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 3fk2_1_A DATA FIRST_RESID 1242 DATA SEQUENCE WESNYFGVPL TTVVTPEKPI PIFIERCIEY IEATGLSTEG IYRVSGNKSE DATA SEQUENCE MESLQRQFDQ DHNLDLAEKD FTVNTVAGAM KSFFSELPDP LVPYNMQIDL DATA SEQUENCE VEAHKINDRE QKLHALKEVL KKFPKENHEV FKYVISHLNK VSHNNKVNLM DATA SEQUENCE TSENLSICFW PTLMRPDFST MDALTATRTY QTIIELFIQQ CPFFFY 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 1242 W HA 0.000 nan 4.660 nan 0.000 0.303 1242 W C 0.000 176.528 176.519 0.015 0.000 1.175 1242 W CA 0.000 57.347 57.345 0.004 0.000 1.226 1242 W CB 0.000 29.461 29.460 0.002 0.000 1.126 1243 E N 0.479 120.756 120.200 0.129 0.000 2.227 1243 E HA 0.723 5.076 4.350 0.004 0.000 0.268 1243 E C -0.860 175.775 176.600 0.059 0.000 0.990 1243 E CA -0.487 55.895 56.400 -0.029 0.000 0.856 1243 E CB 2.233 31.958 29.700 0.042 0.000 1.159 1243 E HN 0.834 nan 8.360 nan 0.000 0.401 1244 S N -1.225 114.459 115.700 -0.026 0.000 2.537 1244 S HA 0.314 4.787 4.470 0.004 0.000 0.271 1244 S C 0.087 174.751 174.600 0.108 0.000 1.148 1244 S CA 0.092 58.374 58.200 0.136 0.000 0.868 1244 S CB 0.888 64.168 63.200 0.134 0.000 1.115 1244 S HN 0.825 nan 8.310 nan 0.000 0.461 1245 N N 1.935 120.744 118.700 0.180 0.000 2.422 1245 N HA 0.092 4.835 4.740 0.004 0.000 0.181 1245 N C 1.105 176.702 175.510 0.145 0.000 1.080 1245 N CA 0.257 53.389 53.050 0.136 0.000 0.893 1245 N CB -0.062 38.516 38.487 0.152 0.000 0.973 1245 N HN 0.585 nan 8.380 nan 0.000 0.456 1246 Y N -0.367 119.944 120.300 0.018 0.000 2.506 1246 Y HA 0.396 4.948 4.550 0.004 0.000 0.287 1246 Y C -0.289 175.429 175.900 -0.305 0.000 1.147 1246 Y CA -0.458 57.547 58.100 -0.159 0.000 1.241 1246 Y CB 0.479 38.769 38.460 -0.283 0.000 1.279 1246 Y HN -0.151 nan 8.280 nan 0.000 0.527 1247 F N 0.516 120.524 119.950 0.095 0.000 2.379 1247 F HA 0.460 4.990 4.527 0.005 0.000 0.332 1247 F C 1.334 176.989 175.800 -0.243 0.000 1.096 1247 F CA 0.090 58.026 58.000 -0.106 0.000 1.105 1247 F CB 1.277 40.225 39.000 -0.087 0.000 1.189 1247 F HN 0.217 nan 8.300 nan 0.000 0.515 1248 G N 0.972 109.691 108.800 -0.135 0.000 2.155 1248 G HA2 -0.177 3.786 3.960 0.004 0.000 0.257 1248 G HA3 -0.177 3.786 3.960 0.004 0.000 0.257 1248 G C -0.333 174.464 174.900 -0.172 0.000 0.983 1248 G CA 0.138 45.129 45.100 -0.181 0.000 0.676 1248 G HN 1.062 nan 8.290 nan 0.000 0.528 1249 V N -3.046 116.751 119.914 -0.195 0.000 2.769 1249 V HA 0.907 5.030 4.120 0.004 0.000 0.312 1249 V C -1.890 174.097 176.094 -0.180 0.000 1.058 1249 V CA -2.808 59.396 62.300 -0.160 0.000 0.952 1249 V CB 1.781 33.525 31.823 -0.133 0.000 1.019 1249 V HN 0.005 nan 8.190 nan 0.000 0.445 1250 P HA -0.000 nan 4.420 nan 0.000 0.266 1250 P C 0.626 177.861 177.300 -0.108 0.000 1.186 1250 P CA 0.110 63.147 63.100 -0.106 0.000 0.767 1250 P CB 0.407 32.065 31.700 -0.070 0.000 0.820 1251 L N 3.738 124.914 121.223 -0.078 0.000 2.046 1251 L HA -0.164 4.178 4.340 0.004 0.000 0.208 1251 L C 2.099 178.959 176.870 -0.016 0.000 1.077 1251 L CA 2.671 57.493 54.840 -0.029 0.000 0.747 1251 L CB -1.728 40.346 42.059 0.026 0.000 0.896 1251 L HN 0.503 nan 8.230 nan 0.000 0.432 1252 T N -5.316 109.228 114.554 -0.017 0.000 2.929 1252 T HA -0.171 4.182 4.350 0.004 0.000 0.271 1252 T C 1.748 176.438 174.700 -0.016 0.000 1.085 1252 T CA 1.635 63.731 62.100 -0.007 0.000 1.125 1252 T CB -1.074 67.791 68.868 -0.004 0.000 0.874 1252 T HN 0.344 nan 8.240 nan 0.000 0.494 1253 T N 1.917 116.447 114.554 -0.040 0.000 2.915 1253 T HA 0.027 4.379 4.350 0.004 0.000 0.269 1253 T C 1.661 176.334 174.700 -0.046 0.000 1.071 1253 T CA 1.331 63.406 62.100 -0.041 0.000 1.132 1253 T CB -0.278 68.553 68.868 -0.062 0.000 0.878 1253 T HN 0.598 nan 8.240 nan 0.000 0.479 1254 V N -0.587 119.274 119.914 -0.089 0.000 3.214 1254 V HA 0.565 4.688 4.120 0.004 0.000 0.330 1254 V C 0.103 176.186 176.094 -0.019 0.000 1.403 1254 V CA -0.667 61.566 62.300 -0.113 0.000 1.143 1254 V CB -0.385 31.146 31.823 -0.488 0.000 1.098 1254 V HN 0.226 nan 8.190 nan 0.000 0.463 1255 V N -2.231 117.684 119.914 0.003 0.000 3.049 1255 V HA 0.973 5.095 4.120 0.004 0.000 0.309 1255 V C -0.379 175.729 176.094 0.024 0.000 1.148 1255 V CA 0.291 62.602 62.300 0.018 0.000 0.990 1255 V CB 1.562 33.396 31.823 0.018 0.000 1.039 1255 V HN 0.547 nan 8.190 nan 0.000 0.430 1256 T N -0.428 114.141 114.554 0.025 0.000 2.930 1256 T HA 0.717 5.070 4.350 0.004 0.000 0.290 1256 T C -2.335 172.381 174.700 0.026 0.000 1.052 1256 T CA -1.959 60.156 62.100 0.026 0.000 1.017 1256 T CB 1.972 70.856 68.868 0.027 0.000 1.137 1256 T HN 0.507 nan 8.240 nan 0.000 0.511 1257 P HA 0.077 nan 4.420 nan 0.000 0.226 1257 P C 0.700 178.017 177.300 0.029 0.000 1.153 1257 P CA 0.745 63.863 63.100 0.031 0.000 0.777 1257 P CB 0.105 31.822 31.700 0.029 0.000 0.794 1258 E N -0.626 119.588 120.200 0.024 0.000 2.276 1258 E HA 0.094 4.447 4.350 0.004 0.000 0.193 1258 E C 1.202 177.813 176.600 0.017 0.000 0.983 1258 E CA 0.816 57.229 56.400 0.022 0.000 0.861 1258 E CB -0.124 29.588 29.700 0.020 0.000 0.817 1258 E HN 0.089 nan 8.360 nan 0.000 0.485 1259 K N 1.232 121.640 120.400 0.015 0.000 2.753 1259 K HA 0.286 4.608 4.320 0.004 0.000 0.185 1259 K C -2.613 173.982 176.600 -0.008 0.000 1.071 1259 K CA -1.341 54.947 56.287 0.003 0.000 0.999 1259 K CB 0.383 32.889 32.500 0.010 0.000 1.244 1259 K HN -0.113 nan 8.250 nan 0.000 0.594 1260 P HA 0.057 nan 4.420 nan 0.000 0.229 1260 P C 0.113 177.387 177.300 -0.044 0.000 1.160 1260 P CA 0.224 63.321 63.100 -0.004 0.000 0.777 1260 P CB 0.049 31.762 31.700 0.022 0.000 0.814 1261 I N 1.221 121.714 120.570 -0.128 0.000 2.342 1261 I HA 0.261 4.433 4.170 0.004 0.000 0.291 1261 I C -2.329 173.676 176.117 -0.187 0.000 1.010 1261 I CA -3.840 57.309 61.300 -0.251 0.000 1.308 1261 I CB 0.078 37.715 38.000 -0.604 0.000 1.400 1261 I HN -0.244 nan 8.210 nan 0.000 0.488 1262 P HA 0.056 nan 4.420 nan 0.000 0.262 1262 P C 1.049 178.269 177.300 -0.134 0.000 1.182 1262 P CA -0.005 63.007 63.100 -0.146 0.000 0.761 1262 P CB 0.694 32.167 31.700 -0.378 0.000 0.795 1263 I N 3.327 123.914 120.570 0.030 0.000 2.248 1263 I HA -0.246 3.926 4.170 0.004 0.000 0.248 1263 I C 1.969 178.052 176.117 -0.056 0.000 1.107 1263 I CA 1.583 62.904 61.300 0.034 0.000 1.373 1263 I CB -0.926 37.167 38.000 0.153 0.000 1.055 1263 I HN 0.368 nan 8.210 nan 0.000 0.418 1264 F N 0.773 120.496 119.950 -0.378 0.000 2.126 1264 F HA -0.238 4.292 4.527 0.004 0.000 0.299 1264 F C 2.304 177.807 175.800 -0.495 0.000 1.096 1264 F CA 1.535 59.056 58.000 -0.797 0.000 1.255 1264 F CB -0.157 38.184 39.000 -1.098 0.000 0.997 1264 F HN -0.054 nan 8.300 nan 0.000 0.479 1265 I N 0.484 120.753 120.570 -0.502 0.000 2.252 1265 I HA -0.235 3.937 4.170 0.004 0.000 0.245 1265 I C 2.340 178.311 176.117 -0.244 0.000 1.102 1265 I CA 1.304 62.358 61.300 -0.410 0.000 1.385 1265 I CB -1.454 36.364 38.000 -0.303 0.000 1.064 1265 I HN 0.271 nan 8.210 nan 0.000 0.414 1266 E N 0.299 120.359 120.200 -0.233 0.000 2.038 1266 E HA -0.235 4.117 4.350 0.004 0.000 0.195 1266 E C 2.347 178.897 176.600 -0.082 0.000 1.000 1266 E CA 1.118 57.457 56.400 -0.101 0.000 0.803 1266 E CB 0.036 29.671 29.700 -0.109 0.000 0.750 1266 E HN 0.264 nan 8.360 nan 0.000 0.448 1267 R N 0.230 120.637 120.500 -0.155 0.000 2.094 1267 R HA -0.156 4.187 4.340 0.004 0.000 0.239 1267 R C 2.434 178.642 176.300 -0.154 0.000 1.137 1267 R CA 1.248 57.271 56.100 -0.128 0.000 0.943 1267 R CB -1.328 28.883 30.300 -0.149 0.000 0.850 1267 R HN 0.350 nan 8.270 nan 0.000 0.433 1268 C N 0.327 119.420 119.300 -0.344 0.000 2.453 1268 C HA 0.032 4.495 4.460 0.004 0.000 0.277 1268 C C 2.838 177.777 174.990 -0.085 0.000 1.262 1268 C CA 0.174 59.034 59.018 -0.264 0.000 1.718 1268 C CB -0.897 26.560 27.740 -0.472 0.000 2.031 1268 C HN 0.391 nan 8.230 nan 0.000 0.480 1269 I N 0.788 121.274 120.570 -0.139 0.000 2.252 1269 I HA -0.180 3.993 4.170 0.004 0.000 0.245 1269 I C 2.553 178.573 176.117 -0.162 0.000 1.102 1269 I CA 1.574 62.707 61.300 -0.279 0.000 1.385 1269 I CB -0.636 37.129 38.000 -0.391 0.000 1.064 1269 I HN 0.473 nan 8.210 nan 0.000 0.414 1270 E N -0.076 120.100 120.200 -0.039 0.000 2.150 1270 E HA -0.263 4.089 4.350 0.004 0.000 0.193 1270 E C 1.994 178.626 176.600 0.053 0.000 0.985 1270 E CA 1.260 57.669 56.400 0.015 0.000 0.814 1270 E CB -0.106 29.623 29.700 0.049 0.000 0.752 1270 E HN 0.498 nan 8.360 nan 0.000 0.466 1271 Y N 0.809 121.080 120.300 -0.047 0.000 2.243 1271 Y HA -0.084 4.469 4.550 0.004 0.000 0.293 1271 Y C 1.899 177.792 175.900 -0.013 0.000 1.124 1271 Y CA 1.058 59.145 58.100 -0.023 0.000 1.159 1271 Y CB 0.018 38.461 38.460 -0.028 0.000 1.008 1271 Y HN -0.082 nan 8.280 nan 0.000 0.527 1272 I N 0.249 120.839 120.570 0.032 0.000 2.315 1272 I HA -0.259 3.913 4.170 0.004 0.000 0.248 1272 I C 2.136 178.241 176.117 -0.019 0.000 1.117 1272 I CA 1.563 62.853 61.300 -0.017 0.000 1.404 1272 I CB -0.280 37.775 38.000 0.091 0.000 1.071 1272 I HN 0.285 nan 8.210 nan 0.000 0.419 1273 E N 0.534 120.747 120.200 0.023 0.000 2.150 1273 E HA -0.145 4.208 4.350 0.004 0.000 0.193 1273 E C 2.118 178.698 176.600 -0.034 0.000 0.985 1273 E CA 1.110 57.535 56.400 0.041 0.000 0.814 1273 E CB -0.048 29.687 29.700 0.058 0.000 0.752 1273 E HN 0.505 nan 8.360 nan 0.000 0.466 1274 A N -0.140 122.623 122.820 -0.095 0.000 2.195 1274 A HA 0.104 4.427 4.320 0.004 0.000 0.210 1274 A C 1.965 179.430 177.584 -0.198 0.000 1.165 1274 A CA 1.418 53.384 52.037 -0.119 0.000 0.806 1274 A CB -0.105 18.837 19.000 -0.095 0.000 0.847 1274 A HN 0.329 nan 8.150 nan 0.000 0.482 1275 T N -3.067 111.309 114.554 -0.298 0.000 2.980 1275 T HA 0.423 4.776 4.350 0.004 0.000 0.252 1275 T C 1.381 175.963 174.700 -0.197 0.000 0.962 1275 T CA 1.061 62.960 62.100 -0.335 0.000 0.932 1275 T CB 0.170 68.608 68.868 -0.716 0.000 1.188 1275 T HN 0.515 nan 8.240 nan 0.000 0.500 1276 G N 0.312 109.019 108.800 -0.154 0.000 3.695 1276 G HA2 0.391 4.353 3.960 0.004 0.000 0.277 1276 G HA3 0.391 4.353 3.960 0.004 0.000 0.277 1276 G C 1.238 176.101 174.900 -0.061 0.000 1.001 1276 G CA -0.077 44.964 45.100 -0.098 0.000 0.837 1276 G HN 0.370 nan 8.290 nan 0.000 0.492 1277 L N 0.550 121.750 121.223 -0.040 0.000 2.450 1277 L HA -0.008 4.334 4.340 0.004 0.000 0.224 1277 L C 2.065 178.927 176.870 -0.014 0.000 1.149 1277 L CA 0.851 55.682 54.840 -0.016 0.000 0.816 1277 L CB 0.115 42.172 42.059 -0.003 0.000 0.932 1277 L HN 0.176 nan 8.230 nan 0.000 0.449 1278 S N -1.780 113.907 115.700 -0.021 0.000 2.559 1278 S HA 0.017 4.490 4.470 0.004 0.000 0.226 1278 S C 0.840 175.432 174.600 -0.014 0.000 1.000 1278 S CA -0.127 58.066 58.200 -0.012 0.000 0.948 1278 S CB 0.274 63.467 63.200 -0.012 0.000 0.870 1278 S HN 0.499 nan 8.310 nan 0.000 0.497 1279 T N 1.466 116.005 114.554 -0.025 0.000 2.779 1279 T HA 0.278 4.631 4.350 0.004 0.000 0.296 1279 T C -0.175 174.516 174.700 -0.015 0.000 0.938 1279 T CA -0.380 61.706 62.100 -0.024 0.000 1.119 1279 T CB 0.295 69.140 68.868 -0.038 0.000 0.891 1279 T HN 0.171 nan 8.240 nan 0.000 0.526 1280 E N 2.147 122.345 120.200 -0.004 0.000 2.452 1280 E HA 0.289 4.641 4.350 0.004 0.000 0.261 1280 E C 1.427 178.031 176.600 0.007 0.000 0.987 1280 E CA 0.843 57.246 56.400 0.006 0.000 0.926 1280 E CB 0.041 29.746 29.700 0.009 0.000 0.934 1280 E HN 1.126 nan 8.360 nan 0.000 0.452 1281 G N 3.966 112.778 108.800 0.020 0.000 2.203 1281 G HA2 -0.326 3.637 3.960 0.004 0.000 0.263 1281 G HA3 -0.326 3.637 3.960 0.004 0.000 0.263 1281 G C 0.404 175.320 174.900 0.027 0.000 1.012 1281 G CA 0.253 45.372 45.100 0.031 0.000 0.749 1281 G HN 0.641 nan 8.290 nan 0.000 0.512 1282 I N -0.630 119.938 120.570 -0.003 0.000 2.919 1282 I HA 0.103 4.276 4.170 0.004 0.000 0.303 1282 I C 1.758 177.887 176.117 0.020 0.000 1.221 1282 I CA 1.409 62.655 61.300 -0.089 0.000 1.444 1282 I CB 0.088 37.979 38.000 -0.182 0.000 1.331 1282 I HN 0.552 nan 8.210 nan 0.000 0.572 1283 Y N 2.661 122.999 120.300 0.062 0.000 3.707 1283 Y HA -0.399 4.154 4.550 0.005 0.000 0.395 1283 Y C 1.935 177.817 175.900 -0.030 0.000 1.233 1283 Y CA 1.498 59.621 58.100 0.038 0.000 2.151 1283 Y CB -1.256 37.295 38.460 0.152 0.000 0.880 1283 Y HN 0.656 nan 8.280 nan 0.000 0.464 1284 R N 1.291 121.869 120.500 0.130 0.000 2.066 1284 R HA 0.136 4.479 4.340 0.004 0.000 0.224 1284 R C 0.417 176.734 176.300 0.029 0.000 1.122 1284 R CA 1.000 57.137 56.100 0.062 0.000 0.974 1284 R CB 0.041 30.380 30.300 0.064 0.000 0.871 1284 R HN 0.036 nan 8.270 nan 0.000 0.435 1285 V N 1.972 121.902 119.914 0.026 0.000 2.585 1285 V HA -0.011 4.112 4.120 0.004 0.000 0.296 1285 V C 0.351 176.450 176.094 0.009 0.000 1.035 1285 V CA 0.235 62.543 62.300 0.013 0.000 1.084 1285 V CB 1.289 33.117 31.823 0.008 0.000 0.953 1285 V HN 0.263 nan 8.190 nan 0.000 0.483 1286 S N 3.534 119.237 115.700 0.006 0.000 2.586 1286 S HA 0.668 5.141 4.470 0.004 0.000 0.274 1286 S C 0.342 174.948 174.600 0.010 0.000 1.281 1286 S CA 0.028 58.231 58.200 0.005 0.000 1.035 1286 S CB 1.088 64.287 63.200 -0.001 0.000 0.962 1286 S HN 1.026 nan 8.310 nan 0.000 0.512 1287 G N 2.351 111.159 108.800 0.013 0.000 2.601 1287 G HA2 0.272 4.235 3.960 0.004 0.000 0.317 1287 G HA3 0.272 4.235 3.960 0.004 0.000 0.317 1287 G C -0.373 174.539 174.900 0.021 0.000 1.246 1287 G CA -0.767 44.344 45.100 0.019 0.000 1.012 1287 G HN 0.763 nan 8.290 nan 0.000 0.494 1288 N N 0.138 118.856 118.700 0.029 0.000 2.417 1288 N HA 0.062 4.804 4.740 0.004 0.000 0.272 1288 N C 1.652 177.176 175.510 0.024 0.000 1.304 1288 N CA 0.609 53.677 53.050 0.030 0.000 0.906 1288 N CB 1.162 39.675 38.487 0.044 0.000 1.135 1288 N HN 0.626 nan 8.380 nan 0.000 0.483 1289 K N 3.232 123.643 120.400 0.018 0.000 2.147 1289 K HA -0.159 4.163 4.320 0.004 0.000 0.205 1289 K C 2.356 178.965 176.600 0.014 0.000 1.049 1289 K CA 1.931 58.227 56.287 0.015 0.000 0.936 1289 K CB -1.255 31.255 32.500 0.017 0.000 0.722 1289 K HN 0.785 nan 8.250 nan 0.000 0.446 1290 S N 1.468 117.179 115.700 0.017 0.000 2.368 1290 S HA -0.153 4.320 4.470 0.004 0.000 0.224 1290 S C 2.141 176.753 174.600 0.019 0.000 1.029 1290 S CA 1.384 59.592 58.200 0.013 0.000 0.988 1290 S CB -0.110 63.100 63.200 0.017 0.000 0.838 1290 S HN 0.563 nan 8.310 nan 0.000 0.462 1291 E N 0.728 120.957 120.200 0.048 0.000 2.150 1291 E HA -0.061 4.292 4.350 0.004 0.000 0.193 1291 E C 2.012 178.614 176.600 0.004 0.000 0.985 1291 E CA 0.723 57.188 56.400 0.107 0.000 0.814 1291 E CB -0.326 29.470 29.700 0.160 0.000 0.752 1291 E HN 0.750 nan 8.360 nan 0.000 0.466 1292 M N -0.042 119.532 119.600 -0.043 0.000 2.160 1292 M HA -0.083 4.400 4.480 0.004 0.000 0.264 1292 M C 2.342 178.566 176.300 -0.126 0.000 1.073 1292 M CA 1.139 56.377 55.300 -0.103 0.000 1.142 1292 M CB -0.290 32.283 32.600 -0.045 0.000 1.358 1292 M HN -0.005 nan 8.290 nan 0.000 0.422 1293 E N 0.189 120.341 120.200 -0.080 0.000 2.130 1293 E HA -0.224 4.129 4.350 0.004 0.000 0.196 1293 E C 2.050 178.485 176.600 -0.275 0.000 0.998 1293 E CA 1.680 58.006 56.400 -0.123 0.000 0.806 1293 E CB 0.046 29.713 29.700 -0.055 0.000 0.738 1293 E HN 0.358 nan 8.360 nan 0.000 0.459 1294 S N 0.058 115.665 115.700 -0.153 0.000 2.343 1294 S HA -0.185 4.288 4.470 0.004 0.000 0.219 1294 S C 1.987 176.542 174.600 -0.074 0.000 1.033 1294 S CA 1.292 59.437 58.200 -0.091 0.000 1.014 1294 S CB -0.431 62.817 63.200 0.081 0.000 0.915 1294 S HN 0.361 nan 8.310 nan 0.000 0.435 1295 L N 1.754 122.886 121.223 -0.151 0.000 2.043 1295 L HA -0.103 4.240 4.340 0.004 0.000 0.212 1295 L C 2.409 179.219 176.870 -0.099 0.000 1.075 1295 L CA 2.085 56.752 54.840 -0.288 0.000 0.752 1295 L CB -1.291 40.285 42.059 -0.805 0.000 0.891 1295 L HN 0.437 nan 8.230 nan 0.000 0.432 1296 Q N -1.085 118.574 119.800 -0.235 0.000 2.046 1296 Q HA -0.172 4.170 4.340 0.004 0.000 0.200 1296 Q C 2.412 178.281 176.000 -0.217 0.000 0.975 1296 Q CA 1.620 57.193 55.803 -0.383 0.000 0.836 1296 Q CB -0.112 28.201 28.738 -0.707 0.000 0.896 1296 Q HN 0.469 nan 8.270 nan 0.000 0.428 1297 R N 0.247 120.432 120.500 -0.524 0.000 2.083 1297 R HA -0.171 4.172 4.340 0.004 0.000 0.237 1297 R C 2.252 178.462 176.300 -0.149 0.000 1.137 1297 R CA 1.609 57.354 56.100 -0.593 0.000 0.951 1297 R CB -0.190 29.680 30.300 -0.718 0.000 0.851 1297 R HN 0.428 nan 8.270 nan 0.000 0.434 1298 Q N -0.658 119.113 119.800 -0.047 0.000 2.124 1298 Q HA -0.179 4.164 4.340 0.004 0.000 0.202 1298 Q C 1.910 177.985 176.000 0.126 0.000 0.977 1298 Q CA 1.370 57.206 55.803 0.054 0.000 0.850 1298 Q CB -0.182 28.631 28.738 0.126 0.000 0.901 1298 Q HN 0.291 nan 8.270 nan 0.000 0.429 1299 F N 2.038 122.025 119.950 0.062 0.000 2.186 1299 F HA -0.181 4.349 4.527 0.004 0.000 0.299 1299 F C 1.819 177.688 175.800 0.115 0.000 1.090 1299 F CA 1.362 59.421 58.000 0.098 0.000 1.307 1299 F CB -0.040 39.048 39.000 0.148 0.000 1.019 1299 F HN -0.010 nan 8.300 nan 0.000 0.489 1300 D N 0.125 120.731 120.400 0.343 0.000 2.158 1300 D HA -0.206 4.437 4.640 0.004 0.000 0.197 1300 D C 2.107 178.498 176.300 0.152 0.000 0.995 1300 D CA 1.418 55.618 54.000 0.333 0.000 0.846 1300 D CB -0.156 40.915 40.800 0.451 0.000 0.941 1300 D HN 0.494 nan 8.370 nan 0.000 0.456 1301 Q N -0.298 119.536 119.800 0.057 0.000 1.990 1301 Q HA -0.045 4.298 4.340 0.004 0.000 0.200 1301 Q C 0.464 176.413 176.000 -0.085 0.000 0.980 1301 Q CA 1.125 56.923 55.803 -0.008 0.000 0.832 1301 Q CB 0.089 28.818 28.738 -0.014 0.000 0.897 1301 Q HN 0.445 nan 8.270 nan 0.000 0.427 1302 D N -1.551 118.781 120.400 -0.113 0.000 2.879 1302 D HA 0.063 4.706 4.640 0.004 0.000 0.236 1302 D C -0.281 175.848 176.300 -0.286 0.000 1.171 1302 D CA -0.493 53.392 54.000 -0.192 0.000 0.868 1302 D CB 1.132 41.849 40.800 -0.138 0.000 1.598 1302 D HN 0.025 nan 8.370 nan 0.000 0.497 1303 H N 1.951 120.663 119.070 -0.597 0.000 2.547 1303 H HA 0.132 4.690 4.556 0.004 0.000 0.266 1303 H C 0.476 175.552 175.328 -0.420 0.000 0.988 1303 H CA 0.298 55.789 56.048 -0.927 0.000 1.147 1303 H CB -0.223 29.148 29.762 -0.651 0.000 1.365 1303 H HN 0.503 nan 8.280 nan 0.000 0.589 1304 N N 0.235 118.863 118.700 -0.121 0.000 2.314 1304 N HA 0.039 4.782 4.740 0.004 0.000 0.200 1304 N C -0.109 175.405 175.510 0.008 0.000 1.135 1304 N CA -0.232 52.802 53.050 -0.028 0.000 0.835 1304 N CB 0.428 38.897 38.487 -0.030 0.000 0.989 1304 N HN 0.073 nan 8.380 nan 0.000 0.478 1305 L N 1.145 122.373 121.223 0.008 0.000 2.615 1305 L HA -0.077 4.266 4.340 0.004 0.000 0.284 1305 L C -0.036 176.893 176.870 0.098 0.000 1.237 1305 L CA 0.906 55.794 54.840 0.080 0.000 0.905 1305 L CB 0.339 42.507 42.059 0.183 0.000 1.149 1305 L HN 0.089 nan 8.230 nan 0.000 0.499 1306 D N 4.794 125.234 120.400 0.067 0.000 2.414 1306 D HA 0.160 4.802 4.640 0.004 0.000 0.232 1306 D C 1.027 177.341 176.300 0.022 0.000 1.070 1306 D CA -0.325 53.703 54.000 0.047 0.000 0.839 1306 D CB 1.002 41.826 40.800 0.040 0.000 1.079 1306 D HN 0.640 nan 8.370 nan 0.000 0.521 1307 L N 2.628 123.817 121.223 -0.057 0.000 2.275 1307 L HA -0.113 4.229 4.340 0.004 0.000 0.215 1307 L C 2.437 179.198 176.870 -0.182 0.000 1.119 1307 L CA 0.703 55.406 54.840 -0.228 0.000 0.790 1307 L CB -0.352 41.239 42.059 -0.780 0.000 0.919 1307 L HN 0.372 nan 8.230 nan 0.000 0.443 1308 A N 0.851 123.682 122.820 0.019 0.000 1.858 1308 A HA -0.222 4.100 4.320 0.004 0.000 0.216 1308 A C 2.322 179.947 177.584 0.069 0.000 1.190 1308 A CA 1.976 54.110 52.037 0.162 0.000 0.617 1308 A CB -0.822 18.276 19.000 0.163 0.000 0.827 1308 A HN 0.441 nan 8.150 nan 0.000 0.443 1309 E N -1.026 119.192 120.200 0.030 0.000 2.505 1309 E HA 0.267 4.619 4.350 0.004 0.000 0.197 1309 E C 1.265 177.838 176.600 -0.045 0.000 1.111 1309 E CA 1.533 57.934 56.400 0.000 0.000 0.887 1309 E CB -1.209 28.493 29.700 0.003 0.000 0.913 1309 E HN 0.870 nan 8.360 nan 0.000 0.517 1310 K N -1.403 118.951 120.400 -0.076 0.000 2.477 1310 K HA 0.495 4.818 4.320 0.004 0.000 0.208 1310 K C 0.974 177.345 176.600 -0.381 0.000 1.117 1310 K CA 1.333 57.488 56.287 -0.220 0.000 1.039 1310 K CB -1.140 31.249 32.500 -0.185 0.000 0.937 1310 K HN 1.209 nan 8.250 nan 0.000 0.570 1311 D N -0.170 120.127 120.400 -0.171 0.000 2.689 1311 D HA -0.145 4.498 4.640 0.004 0.000 0.237 1311 D C -0.142 176.064 176.300 -0.156 0.000 1.148 1311 D CA 0.955 54.885 54.000 -0.117 0.000 0.656 1311 D CB -2.758 37.970 40.800 -0.120 0.000 1.050 1311 D HN 0.642 nan 8.370 nan 0.000 0.426 1312 F N 0.234 120.189 119.950 0.009 0.000 2.394 1312 F HA 0.483 5.013 4.527 0.005 0.000 0.340 1312 F C 1.698 177.544 175.800 0.076 0.000 1.105 1312 F CA -0.457 57.549 58.000 0.010 0.000 1.124 1312 F CB 1.832 40.799 39.000 -0.054 0.000 1.145 1312 F HN 0.169 nan 8.300 nan 0.000 0.505 1313 T N 2.501 117.227 114.554 0.286 0.000 2.939 1313 T HA -0.077 4.275 4.350 0.004 0.000 0.319 1313 T C 1.160 175.981 174.700 0.201 0.000 1.082 1313 T CA -0.302 61.909 62.100 0.186 0.000 1.133 1313 T CB 1.334 70.278 68.868 0.127 0.000 1.019 1313 T HN 0.597 nan 8.240 nan 0.000 0.548 1314 V N 2.505 122.509 119.914 0.150 0.000 2.343 1314 V HA -0.181 3.941 4.120 0.004 0.000 0.247 1314 V C 2.173 178.293 176.094 0.043 0.000 1.051 1314 V CA 1.842 64.213 62.300 0.118 0.000 1.036 1314 V CB -0.540 31.294 31.823 0.018 0.000 0.654 1314 V HN 0.747 nan 8.190 nan 0.000 0.451 1315 N N -0.077 118.634 118.700 0.018 0.000 2.223 1315 N HA -0.132 4.611 4.740 0.004 0.000 0.185 1315 N C 1.810 177.328 175.510 0.012 0.000 1.016 1315 N CA 1.982 55.027 53.050 -0.010 0.000 0.863 1315 N CB -0.501 37.986 38.487 0.001 0.000 0.983 1315 N HN 0.536 nan 8.380 nan 0.000 0.429 1316 T N 0.714 115.292 114.554 0.040 0.000 2.777 1316 T HA -0.031 4.321 4.350 0.004 0.000 0.266 1316 T C 2.133 176.809 174.700 -0.040 0.000 1.040 1316 T CA 0.758 62.866 62.100 0.014 0.000 1.141 1316 T CB -0.131 68.773 68.868 0.060 0.000 0.868 1316 T HN -0.013 nan 8.240 nan 0.000 0.444 1317 V N 1.549 121.451 119.914 -0.019 0.000 2.453 1317 V HA -0.079 4.044 4.120 0.004 0.000 0.247 1317 V C 2.819 178.925 176.094 0.020 0.000 1.048 1317 V CA 1.435 63.707 62.300 -0.046 0.000 1.049 1317 V CB -1.134 30.713 31.823 0.040 0.000 0.672 1317 V HN 0.496 nan 8.190 nan 0.000 0.457 1318 A N 0.842 123.678 122.820 0.027 0.000 1.873 1318 A HA -0.066 4.256 4.320 0.004 0.000 0.215 1318 A C 2.436 180.145 177.584 0.208 0.000 1.186 1318 A CA 1.894 53.971 52.037 0.066 0.000 0.616 1318 A CB -1.273 17.558 19.000 -0.280 0.000 0.823 1318 A HN 0.502 nan 8.150 nan 0.000 0.442 1319 G N -0.690 108.174 108.800 0.106 0.000 2.432 1319 G HA2 0.042 4.004 3.960 0.004 0.000 0.219 1319 G HA3 0.042 4.004 3.960 0.004 0.000 0.219 1319 G C 1.629 176.599 174.900 0.118 0.000 1.135 1319 G CA 1.323 46.483 45.100 0.101 0.000 0.767 1319 G HN 0.807 nan 8.290 nan 0.000 0.550 1320 A N 0.177 123.060 122.820 0.105 0.000 2.014 1320 A HA 0.183 4.505 4.320 0.004 0.000 0.218 1320 A C 2.207 179.998 177.584 0.346 0.000 1.163 1320 A CA 1.578 53.714 52.037 0.165 0.000 0.652 1320 A CB -0.282 18.790 19.000 0.120 0.000 0.808 1320 A HN 0.364 nan 8.150 nan 0.000 0.449 1321 M N -0.267 119.489 119.600 0.261 0.000 2.156 1321 M HA -0.072 4.410 4.480 0.004 0.000 0.264 1321 M C 1.797 178.360 176.300 0.438 0.000 1.067 1321 M CA 1.698 57.174 55.300 0.293 0.000 1.131 1321 M CB -0.558 32.182 32.600 0.233 0.000 1.368 1321 M HN 0.338 nan 8.290 nan 0.000 0.416 1322 K N -0.476 120.161 120.400 0.396 0.000 2.057 1322 K HA -0.142 4.180 4.320 0.004 0.000 0.207 1322 K C 2.120 178.898 176.600 0.296 0.000 1.049 1322 K CA 1.671 58.166 56.287 0.345 0.000 0.931 1322 K CB -0.293 32.246 32.500 0.064 0.000 0.714 1322 K HN 0.325 nan 8.250 nan 0.000 0.440 1323 S N 0.698 116.528 115.700 0.217 0.000 2.383 1323 S HA -0.192 4.281 4.470 0.004 0.000 0.229 1323 S C 1.727 176.418 174.600 0.152 0.000 1.030 1323 S CA 1.162 59.442 58.200 0.134 0.000 1.002 1323 S CB -0.360 62.884 63.200 0.074 0.000 0.829 1323 S HN 0.366 nan 8.310 nan 0.000 0.467 1324 F N 1.028 121.042 119.950 0.106 0.000 2.126 1324 F HA -0.088 4.441 4.527 0.004 0.000 0.299 1324 F C 1.496 177.253 175.800 -0.072 0.000 1.096 1324 F CA 1.623 59.655 58.000 0.052 0.000 1.255 1324 F CB -0.458 38.569 39.000 0.043 0.000 0.997 1324 F HN 0.264 nan 8.300 nan 0.000 0.479 1325 F N 0.613 120.666 119.950 0.171 0.000 2.234 1325 F HA -0.076 4.454 4.527 0.004 0.000 0.296 1325 F C 2.801 178.552 175.800 -0.082 0.000 1.089 1325 F CA 1.266 59.280 58.000 0.023 0.000 1.343 1325 F CB -1.214 37.903 39.000 0.194 0.000 1.040 1325 F HN 0.047 nan 8.300 nan 0.000 0.498 1326 S N -0.898 114.874 115.700 0.119 0.000 2.522 1326 S HA -0.073 4.400 4.470 0.004 0.000 0.227 1326 S C 1.485 176.051 174.600 -0.056 0.000 0.986 1326 S CA 0.711 58.920 58.200 0.016 0.000 0.929 1326 S CB -0.422 62.781 63.200 0.005 0.000 0.769 1326 S HN 0.465 nan 8.310 nan 0.000 0.529 1327 E N 0.549 120.681 120.200 -0.113 0.000 2.400 1327 E HA 0.266 4.619 4.350 0.004 0.000 0.195 1327 E C -0.089 176.376 176.600 -0.225 0.000 1.012 1327 E CA -0.259 56.044 56.400 -0.162 0.000 0.875 1327 E CB 0.043 29.651 29.700 -0.154 0.000 0.859 1327 E HN 0.494 nan 8.360 nan 0.000 0.498 1328 L N 2.094 123.143 121.223 -0.290 0.000 2.525 1328 L HA -0.019 4.324 4.340 0.004 0.000 0.278 1328 L C -1.470 175.302 176.870 -0.164 0.000 1.218 1328 L CA -1.061 53.609 54.840 -0.284 0.000 0.878 1328 L CB 0.282 42.190 42.059 -0.251 0.000 1.127 1328 L HN -0.084 nan 8.230 nan 0.000 0.492 1329 P HA -0.124 nan 4.420 nan 0.000 0.216 1329 P C -0.470 176.791 177.300 -0.064 0.000 1.153 1329 P CA 1.394 64.438 63.100 -0.093 0.000 0.858 1329 P CB 0.209 31.857 31.700 -0.087 0.000 0.789 1330 D N -1.311 119.040 120.400 -0.081 0.000 2.481 1330 D HA 0.249 4.892 4.640 0.004 0.000 0.244 1330 D C -2.500 173.712 176.300 -0.147 0.000 1.057 1330 D CA -1.962 51.984 54.000 -0.090 0.000 0.848 1330 D CB 1.194 41.945 40.800 -0.083 0.000 1.388 1330 D HN -0.001 nan 8.370 nan 0.000 0.475 1331 P HA -0.023 nan 4.420 nan 0.000 0.269 1331 P C 1.059 178.226 177.300 -0.223 0.000 1.209 1331 P CA -0.548 62.394 63.100 -0.262 0.000 0.776 1331 P CB 1.258 32.663 31.700 -0.492 0.000 0.876 1332 L N 4.226 125.380 121.223 -0.116 0.000 2.013 1332 L HA -0.121 4.222 4.340 0.004 0.000 0.212 1332 L C 0.757 177.496 176.870 -0.219 0.000 1.073 1332 L CA 1.869 56.664 54.840 -0.076 0.000 0.753 1332 L CB -0.535 41.489 42.059 -0.058 0.000 0.890 1332 L HN 0.121 nan 8.230 nan 0.000 0.432 1333 V N 2.077 121.793 119.914 -0.329 0.000 2.353 1333 V HA 0.243 4.366 4.120 0.004 0.000 0.264 1333 V C -2.088 173.686 176.094 -0.533 0.000 1.049 1333 V CA -1.546 60.457 62.300 -0.496 0.000 0.896 1333 V CB 0.175 31.724 31.823 -0.456 0.000 1.025 1333 V HN 0.186 nan 8.190 nan 0.000 0.475 1334 P HA 0.092 nan 4.420 nan 0.000 0.269 1334 P C 0.185 177.252 177.300 -0.388 0.000 1.209 1334 P CA 0.001 62.821 63.100 -0.467 0.000 0.776 1334 P CB 0.468 31.939 31.700 -0.381 0.000 0.876 1335 Y N 1.602 121.805 120.300 -0.163 0.000 2.165 1335 Y HA -0.281 4.272 4.550 0.005 0.000 0.286 1335 Y C 2.323 178.166 175.900 -0.095 0.000 1.155 1335 Y CA 1.965 59.996 58.100 -0.116 0.000 1.164 1335 Y CB -1.165 37.242 38.460 -0.089 0.000 0.978 1335 Y HN 0.448 nan 8.280 nan 0.000 0.513 1336 N N -0.174 118.550 118.700 0.040 0.000 2.104 1336 N HA -0.194 4.549 4.740 0.004 0.000 0.190 1336 N C 1.537 177.026 175.510 -0.034 0.000 1.024 1336 N CA 1.823 54.874 53.050 0.002 0.000 0.853 1336 N CB -0.703 37.772 38.487 -0.020 0.000 1.008 1336 N HN 0.273 nan 8.380 nan 0.000 0.424 1337 M N 1.201 120.717 119.600 -0.141 0.000 2.213 1337 M HA -0.054 4.428 4.480 0.004 0.000 0.263 1337 M C 2.106 178.387 176.300 -0.032 0.000 1.062 1337 M CA 1.199 56.404 55.300 -0.159 0.000 1.105 1337 M CB -1.035 31.231 32.600 -0.557 0.000 1.385 1337 M HN 0.299 nan 8.290 nan 0.000 0.417 1338 Q N 0.097 119.880 119.800 -0.028 0.000 2.084 1338 Q HA -0.127 4.215 4.340 0.004 0.000 0.202 1338 Q C 2.125 178.207 176.000 0.136 0.000 0.978 1338 Q CA 1.296 57.153 55.803 0.089 0.000 0.844 1338 Q CB -0.270 28.542 28.738 0.124 0.000 0.898 1338 Q HN 0.522 nan 8.270 nan 0.000 0.426 1339 I N 1.268 121.899 120.570 0.103 0.000 2.127 1339 I HA -0.303 3.870 4.170 0.004 0.000 0.241 1339 I C 1.700 177.868 176.117 0.085 0.000 1.075 1339 I CA 1.227 62.580 61.300 0.089 0.000 1.334 1339 I CB -0.431 37.608 38.000 0.065 0.000 1.040 1339 I HN 0.115 nan 8.210 nan 0.000 0.405 1340 D N 1.005 121.456 120.400 0.084 0.000 2.117 1340 D HA -0.131 4.512 4.640 0.004 0.000 0.197 1340 D C 2.399 178.776 176.300 0.128 0.000 0.987 1340 D CA 1.201 55.260 54.000 0.098 0.000 0.829 1340 D CB -0.371 40.491 40.800 0.103 0.000 0.961 1340 D HN 0.300 nan 8.370 nan 0.000 0.460 1341 L N 0.490 121.806 121.223 0.156 0.000 2.012 1341 L HA -0.185 4.157 4.340 0.004 0.000 0.210 1341 L C 2.576 179.531 176.870 0.142 0.000 1.073 1341 L CA 0.857 55.810 54.840 0.189 0.000 0.748 1341 L CB -0.443 41.758 42.059 0.237 0.000 0.891 1341 L HN -0.037 nan 8.230 nan 0.000 0.431 1342 V N -0.627 119.350 119.914 0.104 0.000 2.407 1342 V HA -0.230 3.892 4.120 0.004 0.000 0.248 1342 V C 2.532 178.678 176.094 0.086 0.000 1.055 1342 V CA 1.505 63.835 62.300 0.049 0.000 1.049 1342 V CB -0.480 31.335 31.823 -0.013 0.000 0.662 1342 V HN 0.422 nan 8.190 nan 0.000 0.455 1343 E N 0.488 120.737 120.200 0.080 0.000 2.031 1343 E HA -0.194 4.158 4.350 0.004 0.000 0.193 1343 E C 2.434 179.079 176.600 0.076 0.000 0.994 1343 E CA 1.579 58.019 56.400 0.067 0.000 0.800 1343 E CB -0.602 29.134 29.700 0.060 0.000 0.752 1343 E HN 0.552 nan 8.360 nan 0.000 0.447 1344 A N 1.068 123.949 122.820 0.101 0.000 1.908 1344 A HA -0.258 4.065 4.320 0.004 0.000 0.218 1344 A C 2.026 179.667 177.584 0.095 0.000 1.181 1344 A CA 2.155 54.253 52.037 0.101 0.000 0.627 1344 A CB -1.006 18.073 19.000 0.131 0.000 0.818 1344 A HN 0.357 nan 8.150 nan 0.000 0.445 1345 H N 0.178 119.255 119.070 0.012 0.000 2.492 1345 H HA -0.073 4.485 4.556 0.004 0.000 0.296 1345 H C 1.765 177.079 175.328 -0.023 0.000 1.095 1345 H CA 1.921 57.959 56.048 -0.016 0.000 1.281 1345 H CB -0.128 29.612 29.762 -0.037 0.000 1.374 1345 H HN 0.526 nan 8.280 nan 0.000 0.545 1346 K N -0.000 120.361 120.400 -0.065 0.000 2.148 1346 K HA -0.023 4.299 4.320 0.004 0.000 0.204 1346 K C 0.321 176.847 176.600 -0.124 0.000 1.050 1346 K CA 0.654 56.875 56.287 -0.110 0.000 0.942 1346 K CB 0.112 32.591 32.500 -0.035 0.000 0.724 1346 K HN 0.319 nan 8.250 nan 0.000 0.446 1347 I N 3.073 123.593 120.570 -0.083 0.000 2.664 1347 I HA -0.122 4.050 4.170 0.004 0.000 0.284 1347 I C 1.122 177.176 176.117 -0.106 0.000 1.154 1347 I CA -0.105 61.155 61.300 -0.065 0.000 1.402 1347 I CB 0.277 38.264 38.000 -0.022 0.000 1.395 1347 I HN 0.166 nan 8.210 nan 0.000 0.545 1348 N N 4.101 122.746 118.700 -0.092 0.000 2.300 1348 N HA -0.093 4.650 4.740 0.004 0.000 0.179 1348 N C 0.436 175.897 175.510 -0.081 0.000 1.016 1348 N CA 0.692 53.682 53.050 -0.101 0.000 0.876 1348 N CB -0.049 38.391 38.487 -0.079 0.000 0.979 1348 N HN 0.663 nan 8.380 nan 0.000 0.432 1349 D N 0.332 120.697 120.400 -0.060 0.000 2.390 1349 D HA 0.028 4.671 4.640 0.004 0.000 0.249 1349 D C 1.294 177.554 176.300 -0.066 0.000 1.144 1349 D CA -0.283 53.685 54.000 -0.053 0.000 0.880 1349 D CB 1.075 41.854 40.800 -0.034 0.000 1.182 1349 D HN -0.185 nan 8.370 nan 0.000 0.451 1350 R N 3.090 123.540 120.500 -0.083 0.000 2.073 1350 R HA -0.147 4.195 4.340 0.004 0.000 0.234 1350 R C 1.720 177.921 176.300 -0.164 0.000 1.134 1350 R CA 2.021 58.052 56.100 -0.116 0.000 0.952 1350 R CB -0.439 29.788 30.300 -0.122 0.000 0.850 1350 R HN 0.755 nan 8.270 nan 0.000 0.433 1351 E N -0.486 119.620 120.200 -0.157 0.000 2.051 1351 E HA -0.229 4.124 4.350 0.004 0.000 0.192 1351 E C 1.754 178.297 176.600 -0.095 0.000 0.991 1351 E CA 1.108 57.382 56.400 -0.210 0.000 0.799 1351 E CB 0.033 29.670 29.700 -0.105 0.000 0.748 1351 E HN 0.317 nan 8.360 nan 0.000 0.449 1352 Q N 0.768 120.580 119.800 0.021 0.000 2.061 1352 Q HA -0.213 4.129 4.340 0.004 0.000 0.204 1352 Q C 2.107 178.147 176.000 0.066 0.000 0.984 1352 Q CA 1.503 57.365 55.803 0.097 0.000 0.846 1352 Q CB -0.396 28.368 28.738 0.045 0.000 0.902 1352 Q HN 0.262 nan 8.270 nan 0.000 0.421 1353 K N 0.469 120.865 120.400 -0.006 0.000 2.032 1353 K HA -0.136 4.187 4.320 0.004 0.000 0.209 1353 K C 2.241 178.856 176.600 0.025 0.000 1.048 1353 K CA 1.040 57.328 56.287 0.001 0.000 0.927 1353 K CB -0.145 32.331 32.500 -0.040 0.000 0.712 1353 K HN 0.127 nan 8.250 nan 0.000 0.441 1354 L N -0.366 120.802 121.223 -0.091 0.000 2.093 1354 L HA -0.187 4.156 4.340 0.004 0.000 0.208 1354 L C 2.259 179.194 176.870 0.108 0.000 1.085 1354 L CA 1.432 56.206 54.840 -0.110 0.000 0.755 1354 L CB -0.509 41.162 42.059 -0.648 0.000 0.904 1354 L HN 0.351 nan 8.230 nan 0.000 0.435 1355 H N -0.586 118.578 119.070 0.156 0.000 2.293 1355 H HA -0.132 4.427 4.556 0.005 0.000 0.300 1355 H C 2.352 177.784 175.328 0.172 0.000 1.082 1355 H CA 1.284 57.456 56.048 0.208 0.000 1.308 1355 H CB -0.096 29.742 29.762 0.128 0.000 1.375 1355 H HN 0.358 nan 8.280 nan 0.000 0.495 1356 A N 0.921 123.891 122.820 0.250 0.000 1.903 1356 A HA -0.217 4.106 4.320 0.004 0.000 0.219 1356 A C 2.350 180.060 177.584 0.210 0.000 1.191 1356 A CA 1.803 53.951 52.037 0.185 0.000 0.638 1356 A CB -0.974 18.105 19.000 0.132 0.000 0.823 1356 A HN 0.331 nan 8.150 nan 0.000 0.451 1357 L N -0.991 120.375 121.223 0.238 0.000 2.046 1357 L HA -0.186 4.157 4.340 0.004 0.000 0.208 1357 L C 2.655 179.743 176.870 0.362 0.000 1.077 1357 L CA 1.943 56.942 54.840 0.265 0.000 0.747 1357 L CB -0.365 41.794 42.059 0.165 0.000 0.896 1357 L HN 0.441 nan 8.230 nan 0.000 0.432 1358 K N -0.303 120.383 120.400 0.477 0.000 2.147 1358 K HA -0.192 4.131 4.320 0.004 0.000 0.205 1358 K C 2.055 178.785 176.600 0.216 0.000 1.049 1358 K CA 1.010 57.529 56.287 0.385 0.000 0.936 1358 K CB 0.138 32.751 32.500 0.189 0.000 0.722 1358 K HN 0.192 nan 8.250 nan 0.000 0.446 1359 E N 0.366 120.689 120.200 0.206 0.000 2.051 1359 E HA -0.154 4.198 4.350 0.004 0.000 0.192 1359 E C 2.038 178.737 176.600 0.164 0.000 0.991 1359 E CA 1.122 57.614 56.400 0.154 0.000 0.799 1359 E CB -0.217 29.566 29.700 0.139 0.000 0.748 1359 E HN 0.113 nan 8.360 nan 0.000 0.449 1360 V N 1.607 121.643 119.914 0.203 0.000 2.332 1360 V HA -0.254 3.869 4.120 0.004 0.000 0.248 1360 V C 2.547 178.825 176.094 0.307 0.000 1.055 1360 V CA 1.460 63.910 62.300 0.249 0.000 1.038 1360 V CB -0.551 31.444 31.823 0.287 0.000 0.651 1360 V HN 0.188 nan 8.190 nan 0.000 0.450 1361 L N 0.123 121.460 121.223 0.189 0.000 2.187 1361 L HA -0.175 4.168 4.340 0.004 0.000 0.213 1361 L C 2.289 179.204 176.870 0.076 0.000 1.100 1361 L CA 1.885 56.685 54.840 -0.066 0.000 0.765 1361 L CB -0.693 41.338 42.059 -0.047 0.000 0.904 1361 L HN 0.261 nan 8.230 nan 0.000 0.437 1362 K N -0.855 119.612 120.400 0.111 0.000 2.288 1362 K HA -0.088 4.235 4.320 0.004 0.000 0.201 1362 K C 1.659 178.321 176.600 0.103 0.000 1.048 1362 K CA 0.880 57.201 56.287 0.057 0.000 0.956 1362 K CB -0.001 32.527 32.500 0.047 0.000 0.746 1362 K HN 0.303 nan 8.250 nan 0.000 0.461 1363 K N 0.106 120.625 120.400 0.198 0.000 2.444 1363 K HA 0.075 4.398 4.320 0.004 0.000 0.193 1363 K C -0.195 176.546 176.600 0.235 0.000 1.024 1363 K CA -0.141 56.252 56.287 0.177 0.000 1.077 1363 K CB 0.196 32.781 32.500 0.142 0.000 0.833 1363 K HN -0.057 nan 8.250 nan 0.000 0.517 1364 F N 2.567 122.541 119.950 0.040 0.000 2.563 1364 F HA 0.061 4.591 4.527 0.005 0.000 0.363 1364 F C -1.692 174.129 175.800 0.036 0.000 1.123 1364 F CA -2.462 55.563 58.000 0.043 0.000 1.307 1364 F CB -0.246 38.834 39.000 0.132 0.000 1.115 1364 F HN -0.092 nan 8.300 nan 0.000 0.592 1365 P HA -0.047 nan 4.420 nan 0.000 0.264 1365 P C 0.582 177.982 177.300 0.166 0.000 1.183 1365 P CA 0.132 63.282 63.100 0.084 0.000 0.763 1365 P CB 0.530 32.238 31.700 0.014 0.000 0.807 1366 K N 2.538 123.012 120.400 0.124 0.000 2.097 1366 K HA -0.214 4.108 4.320 0.004 0.000 0.206 1366 K C 1.382 178.087 176.600 0.176 0.000 1.049 1366 K CA 1.600 57.975 56.287 0.147 0.000 0.933 1366 K CB -0.004 32.546 32.500 0.083 0.000 0.717 1366 K HN 0.299 nan 8.250 nan 0.000 0.442 1367 E N 0.714 120.988 120.200 0.124 0.000 2.058 1367 E HA -0.197 4.155 4.350 0.004 0.000 0.194 1367 E C 1.664 178.356 176.600 0.153 0.000 0.997 1367 E CA 2.011 58.478 56.400 0.112 0.000 0.801 1367 E CB -0.266 29.477 29.700 0.072 0.000 0.746 1367 E HN 0.410 nan 8.360 nan 0.000 0.450 1368 N N -0.625 118.174 118.700 0.165 0.000 2.142 1368 N HA -0.147 4.596 4.740 0.004 0.000 0.186 1368 N C 1.664 177.363 175.510 0.314 0.000 1.023 1368 N CA 1.403 54.571 53.050 0.197 0.000 0.852 1368 N CB -0.415 38.135 38.487 0.104 0.000 0.998 1368 N HN 0.301 nan 8.380 nan 0.000 0.424 1369 H N 0.811 120.058 119.070 0.295 0.000 2.352 1369 H HA -0.052 4.508 4.556 0.007 0.000 0.299 1369 H C 1.499 176.953 175.328 0.210 0.000 1.097 1369 H CA 1.555 57.777 56.048 0.291 0.000 1.311 1369 H CB 0.194 30.095 29.762 0.232 0.000 1.377 1369 H HN 0.089 nan 8.280 nan 0.000 0.504 1370 E N 0.064 120.423 120.200 0.266 0.000 2.031 1370 E HA -0.120 4.233 4.350 0.004 0.000 0.193 1370 E C 2.618 179.266 176.600 0.081 0.000 0.994 1370 E CA 1.224 57.719 56.400 0.157 0.000 0.800 1370 E CB -0.555 29.233 29.700 0.147 0.000 0.752 1370 E HN 0.398 nan 8.360 nan 0.000 0.447 1371 V N 1.252 121.242 119.914 0.127 0.000 2.343 1371 V HA -0.220 3.902 4.120 0.004 0.000 0.247 1371 V C 2.203 178.362 176.094 0.109 0.000 1.051 1371 V CA 1.607 64.000 62.300 0.155 0.000 1.036 1371 V CB -0.626 31.353 31.823 0.261 0.000 0.654 1371 V HN 0.104 nan 8.190 nan 0.000 0.451 1372 F N 1.272 121.160 119.950 -0.102 0.000 2.095 1372 F HA -0.211 4.318 4.527 0.002 0.000 0.298 1372 F C 2.503 178.025 175.800 -0.464 0.000 1.104 1372 F CA 2.229 60.075 58.000 -0.257 0.000 1.232 1372 F CB -0.410 38.458 39.000 -0.219 0.000 0.987 1372 F HN 0.014 nan 8.300 nan 0.000 0.475 1373 K N -1.018 119.035 120.400 -0.578 0.000 2.009 1373 K HA -0.298 4.024 4.320 0.004 0.000 0.210 1373 K C 2.293 178.487 176.600 -0.676 0.000 1.049 1373 K CA 2.022 57.647 56.287 -1.104 0.000 0.929 1373 K CB -0.916 31.184 32.500 -0.667 0.000 0.714 1373 K HN 0.382 nan 8.250 nan 0.000 0.440 1374 Y N 1.395 121.454 120.300 -0.400 0.000 2.070 1374 Y HA -0.291 4.261 4.550 0.003 0.000 0.280 1374 Y C 2.104 177.849 175.900 -0.259 0.000 1.148 1374 Y CA 1.893 59.846 58.100 -0.245 0.000 1.125 1374 Y CB -0.438 37.952 38.460 -0.116 0.000 0.975 1374 Y HN -0.137 nan 8.280 nan 0.000 0.492 1375 V N 0.331 120.164 119.914 -0.135 0.000 2.287 1375 V HA -0.358 3.764 4.120 0.004 0.000 0.248 1375 V C 2.361 178.170 176.094 -0.475 0.000 1.053 1375 V CA 1.910 64.053 62.300 -0.261 0.000 1.027 1375 V CB -0.767 30.862 31.823 -0.323 0.000 0.646 1375 V HN 0.430 nan 8.190 nan 0.000 0.447 1376 I N 1.038 121.201 120.570 -0.678 0.000 2.226 1376 I HA -0.185 3.987 4.170 0.004 0.000 0.245 1376 I C 2.644 178.491 176.117 -0.450 0.000 1.100 1376 I CA 2.123 63.025 61.300 -0.663 0.000 1.374 1376 I CB -1.480 36.007 38.000 -0.854 0.000 1.057 1376 I HN 0.436 nan 8.210 nan 0.000 0.413 1377 S N -0.005 115.431 115.700 -0.440 0.000 2.368 1377 S HA -0.269 4.203 4.470 0.004 0.000 0.225 1377 S C 1.979 176.434 174.600 -0.243 0.000 1.030 1377 S CA 1.457 59.500 58.200 -0.262 0.000 0.999 1377 S CB -0.897 62.188 63.200 -0.191 0.000 0.844 1377 S HN 0.548 nan 8.310 nan 0.000 0.459 1378 H N 2.259 121.093 119.070 -0.395 0.000 2.319 1378 H HA 0.014 4.572 4.556 0.004 0.000 0.297 1378 H C 1.789 176.958 175.328 -0.264 0.000 1.097 1378 H CA 1.787 57.636 56.048 -0.332 0.000 1.285 1378 H CB -0.629 28.913 29.762 -0.366 0.000 1.368 1378 H HN 0.322 nan 8.280 nan 0.000 0.495 1379 L N 0.230 121.137 121.223 -0.527 0.000 2.093 1379 L HA -0.173 4.170 4.340 0.004 0.000 0.208 1379 L C 2.637 179.275 176.870 -0.386 0.000 1.085 1379 L CA 1.404 55.926 54.840 -0.530 0.000 0.755 1379 L CB -0.624 41.117 42.059 -0.530 0.000 0.904 1379 L HN 0.513 nan 8.230 nan 0.000 0.435 1380 N N 0.877 119.372 118.700 -0.342 0.000 2.149 1380 N HA -0.260 4.482 4.740 0.004 0.000 0.188 1380 N C 1.902 177.052 175.510 -0.599 0.000 1.019 1380 N CA 1.477 54.314 53.050 -0.356 0.000 0.857 1380 N CB 0.107 38.456 38.487 -0.231 0.000 0.997 1380 N HN 0.335 nan 8.380 nan 0.000 0.426 1381 K N 0.647 120.784 120.400 -0.438 0.000 2.001 1381 K HA -0.051 4.272 4.320 0.004 0.000 0.208 1381 K C 2.072 178.512 176.600 -0.266 0.000 1.048 1381 K CA 0.975 57.054 56.287 -0.346 0.000 0.932 1381 K CB -0.027 32.393 32.500 -0.133 0.000 0.715 1381 K HN -0.030 nan 8.250 nan 0.000 0.437 1382 V N 1.749 121.494 119.914 -0.282 0.000 2.380 1382 V HA -0.292 3.831 4.120 0.004 0.000 0.251 1382 V C 2.435 178.466 176.094 -0.104 0.000 1.063 1382 V CA 2.270 64.472 62.300 -0.164 0.000 1.055 1382 V CB -0.717 31.013 31.823 -0.156 0.000 0.657 1382 V HN 0.584 nan 8.190 nan 0.000 0.455 1383 S N -0.794 114.804 115.700 -0.171 0.000 2.447 1383 S HA -0.225 4.248 4.470 0.004 0.000 0.233 1383 S C 1.804 176.411 174.600 0.012 0.000 1.006 1383 S CA 1.141 59.289 58.200 -0.087 0.000 0.957 1383 S CB -0.590 62.543 63.200 -0.112 0.000 0.773 1383 S HN 0.704 nan 8.310 nan 0.000 0.507 1384 H N 1.162 120.224 119.070 -0.013 0.000 2.546 1384 H HA 0.235 4.793 4.556 0.004 0.000 0.277 1384 H C 1.077 176.404 175.328 -0.001 0.000 1.004 1384 H CA 0.819 56.865 56.048 -0.003 0.000 1.231 1384 H CB -0.387 29.375 29.762 -0.000 0.000 1.382 1384 H HN 0.481 nan 8.280 nan 0.000 0.580 1385 N N 0.645 119.407 118.700 0.103 0.000 2.328 1385 N HA -0.041 4.702 4.740 0.004 0.000 0.247 1385 N C 0.988 176.524 175.510 0.044 0.000 1.165 1385 N CA -0.101 52.986 53.050 0.061 0.000 0.873 1385 N CB -0.152 38.359 38.487 0.041 0.000 1.125 1385 N HN 0.385 nan 8.380 nan 0.000 0.513 1386 N N -0.079 118.652 118.700 0.051 0.000 2.223 1386 N HA -0.160 4.583 4.740 0.004 0.000 0.185 1386 N C 1.202 176.733 175.510 0.035 0.000 1.016 1386 N CA 1.086 54.161 53.050 0.042 0.000 0.863 1386 N CB 0.071 38.586 38.487 0.046 0.000 0.983 1386 N HN 0.023 nan 8.380 nan 0.000 0.429 1387 K N 0.177 120.597 120.400 0.033 0.000 2.103 1387 K HA -0.064 4.259 4.320 0.004 0.000 0.207 1387 K C 1.777 178.389 176.600 0.021 0.000 1.048 1387 K CA 1.100 57.402 56.287 0.025 0.000 0.930 1387 K CB -0.326 32.187 32.500 0.021 0.000 0.716 1387 K HN 0.237 nan 8.250 nan 0.000 0.444 1388 V N 2.199 122.126 119.914 0.021 0.000 2.403 1388 V HA -0.172 3.950 4.120 0.004 0.000 0.239 1388 V C 1.722 177.825 176.094 0.016 0.000 1.041 1388 V CA 1.768 64.077 62.300 0.016 0.000 1.051 1388 V CB -0.521 31.309 31.823 0.013 0.000 0.704 1388 V HN 0.406 nan 8.190 nan 0.000 0.472 1389 N N 0.713 119.424 118.700 0.018 0.000 2.467 1389 N HA -0.003 4.739 4.740 0.004 0.000 0.184 1389 N C 0.953 176.479 175.510 0.027 0.000 1.106 1389 N CA 0.508 53.569 53.050 0.018 0.000 0.892 1389 N CB -0.210 38.286 38.487 0.014 0.000 0.969 1389 N HN 0.450 nan 8.380 nan 0.000 0.454 1390 L N -2.484 118.757 121.223 0.030 0.000 5.081 1390 L HA -0.175 4.167 4.340 0.004 0.000 0.423 1390 L C -0.601 176.297 176.870 0.046 0.000 1.019 1390 L CA 0.469 55.330 54.840 0.035 0.000 1.223 1390 L CB -1.454 40.624 42.059 0.032 0.000 1.940 1390 L HN 0.243 nan 8.230 nan 0.000 0.675 1391 M N 1.639 121.270 119.600 0.051 0.000 2.754 1391 M HA 0.267 4.749 4.480 0.004 0.000 0.327 1391 M C 1.047 177.379 176.300 0.054 0.000 1.288 1391 M CA 0.142 55.482 55.300 0.066 0.000 1.324 1391 M CB 0.022 32.678 32.600 0.093 0.000 1.169 1391 M HN 0.193 nan 8.290 nan 0.000 0.494 1392 T N -1.084 113.502 114.554 0.053 0.000 2.734 1392 T HA 0.155 4.508 4.350 0.004 0.000 0.314 1392 T C 1.422 176.151 174.700 0.048 0.000 1.057 1392 T CA -0.089 62.040 62.100 0.049 0.000 1.047 1392 T CB 0.424 69.322 68.868 0.050 0.000 0.991 1392 T HN 0.620 nan 8.240 nan 0.000 0.540 1393 S N -0.182 115.541 115.700 0.038 0.000 2.383 1393 S HA -0.185 4.287 4.470 0.004 0.000 0.229 1393 S C 1.835 176.478 174.600 0.071 0.000 1.030 1393 S CA 1.132 59.354 58.200 0.036 0.000 1.002 1393 S CB -0.702 62.515 63.200 0.028 0.000 0.829 1393 S HN 0.887 nan 8.310 nan 0.000 0.467 1394 E N 2.100 122.345 120.200 0.075 0.000 2.038 1394 E HA -0.251 4.102 4.350 0.004 0.000 0.195 1394 E C 1.717 178.389 176.600 0.120 0.000 1.000 1394 E CA 1.509 57.967 56.400 0.096 0.000 0.803 1394 E CB -0.231 29.517 29.700 0.080 0.000 0.750 1394 E HN 0.418 nan 8.360 nan 0.000 0.448 1395 N N 0.664 119.426 118.700 0.103 0.000 2.069 1395 N HA -0.177 4.566 4.740 0.004 0.000 0.191 1395 N C 2.037 177.632 175.510 0.141 0.000 1.031 1395 N CA 1.109 54.226 53.050 0.113 0.000 0.852 1395 N CB -0.445 38.098 38.487 0.093 0.000 1.018 1395 N HN 0.237 nan 8.380 nan 0.000 0.423 1396 L N 0.871 122.176 121.223 0.136 0.000 2.083 1396 L HA -0.166 4.176 4.340 0.004 0.000 0.209 1396 L C 2.352 179.367 176.870 0.242 0.000 1.083 1396 L CA 1.320 56.266 54.840 0.177 0.000 0.752 1396 L CB -0.543 41.562 42.059 0.076 0.000 0.899 1396 L HN 0.261 nan 8.230 nan 0.000 0.433 1397 S N -0.151 115.678 115.700 0.214 0.000 2.402 1397 S HA -0.143 4.330 4.470 0.004 0.000 0.229 1397 S C 1.904 176.735 174.600 0.385 0.000 1.021 1397 S CA 0.875 59.263 58.200 0.312 0.000 0.974 1397 S CB -0.679 62.702 63.200 0.301 0.000 0.800 1397 S HN 0.358 nan 8.310 nan 0.000 0.484 1398 I N 1.494 122.241 120.570 0.296 0.000 2.264 1398 I HA -0.207 3.966 4.170 0.004 0.000 0.248 1398 I C 2.184 178.291 176.117 -0.017 0.000 1.111 1398 I CA 1.049 62.483 61.300 0.224 0.000 1.382 1398 I CB -0.605 37.506 38.000 0.184 0.000 1.060 1398 I HN 0.425 nan 8.210 nan 0.000 0.418 1399 C N -0.522 118.785 119.300 0.013 0.000 2.468 1399 C HA -0.011 4.451 4.460 0.004 0.000 0.277 1399 C C 2.347 177.129 174.990 -0.347 0.000 1.400 1399 C CA 0.185 59.110 59.018 -0.155 0.000 1.770 1399 C CB -1.129 26.554 27.740 -0.095 0.000 1.905 1399 C HN 0.411 nan 8.230 nan 0.000 0.519 1400 F N 0.034 119.912 119.950 -0.120 0.000 2.602 1400 F HA 0.126 4.657 4.527 0.006 0.000 0.284 1400 F C 2.301 178.058 175.800 -0.071 0.000 1.111 1400 F CA -0.040 57.895 58.000 -0.108 0.000 1.405 1400 F CB -0.537 38.404 39.000 -0.098 0.000 1.121 1400 F HN 0.396 nan 8.300 nan 0.000 0.603 1401 W N 1.794 123.192 121.300 0.164 0.000 2.363 1401 W HA -0.053 4.609 4.660 0.004 0.000 0.296 1401 W C -1.425 175.096 176.519 0.003 0.000 1.212 1401 W CA 0.973 58.380 57.345 0.104 0.000 1.260 1401 W CB -2.500 27.048 29.460 0.147 0.000 1.131 1401 W HN 0.012 nan 8.180 nan 0.000 0.530 1402 P HA -0.109 nan 4.420 nan 0.000 0.216 1402 P C 1.832 178.999 177.300 -0.221 0.000 1.153 1402 P CA 2.990 65.743 63.100 -0.578 0.000 0.848 1402 P CB -0.259 30.930 31.700 -0.853 0.000 0.787 1403 T N -0.151 114.285 114.554 -0.198 0.000 2.746 1403 T HA -0.065 4.287 4.350 0.004 0.000 0.267 1403 T C 1.676 176.369 174.700 -0.012 0.000 1.039 1403 T CA 1.120 63.170 62.100 -0.083 0.000 1.142 1403 T CB -0.839 67.977 68.868 -0.085 0.000 0.866 1403 T HN 0.069 nan 8.240 nan 0.000 0.444 1404 L N -0.549 120.687 121.223 0.022 0.000 2.418 1404 L HA 0.214 4.557 4.340 0.004 0.000 0.218 1404 L C 2.237 179.052 176.870 -0.092 0.000 1.125 1404 L CA 0.836 55.670 54.840 -0.010 0.000 0.835 1404 L CB -0.263 41.845 42.059 0.080 0.000 0.953 1404 L HN 0.289 nan 8.230 nan 0.000 0.454 1405 M N -2.202 117.344 119.600 -0.089 0.000 2.379 1405 M HA 0.178 4.661 4.480 0.004 0.000 0.268 1405 M C 0.139 176.304 176.300 -0.225 0.000 1.185 1405 M CA -0.030 55.143 55.300 -0.212 0.000 1.121 1405 M CB 0.852 33.310 32.600 -0.237 0.000 1.608 1405 M HN -0.092 nan 8.290 nan 0.000 0.569 1406 R N 0.936 121.362 120.500 -0.123 0.000 3.205 1406 R HA -0.115 4.227 4.340 0.004 0.000 0.249 1406 R C -2.559 173.731 176.300 -0.017 0.000 0.937 1406 R CA -0.069 55.995 56.100 -0.059 0.000 0.641 1406 R CB -1.951 28.348 30.300 -0.002 0.000 1.114 1406 R HN 0.200 nan 8.270 nan 0.000 0.451 1407 P HA -0.009 nan 4.420 nan 0.000 0.268 1407 P C -0.305 176.731 177.300 -0.440 0.000 1.205 1407 P CA -0.018 62.880 63.100 -0.338 0.000 0.771 1407 P CB 0.549 31.901 31.700 -0.581 0.000 0.858 1408 D N 1.748 121.967 120.400 -0.302 0.000 2.313 1408 D HA 0.153 4.796 4.640 0.004 0.000 0.239 1408 D C -0.324 175.888 176.300 -0.146 0.000 1.142 1408 D CA -0.321 53.543 54.000 -0.227 0.000 0.847 1408 D CB 0.099 40.792 40.800 -0.178 0.000 1.082 1408 D HN 0.113 nan 8.370 nan 0.000 0.480 1409 F N 1.812 121.803 119.950 0.068 0.000 2.664 1409 F HA 0.219 4.749 4.527 0.005 0.000 0.301 1409 F C 1.930 177.758 175.800 0.046 0.000 1.126 1409 F CA -0.203 57.843 58.000 0.077 0.000 1.373 1409 F CB -0.400 38.659 39.000 0.098 0.000 1.042 1409 F HN 0.413 nan 8.300 nan 0.000 0.535 1410 S N -0.112 115.692 115.700 0.174 0.000 2.481 1410 S HA 0.577 5.050 4.470 0.004 0.000 0.243 1410 S C 1.264 175.910 174.600 0.077 0.000 1.152 1410 S CA 0.584 58.848 58.200 0.106 0.000 1.168 1410 S CB -0.724 62.512 63.200 0.060 0.000 0.835 1410 S HN 0.332 nan 8.310 nan 0.000 0.474 1411 T N 0.259 114.881 114.554 0.113 0.000 3.328 1411 T HA 0.542 4.895 4.350 0.004 0.000 0.297 1411 T C 0.149 174.917 174.700 0.114 0.000 0.882 1411 T CA 0.563 62.709 62.100 0.077 0.000 0.906 1411 T CB -0.239 68.646 68.868 0.029 0.000 1.210 1411 T HN 0.780 nan 8.240 nan 0.000 0.631 1412 M N -0.172 119.537 119.600 0.182 0.000 2.755 1412 M HA 0.482 4.965 4.480 0.004 0.000 0.276 1412 M C -2.479 173.933 176.300 0.186 0.000 1.129 1412 M CA -0.977 54.432 55.300 0.182 0.000 0.832 1412 M CB 1.012 33.750 32.600 0.229 0.000 1.700 1412 M HN -0.067 nan 8.290 nan 0.000 0.518 1413 D N 1.689 122.140 120.400 0.086 0.000 2.417 1413 D HA 0.490 5.133 4.640 0.004 0.000 0.250 1413 D C 1.144 177.396 176.300 -0.081 0.000 1.166 1413 D CA 1.040 55.044 54.000 0.005 0.000 0.881 1413 D CB 1.769 42.562 40.800 -0.012 0.000 1.164 1413 D HN 0.700 nan 8.370 nan 0.000 0.467 1414 A N 3.993 126.638 122.820 -0.292 0.000 1.908 1414 A HA -0.127 4.196 4.320 0.004 0.000 0.218 1414 A C 2.624 179.980 177.584 -0.381 0.000 1.181 1414 A CA 2.679 54.252 52.037 -0.774 0.000 0.627 1414 A CB -1.352 17.177 19.000 -0.785 0.000 0.818 1414 A HN 0.770 nan 8.150 nan 0.000 0.445 1415 L N -1.192 119.920 121.223 -0.185 0.000 2.056 1415 L HA 0.116 4.459 4.340 0.004 0.000 0.207 1415 L C 2.999 179.834 176.870 -0.059 0.000 1.078 1415 L CA 3.175 57.964 54.840 -0.085 0.000 0.749 1415 L CB -2.486 39.542 42.059 -0.052 0.000 0.901 1415 L HN 0.676 nan 8.230 nan 0.000 0.433 1416 T N -1.685 112.835 114.554 -0.056 0.000 2.777 1416 T HA 0.157 4.509 4.350 0.004 0.000 0.266 1416 T C 2.348 176.997 174.700 -0.085 0.000 1.040 1416 T CA 2.595 64.664 62.100 -0.053 0.000 1.141 1416 T CB -0.548 68.298 68.868 -0.037 0.000 0.868 1416 T HN 0.954 nan 8.240 nan 0.000 0.444 1417 A N 0.839 123.640 122.820 -0.032 0.000 2.019 1417 A HA 0.031 4.354 4.320 0.004 0.000 0.219 1417 A C 2.618 180.130 177.584 -0.119 0.000 1.164 1417 A CA 2.308 54.331 52.037 -0.024 0.000 0.644 1417 A CB -1.062 18.217 19.000 0.465 0.000 0.805 1417 A HN 0.463 nan 8.150 nan 0.000 0.449 1418 T N -0.211 114.311 114.554 -0.054 0.000 2.674 1418 T HA -0.086 4.266 4.350 0.004 0.000 0.265 1418 T C 2.569 177.111 174.700 -0.264 0.000 1.039 1418 T CA 2.417 64.442 62.100 -0.126 0.000 1.150 1418 T CB -0.436 68.510 68.868 0.130 0.000 0.864 1418 T HN 0.678 nan 8.240 nan 0.000 0.427 1419 R N 1.232 121.645 120.500 -0.146 0.000 2.096 1419 R HA -0.078 4.264 4.340 0.004 0.000 0.235 1419 R C 2.571 178.738 176.300 -0.220 0.000 1.127 1419 R CA 2.192 58.220 56.100 -0.121 0.000 0.968 1419 R CB -1.906 28.363 30.300 -0.050 0.000 0.861 1419 R HN 0.485 nan 8.270 nan 0.000 0.440 1420 T N -0.144 114.215 114.554 -0.324 0.000 2.701 1420 T HA -0.079 4.274 4.350 0.004 0.000 0.263 1420 T C 1.876 176.216 174.700 -0.601 0.000 1.040 1420 T CA 1.582 63.393 62.100 -0.481 0.000 1.147 1420 T CB -0.368 68.195 68.868 -0.509 0.000 0.865 1420 T HN 0.651 nan 8.240 nan 0.000 0.426 1421 Y N 1.415 121.404 120.300 -0.517 0.000 2.200 1421 Y HA -0.161 4.391 4.550 0.004 0.000 0.290 1421 Y C 2.945 178.523 175.900 -0.537 0.000 1.137 1421 Y CA 1.159 58.922 58.100 -0.561 0.000 1.163 1421 Y CB -0.222 37.736 38.460 -0.836 0.000 0.988 1421 Y HN 0.256 nan 8.280 nan 0.000 0.518 1422 Q N 0.238 119.685 119.800 -0.590 0.000 2.030 1422 Q HA -0.206 4.137 4.340 0.004 0.000 0.204 1422 Q C 1.868 177.859 176.000 -0.015 0.000 0.986 1422 Q CA 2.507 58.198 55.803 -0.187 0.000 0.843 1422 Q CB -0.295 28.425 28.738 -0.031 0.000 0.904 1422 Q HN 0.363 nan 8.270 nan 0.000 0.420 1423 T N 1.544 116.036 114.554 -0.105 0.000 2.746 1423 T HA -0.110 4.242 4.350 0.004 0.000 0.267 1423 T C 1.866 176.524 174.700 -0.069 0.000 1.039 1423 T CA 1.417 63.479 62.100 -0.063 0.000 1.142 1423 T CB -0.209 68.621 68.868 -0.063 0.000 0.866 1423 T HN 0.289 nan 8.240 nan 0.000 0.444 1424 I N 0.895 121.374 120.570 -0.152 0.000 2.127 1424 I HA -0.161 4.012 4.170 0.004 0.000 0.241 1424 I C 2.264 178.471 176.117 0.151 0.000 1.075 1424 I CA 1.162 62.430 61.300 -0.053 0.000 1.334 1424 I CB -0.380 37.624 38.000 0.006 0.000 1.040 1424 I HN 0.188 nan 8.210 nan 0.000 0.405 1425 I N 0.657 121.385 120.570 0.264 0.000 2.361 1425 I HA -0.267 3.905 4.170 0.004 0.000 0.251 1425 I C 2.525 178.787 176.117 0.241 0.000 1.133 1425 I CA 1.489 63.011 61.300 0.371 0.000 1.413 1425 I CB -1.205 37.020 38.000 0.376 0.000 1.073 1425 I HN 0.425 nan 8.210 nan 0.000 0.424 1426 E N 1.324 121.620 120.200 0.160 0.000 2.110 1426 E HA -0.207 4.146 4.350 0.004 0.000 0.193 1426 E C 2.398 179.052 176.600 0.089 0.000 0.988 1426 E CA 1.009 57.476 56.400 0.113 0.000 0.804 1426 E CB 0.019 29.774 29.700 0.092 0.000 0.745 1426 E HN 0.449 nan 8.360 nan 0.000 0.458 1427 L N -0.329 120.925 121.223 0.052 0.000 2.056 1427 L HA -0.105 4.237 4.340 0.004 0.000 0.207 1427 L C 2.322 179.255 176.870 0.104 0.000 1.078 1427 L CA 0.932 55.792 54.840 0.032 0.000 0.749 1427 L CB -0.383 41.643 42.059 -0.055 0.000 0.901 1427 L HN 0.182 nan 8.230 nan 0.000 0.433 1428 F N -0.087 119.898 119.950 0.059 0.000 2.171 1428 F HA -0.230 4.298 4.527 0.002 0.000 0.300 1428 F C 2.330 178.178 175.800 0.081 0.000 1.090 1428 F CA 1.146 59.116 58.000 -0.051 0.000 1.293 1428 F CB -0.170 38.755 39.000 -0.124 0.000 1.013 1428 F HN -0.025 nan 8.300 nan 0.000 0.486 1429 I N -0.587 120.096 120.570 0.188 0.000 2.233 1429 I HA -0.263 3.910 4.170 0.004 0.000 0.243 1429 I C 2.439 178.596 176.117 0.066 0.000 1.093 1429 I CA 1.290 62.624 61.300 0.056 0.000 1.380 1429 I CB -0.452 37.541 38.000 -0.011 0.000 1.067 1429 I HN 0.145 nan 8.210 nan 0.000 0.413 1430 Q N 0.389 120.241 119.800 0.087 0.000 2.187 1430 Q HA -0.145 4.197 4.340 0.004 0.000 0.199 1430 Q C 1.292 177.337 176.000 0.076 0.000 0.957 1430 Q CA 0.976 56.819 55.803 0.067 0.000 0.857 1430 Q CB 0.371 29.139 28.738 0.049 0.000 0.929 1430 Q HN 0.373 nan 8.270 nan 0.000 0.453 1431 Q N -0.529 119.355 119.800 0.140 0.000 2.201 1431 Q HA 0.060 4.403 4.340 0.004 0.000 0.217 1431 Q C 1.379 177.506 176.000 0.212 0.000 0.860 1431 Q CA -0.034 55.827 55.803 0.096 0.000 0.984 1431 Q CB -0.201 28.518 28.738 -0.032 0.000 1.095 1431 Q HN 0.402 nan 8.270 nan 0.000 0.477 1432 C N 1.894 121.328 119.300 0.224 0.000 2.353 1432 C HA -0.189 4.274 4.460 0.004 0.000 0.272 1432 C C -0.527 174.433 174.990 -0.051 0.000 1.165 1432 C CA 1.448 60.619 59.018 0.255 0.000 1.786 1432 C CB -0.902 26.907 27.740 0.115 0.000 2.071 1432 C HN 0.341 nan 8.230 nan 0.000 0.451 1433 P HA -0.115 nan 4.420 nan 0.000 0.215 1433 P C 1.593 178.620 177.300 -0.455 0.000 1.157 1433 P CA 1.508 63.901 63.100 -1.179 0.000 0.868 1433 P CB -0.400 30.874 31.700 -0.711 0.000 0.788 1434 F N -0.885 118.829 119.950 -0.393 0.000 2.171 1434 F HA -0.112 4.420 4.527 0.008 0.000 0.300 1434 F C 1.841 177.385 175.800 -0.427 0.000 1.090 1434 F CA 1.453 59.209 58.000 -0.407 0.000 1.293 1434 F CB -0.752 37.906 39.000 -0.571 0.000 1.013 1434 F HN -0.211 nan 8.300 nan 0.000 0.486 1435 F N -1.732 118.034 119.950 -0.307 0.000 2.512 1435 F HA 0.038 4.567 4.527 0.004 0.000 0.296 1435 F C 1.142 176.464 175.800 -0.797 0.000 1.110 1435 F CA 0.741 58.351 58.000 -0.650 0.000 1.446 1435 F CB -0.105 38.460 39.000 -0.726 0.000 1.092 1435 F HN -0.102 nan 8.300 nan 0.000 0.554 1436 F N -3.445 116.561 119.950 0.095 0.000 2.915 1436 F HA 0.199 4.729 4.527 0.005 0.000 0.347 1436 F C 0.061 176.051 175.800 0.316 0.000 1.104 1436 F CA -0.705 57.393 58.000 0.163 0.000 1.126 1436 F CB 0.074 39.154 39.000 0.132 0.000 1.145 1436 F HN -0.287 nan 8.300 nan 0.000 0.541 1437 Y N 0.000 120.391 120.300 0.152 0.000 2.660 1437 Y HA 0.000 4.551 4.550 0.001 0.000 0.201 1437 Y CA 0.000 58.163 58.100 0.105 0.000 1.940 1437 Y CB 0.000 38.508 38.460 0.081 0.000 1.050 1437 Y HN 0.000 nan 8.280 nan 0.000 0.758