1397 Y C 2.608 178.579 175.900 0.119 0.000 1.148 1397 Y CA 1.517 59.759 58.100 0.236 0.000 1.125 1397 Y CB -1.257 37.332 38.460 0.215 0.000 0.975 1397 Y HN 0.172 nan 8.280 nan 0.000 0.492 1398 A N -0.928 122.026 122.820 0.223 0.000 1.849 1398 A HA -0.283 4.037 4.320 0.001 0.000 0.217 1398 A C 2.555 180.159 177.584 0.033 0.000 1.202 1398 A CA 2.489 54.563 52.037 0.063 0.000 0.629 1398 A CB -1.504 17.527 19.000 0.052 0.000 0.834 1398 A HN 0.410 nan 8.150 nan 0.000 0.447 1399 S N -1.037 114.707 115.700 0.072 0.000 2.387 1399 S HA -0.174 4.297 4.470 0.001 0.000 0.230 1399 S C 1.905 176.576 174.600 0.117 0.000 1.035 1399 S CA 1.702 59.949 58.200 0.079 0.000 1.014 1399 S CB -0.486 62.759 63.200 0.076 0.000 0.836 1399 S HN 0.506 nan 8.310 nan 0.000 0.466 1400 L N 1.820 123.133 121.223 0.150 0.000 2.027 1400 L HA 0.075 4.416 4.340 0.001 0.000 0.206 1400 L C 2.275 179.255 176.870 0.184 0.000 1.074 1400 L CA 2.269 57.253 54.840 0.240 0.000 0.745 1400 L CB -0.984 41.297 42.059 0.370 0.000 0.898 1400 L HN 0.385 nan 8.230 nan 0.000 0.433 1401 E N -0.471 119.588 120.200 -0.235 0.000 2.077 1401 E HA -0.253 4.097 4.350 0.001 0.000 0.193 1401 E C 2.078 178.562 176.600 -0.194 0.000 0.989 1401 E CA 1.194 57.151 56.400 -0.740 0.000 0.800 1401 E CB -0.182 28.793 29.700 -1.208 0.000 0.746 1401 E HN 0.606 nan 8.360 nan 0.000 0.452 1402 A N 0.239 123.013 122.820 -0.076 0.000 1.978 1402 A HA -0.222 4.098 4.320 0.001 0.000 0.220 1402 A C 1.999 179.659 177.584 0.126 0.000 1.170 1402 A CA 1.588 53.637 52.037 0.020 0.000 0.636 1402 A CB -0.825 18.197 19.000 0.037 0.000 0.810 1402 A HN 0.615 nan 8.150 nan 0.000 0.448 1403 Y N -0.537 119.805 120.300 0.070 0.000 2.263 1403 Y HA -0.176 4.374 4.550 0.001 0.000 0.292 1403 Y C 2.470 178.473 175.900 0.172 0.000 1.130 1403 Y CA 1.383 59.573 58.100 0.149 0.000 1.179 1403 Y CB -0.603 37.950 38.460 0.155 0.000 0.998 1403 Y HN 0.331 nan 8.280 nan 0.000 0.532 1404 C N 1.382 120.819 119.300 0.227 0.000 2.422 1404 C HA -0.133 4.327 4.460 0.001 0.000 0.279 1404 C C 2.652 177.690 174.990 0.080 0.000 1.305 1404 C CA 1.051 60.195 59.018 0.210 0.000 1.757 1404 C CB -0.812 27.110 27.740 0.304 0.000 1.962 1404 C HN 0.515 nan 8.230 nan 0.000 0.499 1405 K N 0.309 120.728 120.400 0.032 0.000 1.984 1405 K HA -0.154 4.166 4.320 0.001 0.000 0.209 1405 K C 1.855 178.431 176.600 -0.040 0.000 1.046 1405 K CA 1.762 58.055 56.287 0.009 0.000 0.934 1405 K CB -0.878 31.629 32.500 0.012 0.000 0.717 1405 K HN 0.616 nan 8.250 nan 0.000 0.438 1406 H N 1.444 120.438 119.070 -0.127 0.000 2.460 1406 H HA -0.080 4.477 4.556 0.001 0.000 0.297 1406 H C 1.647 176.814 175.328 -0.268 0.000 1.103 1406 H CA 1.708 57.657 56.048 -0.166 0.000 1.292 1406 H CB 0.299 29.974 29.762 -0.145 0.000 1.376 1406 H HN -0.013 nan 8.280 nan 0.000 0.531 1407 K N -0.486 119.463 120.400 -0.751 0.000 2.225 1407 K HA 0.042 4.362 4.320 0.001 0.000 0.204 1407 K C -0.228 175.885 176.600 -0.812 0.000 1.047 1407 K CA 0.545 56.232 56.287 -0.999 0.000 0.970 1407 K CB 0.424 32.160 32.500 -1.272 0.000 0.939 1407 K HN 0.314 nan 8.250 nan 0.000 0.472 1408 Y N 1.835 122.007 120.300 -0.214 0.000 2.747 1408 Y HA 0.238 4.788 4.550 0.001 0.000 0.362 1408 Y C -1.831 174.031 175.900 -0.063 0.000 1.026 1408 Y CA -2.090 55.947 58.100 -0.105 0.000 1.135 1408 Y CB 0.971 39.397 38.460 -0.056 0.000 1.175 1408 Y HN 0.067 nan 8.280 nan 0.000 0.643 1409 P HA -0.075 nan 4.420 nan 0.000 0.227 1409 P C 0.021 177.343 177.300 0.037 0.000 1.161 1409 P CA 0.982 64.095 63.100 0.022 0.000 0.788 1409 P CB 0.467 32.159 31.700 -0.013 0.000 0.822 1410 E N 0.500 120.726 120.200 0.044 0.000 2.321 1410 E HA 0.032 4.383 4.350 0.001 0.000 0.189 1410 E C 0.140 176.773 176.600 0.055 0.000 1.125 1410 E CA 0.243 56.668 56.400 0.041 0.000 1.005 1410 E CB -0.606 29.114 29.700 0.034 0.000 1.140 1410 E HN 0.465 nan 8.360 nan 0.000 0.457 1411 Q N 0.554 120.395 119.800 0.067 0.000 3.825 1411 Q HA 0.145 4.485 4.340 0.001 0.000 0.218 1411 Q C -2.289 173.749 176.000 0.063 0.000 0.882 1411 Q CA -1.162 54.677 55.803 0.059 0.000 0.766 1411 Q CB 1.014 29.787 28.738 0.059 0.000 1.497 1411 Q HN 0.048 nan 8.270 nan 0.000 0.428 1412 P HA -0.089 nan 4.420 nan 0.000 0.288 1412 P C 0.467 177.807 177.300 0.066 0.000 1.448 1412 P CA 0.840 63.972 63.100 0.054 0.000 0.764 1412 P CB 0.014 31.737 31.700 0.038 0.000 1.472 1413 G N -0.373 108.471 108.800 0.074 0.000 2.414 1413 G HA2 -0.036 3.924 3.960 0.001 0.000 0.198 1413 G HA3 -0.036 3.924 3.960 0.001 0.000 0.198 1413 G C 1.430 176.387 174.900 0.096 0.000 1.399 1413 G CA 0.082 45.230 45.100 0.079 0.000 0.618 1413 G HN 0.139 nan 8.290 nan 0.000 1.054 1414 R N -0.235 120.306 120.500 0.068 0.000 2.301 1414 R HA -0.346 3.995 4.340 0.001 0.000 0.250 1414 R C 2.106 178.459 176.300 0.089 0.000 1.102 1414 R CA 2.624 58.746 56.100 0.037 0.000 0.933 1414 R CB -0.779 29.517 30.300 -0.007 0.000 0.955 1414 R HN 0.309 nan 8.270 nan 0.000 0.439 1415 F N 0.616 120.583 119.950 0.028 0.000 2.087 1415 F HA -0.280 4.247 4.527 0.000 0.000 0.299 1415 F C 2.225 178.053 175.800 0.048 0.000 1.100 1415 F CA 2.068 60.104 58.000 0.060 0.000 1.226 1415 F CB -0.816 38.233 39.000 0.081 0.000 0.983 1415 F HN 0.247 nan 8.300 nan 0.000 0.479 1416 A N -0.114 122.684 122.820 -0.037 0.000 1.972 1416 A HA -0.189 4.131 4.320 0.001 0.000 0.219 1416 A C 2.275 179.779 177.584 -0.133 0.000 1.169 1416 A CA 1.726 53.682 52.037 -0.135 0.000 0.635 1416 A CB -0.649 18.345 19.000 -0.009 0.000 0.810 1416 A HN 0.493 nan 8.150 nan 0.000 0.446 1417 K N -0.440 119.914 120.400 -0.078 0.000 2.097 1417 K HA 0.012 4.332 4.320 0.001 0.000 0.205 1417 K C 1.838 178.382 176.600 -0.094 0.000 1.050 1417 K CA 1.078 57.322 56.287 -0.071 0.000 0.938 1417 K CB -0.331 32.139 32.500 -0.051 0.000 0.718 1417 K HN 0.473 nan 8.250 nan 0.000 0.442 1418 L N 0.950 122.105 121.223 -0.113 0.000 1.994 1418 L HA -0.192 4.148 4.340 0.001 0.000 0.208 1418 L C 2.232 179.018 176.870 -0.140 0.000 1.071 1418 L CA 1.203 55.979 54.840 -0.107 0.000 0.745 1418 L CB -0.531 41.480 42.059 -0.080 0.000 0.892 1418 L HN 0.181 nan 8.230 nan 0.000 0.431 1419 L N -0.296 120.788 121.223 -0.232 0.000 2.447 1419 L HA -0.217 4.124 4.340 0.001 0.000 0.225 1419 L C 2.310 179.112 176.870 -0.114 0.000 1.148 1419 L CA 0.716 55.444 54.840 -0.187 0.000 0.808 1419 L CB -0.424 41.472 42.059 -0.272 0.000 0.928 1419 L HN 0.362 nan 8.230 nan 0.000 0.448 1420 L N -0.827 120.333 121.223 -0.105 0.000 2.395 1420 L HA -0.100 4.240 4.340 0.001 0.000 0.218 1420 L C 2.497 179.326 176.870 -0.069 0.000 1.130 1420 L CA 0.229 55.023 54.840 -0.076 0.000 0.826 1420 L CB -0.192 41.827 42.059 -0.067 0.000 0.941 1420 L HN 0.170 nan 8.230 nan 0.000 0.451 1421 R N -0.039 120.416 120.500 -0.076 0.000 2.193 1421 R HA -0.008 4.333 4.340 0.001 0.000 0.213 1421 R C 2.030 178.283 176.300 -0.077 0.000 1.055 1421 R CA 0.855 56.909 56.100 -0.077 0.000 0.995 1421 R CB -0.521 29.732 30.300 -0.079 0.000 0.893 1421 R HN 0.277 nan 8.270 nan 0.000 0.459 1422 L N 0.388 121.571 121.223 -0.068 0.000 2.012 1422 L HA -0.141 4.200 4.340 0.001 0.000 0.210 1422 L C -0.609 176.228 176.870 -0.056 0.000 1.073 1422 L CA 1.591 56.395 54.840 -0.059 0.000 0.748 1422 L CB -1.442 40.598 42.059 -0.032 0.000 0.891 1422 L HN 0.135 nan 8.230 nan 0.000 0.431 1423 P HA -0.169 nan 4.420 nan 0.000 0.216 1423 P C 1.458 178.725 177.300 -0.055 0.000 1.150 1423 P CA 1.755 64.828 63.100 -0.045 0.000 0.837 1423 P CB 0.000 31.677 31.700 -0.039 0.000 0.786 1424 A N -0.798 121.984 122.820 -0.063 0.000 1.898 1424 A HA -0.163 4.158 4.320 0.001 0.000 0.216 1424 A C 2.135 179.667 177.584 -0.087 0.000 1.181 1424 A CA 1.341 53.336 52.037 -0.070 0.000 0.620 1424 A CB -1.634 17.322 19.000 -0.073 0.000 0.819 1424 A HN 0.135 nan 8.150 nan 0.000 0.442 1425 L N -0.307 120.856 121.223 -0.101 0.000 2.017 1425 L HA -0.127 4.213 4.340 0.001 0.000 0.208 1425 L C 2.434 179.233 176.870 -0.117 0.000 1.073 1425 L CA 2.454 57.218 54.840 -0.127 0.000 0.745 1425 L CB -0.640 41.337 42.059 -0.136 0.000 0.894 1425 L HN 0.399 nan 8.230 nan 0.000 0.432 1426 R N -0.667 119.776 120.500 -0.093 0.000 2.083 1426 R HA -0.172 4.168 4.340 0.001 0.000 0.237 1426 R C 2.607 178.860 176.300 -0.078 0.000 1.137 1426 R CA 2.020 58.071 56.100 -0.083 0.000 0.951 1426 R CB -1.114 29.151 30.300 -0.058 0.000 0.851 1426 R HN 0.535 nan 8.270 nan 0.000 0.434 1427 S N -0.560 115.099 115.700 -0.068 0.000 2.355 1427 S HA -0.036 4.435 4.470 0.001 0.000 0.222 1427 S C 1.982 176.546 174.600 -0.060 0.000 1.031 1427 S CA 1.368 59.533 58.200 -0.058 0.000 0.993 1427 S CB -0.267 62.903 63.200 -0.049 0.000 0.859 1427 S HN 0.399 nan 8.310 nan 0.000 0.453 1428 I N 1.273 121.800 120.570 -0.073 0.000 2.226 1428 I HA -0.104 4.066 4.170 0.001 0.000 0.245 1428 I C 2.691 178.761 176.117 -0.080 0.000 1.100 1428 I CA 1.188 62.445 61.300 -0.072 0.000 1.374 1428 I CB -1.001 36.942 38.000 -0.096 0.000 1.057 1428 I HN 0.471 nan 8.210 nan 0.000 0.413 1429 G N 1.084 109.816 108.800 -0.114 0.000 2.418 1429 G HA2 -0.204 3.757 3.960 0.001 0.000 0.217 1429 G HA3 -0.204 3.757 3.960 0.001 0.000 0.217 1429 G C 1.738 176.564 174.900 -0.123 0.000 1.158 1429 G CA 0.448 45.457 45.100 -0.151 0.000 0.771 1429 G HN 0.256 nan 8.290 nan 0.000 0.545 1430 L N -0.119 121.051 121.223 -0.089 0.000 2.046 1430 L HA -0.027 4.313 4.340 0.001 0.000 0.208 1430 L C 2.785 179.634 176.870 -0.036 0.000 1.077 1430 L CA 1.505 56.307 54.840 -0.065 0.000 0.747 1430 L CB -0.219 41.806 42.059 -0.056 0.000 0.896 1430 L HN 0.191 nan 8.230 nan 0.000 0.432 1431 K N -0.492 119.898 120.400 -0.016 0.000 2.147 1431 K HA -0.157 4.164 4.320 0.001 0.000 0.205 1431 K C 2.048 178.743 176.600 0.159 0.000 1.049 1431 K CA 1.439 57.752 56.287 0.044 0.000 0.936 1431 K CB -0.295 32.243 32.500 0.063 0.000 0.722 1431 K HN 0.299 nan 8.250 nan 0.000 0.446 1432 C N 0.168 119.515 119.300 0.077 0.000 2.450 1432 C HA 0.070 4.530 4.460 0.001 0.000 0.279 1432 C C 2.307 177.353 174.990 0.093 0.000 1.335 1432 C CA 0.213 59.282 59.018 0.085 0.000 1.749 1432 C CB -0.823 26.917 27.740 0.000 0.000 1.963 1432 C HN 0.477 nan 8.230 nan 0.000 0.501 1433 L N 0.594 121.842 121.223 0.042 0.000 2.083 1433 L HA -0.158 4.182 4.340 0.001 0.000 0.209 1433 L C 2.612 179.543 176.870 0.102 0.000 1.083 1433 L CA 1.532 56.425 54.840 0.088 0.000 0.752 1433 L CB -0.684 41.407 42.059 0.055 0.000 0.899 1433 L HN 0.463 nan 8.230 nan 0.000 0.433 1434 E N -0.838 119.383 120.200 0.035 0.000 2.047 1434 E HA -0.211 4.139 4.350 0.001 0.000 0.191 1434 E C 2.163 178.735 176.600 -0.047 0.000 0.987 1434 E CA 0.967 57.350 56.400 -0.028 0.000 0.799 1434 E CB -0.088 29.528 29.700 -0.141 0.000 0.752 1434 E HN 0.541 nan 8.360 nan 0.000 0.449 1435 H N 0.495 119.477 119.070 -0.148 0.000 2.352 1435 H HA -0.131 4.425 4.556 0.001 0.000 0.299 1435 H C 2.382 177.298 175.328 -0.687 0.000 1.097 1435 H CA 1.093 56.899 56.048 -0.403 0.000 1.311 1435 H CB -0.095 29.452 29.762 -0.359 0.000 1.377 1435 H HN 0.172 nan 8.280 nan 0.000 0.504 1436 L N -0.327 120.817 121.223 -0.131 0.000 2.046 1436 L HA -0.195 4.145 4.340 0.001 0.000 0.208 1436 L C 2.557 179.489 176.870 0.102 0.000 1.077 1436 L CA 1.003 55.864 54.840 0.034 0.000 0.747 1436 L CB -0.458 41.742 42.059 0.234 0.000 0.896 1436 L HN 0.141 nan 8.230 nan 0.000 0.432 1437 F N 0.037 119.993 119.950 0.009 0.000 2.084 1437 F HA -0.298 4.229 4.527 0.001 0.000 0.296 1437 F C 2.373 178.201 175.800 0.048 0.000 1.111 1437 F CA 1.381 59.408 58.000 0.047 0.000 1.224 1437 F CB -0.356 38.672 39.000 0.046 0.000 0.991 1437 F HN -0.056 nan 8.300 nan 0.000 0.471 1438 F N 0.647 120.651 119.950 0.089 0.000 2.087 1438 F HA -0.303 4.225 4.527 0.000 0.000 0.299 1438 F C 2.059 177.857 175.800 -0.003 0.000 1.100 1438 F CA 1.841 59.834 58.000 -0.012 0.000 1.226 1438 F CB -1.069 37.830 39.000 -0.169 0.000 0.983 1438 F HN 0.058 nan 8.300 nan 0.000 0.479 1439 F N 0.126 120.119 119.950 0.071 0.000 2.126 1439 F HA -0.261 4.266 4.527 0.001 0.000 0.299 1439 F C 2.603 178.301 175.800 -0.169 0.000 1.096 1439 F CA 1.388 59.350 58.000 -0.065 0.000 1.255 1439 F CB -0.548 38.483 39.000 0.050 0.000 0.997 1439 F HN -0.069 nan 8.300 nan 0.000 0.479 1440 K N 0.687 121.085 120.400 -0.003 0.000 2.155 1440 K HA -0.175 4.146 4.320 0.001 0.000 0.203 1440 K C 2.058 178.510 176.600 -0.246 0.000 1.052 1440 K CA 0.724 56.927 56.287 -0.139 0.000 0.948 1440 K CB -0.213 32.156 32.500 -0.219 0.000 0.728 1440 K HN 0.174 nan 8.250 nan 0.000 0.448 1441 L N 2.010 123.027 121.223 -0.343 0.000 2.012 1441 L HA -0.135 4.205 4.340 0.001 0.000 0.210 1441 L C 1.852 178.567 176.870 -0.258 0.000 1.073 1441 L CA 1.678 56.335 54.840 -0.304 0.000 0.748 1441 L CB -0.344 41.594 42.059 -0.202 0.000 0.891 1441 L HN 0.329 nan 8.230 nan 0.000 0.431 1442 I N -3.640 116.719 120.570 -0.351 0.000 3.749 1442 I HA 0.372 4.543 4.170 0.001 0.000 0.314 1442 I C 1.371 177.391 176.117 -0.162 0.000 1.267 1442 I CA 0.515 61.644 61.300 -0.285 0.000 1.169 1442 I CB -0.827 36.929 38.000 -0.407 0.000 1.009 1442 I HN 0.368 nan 8.210 nan 0.000 0.444 1443 G N 2.002 110.722 108.800 -0.133 0.000 2.179 1443 G HA2 -0.336 3.625 3.960 0.001 0.000 0.260 1443 G HA3 -0.336 3.625 3.960 0.001 0.000 0.260 1443 G C 0.188 175.043 174.900 -0.074 0.000 0.977 1443 G CA 0.469 45.514 45.100 -0.092 0.000 0.641 1443 G HN 0.576 nan 8.290 nan 0.000 0.533 1444 D N 1.057 121.415 120.400 -0.069 0.000 2.895 1444 D HA 0.375 5.016 4.640 0.001 0.000 0.258 1444 D C 0.992 177.263 176.300 -0.048 0.000 1.311 1444 D CA 0.611 54.569 54.000 -0.070 0.000 0.843 1444 D CB -0.168 40.576 40.800 -0.093 0.000 1.055 1444 D HN 0.271 nan 8.370 nan 0.000 0.486 1445 T N 0.423 114.958 114.554 -0.032 0.000 2.901 1445 T HA 0.224 4.574 4.350 0.001 0.000 0.301 1445 T C -2.161 172.524 174.700 -0.026 0.000 1.012 1445 T CA -1.291 60.807 62.100 -0.004 0.000 1.135 1445 T CB 1.098 69.946 68.868 -0.033 0.000 0.936 1445 T HN 0.056 nan 8.240 nan 0.000 0.539 1446 P HA 0.267 nan 4.420 nan 0.000 0.232 1446 P C -0.423 176.848 177.300 -0.049 0.000 1.814 1446 P CA -0.521 62.559 63.100 -0.033 0.000 1.085 1446 P CB -0.238 31.456 31.700 -0.010 0.000 1.901 1447 I N 3.944 124.477 120.570 -0.062 0.000 2.349 1447 I HA 0.016 4.186 4.170 0.001 0.000 0.302 1447 I C 0.426 176.478 176.117 -0.107 0.000 1.180 1447 I CA 0.809 62.060 61.300 -0.082 0.000 1.405 1447 I CB -1.098 36.860 38.000 -0.071 0.000 1.474 1447 I HN 0.429 nan 8.210 nan 0.000 0.632 1448 D N 0.865 121.178 120.400 -0.146 0.000 3.531 1448 D HA -0.085 4.556 4.640 0.001 0.000 0.443 1448 D C 0.304 176.467 176.300 -0.229 0.000 0.722 1448 D CA -0.170 53.727 54.000 -0.172 0.000 0.931 1448 D CB -0.170 40.562 40.800 -0.114 0.000 1.666 1448 D HN 0.382 nan 8.370 nan 0.000 0.244 1449 T N -3.424 110.990 114.554 -0.232 0.000 2.807 1449 T HA 0.639 4.990 4.350 0.001 0.000 0.277 1449 T C -0.089 174.393 174.700 -0.363 0.000 1.006 1449 T CA -0.802 61.166 62.100 -0.220 0.000 1.006 1449 T CB 1.134 69.968 68.868 -0.056 0.000 1.274 1449 T HN -0.022 nan 8.240 nan 0.000 0.569 1450 F N -0.508 119.422 119.950 -0.034 0.000 2.706 1450 F HA 0.396 4.923 4.527 0.001 0.000 0.308 1450 F C 1.910 177.642 175.800 -0.113 0.000 1.095 1450 F CA -0.397 57.567 58.000 -0.061 0.000 1.244 1450 F CB 0.019 38.984 39.000 -0.058 0.000 1.063 1450 F HN 0.315 nan 8.300 nan 0.000 0.582 1451 L N -0.357 120.892 121.223 0.043 0.000 2.043 1451 L HA -0.262 4.079 4.340 0.001 0.000 0.212 1451 L C 2.324 179.191 176.870 -0.005 0.000 1.075 1451 L CA 1.071 55.884 54.840 -0.045 0.000 0.752 1451 L CB -0.514 41.604 42.059 0.098 0.000 0.891 1451 L HN 0.184 nan 8.230 nan 0.000 0.432 1452 M N -0.840 118.786 119.600 0.044 0.000 2.374 1452 M HA -0.151 4.329 4.480 0.001 0.000 0.264 1452 M C 1.927 178.258 176.300 0.051 0.000 1.067 1452 M CA 1.336 56.674 55.300 0.063 0.000 1.103 1452 M CB -1.034 31.589 32.600 0.038 0.000 1.402 1452 M HN 0.170 nan 8.290 nan 0.000 0.444 1453 E N 0.205 120.426 120.200 0.036 0.000 2.107 1453 E HA -0.007 4.344 4.350 0.001 0.000 0.191 1453 E C 1.898 178.498 176.600 -0.000 0.000 0.982 1453 E CA 0.842 57.266 56.400 0.040 0.000 0.809 1453 E CB -0.157 29.593 29.700 0.084 0.000 0.756 1453 E HN 0.310 nan 8.360 nan 0.000 0.459 1454 M N -0.077 119.465 119.600 -0.097 0.000 2.632 1454 M HA -0.036 4.444 4.480 0.001 0.000 0.256 1454 M C 1.469 177.825 176.300 0.092 0.000 1.080 1454 M CA 1.038 56.233 55.300 -0.175 0.000 1.084 1454 M CB -0.457 31.680 32.600 -0.771 0.000 1.439 1454 M HN 0.149 nan 8.290 nan 0.000 0.509 1455 L N -0.663 120.646 121.223 0.142 0.000 2.446 1455 L HA 0.050 4.391 4.340 0.001 0.000 0.219 1455 L C 0.995 177.969 176.870 0.172 0.000 1.116 1455 L CA -0.030 54.943 54.840 0.221 0.000 0.844 1455 L CB -0.080 42.127 42.059 0.246 0.000 0.970 1455 L HN 0.182 nan 8.230 nan 0.000 0.457 1456 E N 1.413 121.686 120.200 0.122 0.000 2.437 1456 E HA 0.101 4.451 4.350 0.001 0.000 0.263 1456 E C 0.165 176.824 176.600 0.099 0.000 1.030 1456 E CA 0.025 56.486 56.400 0.103 0.000 0.934 1456 E CB 0.975 30.719 29.700 0.073 0.000 0.943 1456 E HN 0.119 nan 8.360 nan 0.000 0.444 1457 A N 4.970 127.843 122.820 0.088 0.000 2.511 1457 A HA 0.222 4.542 4.320 0.001 0.000 0.242 1457 A C -1.259 176.364 177.584 0.065 0.000 1.069 1457 A CA -1.021 51.061 52.037 0.075 0.000 0.763 1457 A CB -0.578 18.459 19.000 0.062 0.000 1.001 1457 A HN 0.440 nan 8.150 nan 0.000 0.498 1458 P HA 0.000 nan 4.420 nan 0.000 0.216 1458 P CA 0.000 63.134 63.100 0.056 0.000 0.800 1458 P CB 0.000 31.735 31.700 0.058 0.000 0.726