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 2vk6_1_A DATA FIRST_RESID 1243 DATA SEQUENCE VEGAVKTEPV DLFHPGFLNS SNYRIPALFK TKEGTLIASI DARRHGGADA DATA SEQUENCE PNNDIDTAVR RSEDGGKTWD EGQIIMDYPD KSSVIDTTLI QDDETGRIFL DATA SEQUENCE LVTHFPSKYG FWNAGLGSGF KNIDGKEYLC LYDSSGKEFT VRENVVYDKD DATA SEQUENCE SNKTEYTTNA LGDLFKNGTK IDNINSSTAP LKAKGTSYIN LVYSDDDGKT DATA SEQUENCE WSEPQNINFQ VKKDWMKFLG IAPGRGIQIK NGEHKGRIVV PVYYTNEKGK DATA SEQUENCE QSSAVIYSDD SGKNWTIGES PNDNRKLENG KIINSKTLSD DAPQLTECQV DATA SEQUENCE VEMPNGQLKL FMRNLSGYLN IATSFDGGAT WDETVEKDTN VLEPYCQLSV DATA SEQUENCE INYSQKVDGK DAVIFSNPNA RSRSNGTVRI GLINQVGTYE NGEPKYEFDW DATA SEQUENCE KYNKLVKPGY YAYSCLTELS NGNIGLLYEG TPSEEMSYIE MNLKYLESG 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 1243 V HA 0.000 nan 4.120 nan 0.000 0.244 1243 V C 0.000 176.116 176.094 0.037 0.000 1.182 1243 V CA 0.000 62.324 62.300 0.039 0.000 1.235 1243 V CB 0.000 31.840 31.823 0.028 0.000 1.184 1244 E N 1.245 121.460 120.200 0.026 0.000 2.415 1244 E HA 0.453 4.803 4.350 0.001 0.000 0.263 1244 E C 1.251 177.865 176.600 0.023 0.000 0.995 1244 E CA 1.267 57.680 56.400 0.022 0.000 0.915 1244 E CB 0.585 30.295 29.700 0.017 0.000 0.951 1244 E HN 2.250 nan 8.360 nan 0.000 0.449 1245 G N 2.725 111.539 108.800 0.023 0.000 2.258 1245 G HA2 -0.312 3.648 3.960 0.001 0.000 0.233 1245 G HA3 -0.312 3.648 3.960 0.001 0.000 0.233 1245 G C 0.331 175.249 174.900 0.031 0.000 1.006 1245 G CA -0.011 45.102 45.100 0.022 0.000 0.620 1245 G HN 0.924 nan 8.290 nan 0.000 0.511 1246 A N -0.056 122.793 122.820 0.048 0.000 2.462 1246 A HA 0.625 4.946 4.320 0.001 0.000 0.243 1246 A C 0.216 177.822 177.584 0.038 0.000 1.076 1246 A CA 0.792 52.880 52.037 0.085 0.000 0.773 1246 A CB 0.962 20.057 19.000 0.158 0.000 1.010 1246 A HN 1.228 nan 8.150 nan 0.000 0.493 1247 V N 3.112 123.034 119.914 0.012 0.000 2.531 1247 V HA 0.543 4.664 4.120 0.001 0.000 0.301 1247 V C -0.077 175.872 176.094 -0.242 0.000 1.034 1247 V CA -0.580 61.674 62.300 -0.076 0.000 0.865 1247 V CB 1.708 33.509 31.823 -0.037 0.000 0.995 1247 V HN 0.908 nan 8.190 nan 0.000 0.424 1248 K N 3.595 123.781 120.400 -0.357 0.000 2.687 1248 K HA 0.408 4.729 4.320 0.001 0.000 0.249 1248 K C -0.103 176.340 176.600 -0.261 0.000 0.994 1248 K CA -0.358 55.630 56.287 -0.498 0.000 0.913 1248 K CB 1.707 33.570 32.500 -1.062 0.000 1.202 1248 K HN 0.851 nan 8.250 nan 0.000 0.460 1249 T N 0.671 115.123 114.554 -0.169 0.000 2.900 1249 T HA 0.174 4.524 4.350 0.001 0.000 0.307 1249 T C 0.317 174.975 174.700 -0.070 0.000 1.065 1249 T CA -0.596 61.451 62.100 -0.089 0.000 1.105 1249 T CB 0.902 69.745 68.868 -0.041 0.000 0.979 1249 T HN 0.382 nan 8.240 nan 0.000 0.544 1250 E N 2.682 122.862 120.200 -0.034 0.000 2.384 1250 E HA 0.201 4.551 4.350 0.001 0.000 0.266 1250 E C -2.131 174.470 176.600 0.001 0.000 1.012 1250 E CA -1.853 54.538 56.400 -0.014 0.000 0.901 1250 E CB 0.198 29.894 29.700 -0.006 0.000 0.967 1250 E HN 0.528 nan 8.360 nan 0.000 0.435 1251 P HA -0.005 nan 4.420 nan 0.000 0.265 1251 P C -0.504 176.787 177.300 -0.016 0.000 1.193 1251 P CA 0.042 63.147 63.100 0.009 0.000 0.765 1251 P CB 0.489 32.212 31.700 0.037 0.000 0.823 1252 V N 3.546 123.449 119.914 -0.019 0.000 2.483 1252 V HA 0.152 4.272 4.120 0.001 0.000 0.295 1252 V C 0.172 176.181 176.094 -0.143 0.000 1.035 1252 V CA -0.501 61.769 62.300 -0.050 0.000 0.896 1252 V CB 1.475 33.306 31.823 0.014 0.000 0.986 1252 V HN 0.444 nan 8.190 nan 0.000 0.447 1253 D N 4.182 124.480 120.400 -0.169 0.000 2.416 1253 D HA 0.080 4.720 4.640 0.001 0.000 0.240 1253 D C 0.851 176.963 176.300 -0.314 0.000 1.250 1253 D CA -0.111 53.770 54.000 -0.198 0.000 0.967 1253 D CB 1.380 42.091 40.800 -0.148 0.000 1.059 1253 D HN 0.341 nan 8.370 nan 0.000 0.512 1254 L N 2.074 122.986 121.223 -0.519 0.000 2.141 1254 L HA 0.075 4.415 4.340 0.001 0.000 0.209 1254 L C -0.103 175.853 176.870 -1.523 0.000 1.094 1254 L CA 1.509 55.739 54.840 -1.016 0.000 0.763 1254 L CB -0.024 41.365 42.059 -1.117 0.000 0.908 1254 L HN 0.115 nan 8.230 nan 0.000 0.437 1255 F N -1.754 117.771 119.950 -0.709 0.000 2.576 1255 F HA 0.538 5.064 4.527 -0.000 0.000 0.313 1255 F C -0.346 175.096 175.800 -0.596 0.000 1.078 1255 F CA -0.855 56.510 58.000 -1.058 0.000 0.921 1255 F CB 1.584 39.790 39.000 -1.323 0.000 1.232 1255 F HN 0.109 nan 8.300 nan 0.000 0.459 1256 H N -0.994 117.928 119.070 -0.247 0.000 3.024 1256 H HA 0.468 5.024 4.556 0.001 0.000 0.324 1256 H C -3.374 172.120 175.328 0.276 0.000 1.347 1256 H CA -2.662 53.410 56.048 0.040 0.000 1.182 1256 H CB 0.886 30.628 29.762 -0.033 0.000 1.889 1256 H HN 0.134 nan 8.280 nan 0.000 0.528 1257 P HA 0.110 nan 4.420 nan 0.000 0.262 1257 P C 1.071 178.557 177.300 0.311 0.000 1.182 1257 P CA 2.503 65.773 63.100 0.283 0.000 0.761 1257 P CB 0.601 32.408 31.700 0.179 0.000 0.795 1258 G N 2.584 111.516 108.800 0.221 0.000 2.299 1258 G HA2 -0.289 3.671 3.960 0.001 0.000 0.237 1258 G HA3 -0.289 3.671 3.960 0.001 0.000 0.237 1258 G C 0.106 175.101 174.900 0.158 0.000 1.027 1258 G CA -0.410 44.800 45.100 0.183 0.000 0.619 1258 G HN 0.538 nan 8.290 nan 0.000 0.513 1259 F N 2.991 122.908 119.950 -0.055 0.000 2.538 1259 F HA 0.501 5.028 4.527 0.000 0.000 0.371 1259 F C 1.666 177.515 175.800 0.082 0.000 1.087 1259 F CA 0.554 58.465 58.000 -0.150 0.000 1.250 1259 F CB 0.173 38.804 39.000 -0.616 0.000 1.110 1259 F HN 0.387 nan 8.300 nan 0.000 0.570 1260 L N 4.244 125.131 121.223 -0.559 0.000 3.976 1260 L HA -0.430 3.911 4.340 0.001 0.000 0.418 1260 L C 0.836 177.647 176.870 -0.099 0.000 1.177 1260 L CA 0.900 55.565 54.840 -0.290 0.000 0.968 1260 L CB -2.069 39.883 42.059 -0.177 0.000 1.933 1260 L HN 0.946 nan 8.230 nan 0.000 0.976 1261 N N -0.622 118.043 118.700 -0.059 0.000 2.741 1261 N HA -0.193 4.547 4.740 0.001 0.000 0.250 1261 N C 0.010 175.495 175.510 -0.041 0.000 1.115 1261 N CA 1.190 54.221 53.050 -0.031 0.000 0.724 1261 N CB -0.512 37.946 38.487 -0.048 0.000 1.090 1261 N HN 0.561 nan 8.380 nan 0.000 0.558 1262 S N -1.209 114.477 115.700 -0.024 0.000 2.462 1262 S HA 0.529 4.999 4.470 0.001 0.000 0.294 1262 S C 1.353 175.892 174.600 -0.101 0.000 1.144 1262 S CA 0.111 58.215 58.200 -0.158 0.000 1.088 1262 S CB 1.025 63.965 63.200 -0.433 0.000 1.009 1262 S HN 0.404 nan 8.310 nan 0.000 0.484 1263 S N 4.239 119.865 115.700 -0.123 0.000 2.428 1263 S HA 0.097 4.567 4.470 0.001 0.000 0.230 1263 S C 0.359 174.930 174.600 -0.048 0.000 1.014 1263 S CA 0.347 58.519 58.200 -0.046 0.000 0.957 1263 S CB -0.460 62.716 63.200 -0.039 0.000 0.784 1263 S HN 0.728 nan 8.310 nan 0.000 0.499 1264 N N -1.065 117.522 118.700 -0.189 0.000 2.416 1264 N HA 0.669 5.409 4.740 0.001 0.000 0.276 1264 N C -1.913 173.339 175.510 -0.431 0.000 1.261 1264 N CA -0.656 52.299 53.050 -0.159 0.000 0.790 1264 N CB 1.456 39.869 38.487 -0.124 0.000 1.554 1264 N HN 0.187 nan 8.380 nan 0.000 0.481 1265 Y N -0.245 120.014 120.300 -0.069 0.000 2.544 1265 Y HA 0.624 5.174 4.550 0.000 0.000 0.342 1265 Y C -0.295 175.533 175.900 -0.121 0.000 1.062 1265 Y CA -0.704 57.329 58.100 -0.112 0.000 1.023 1265 Y CB 2.073 40.481 38.460 -0.087 0.000 1.308 1265 Y HN 0.176 nan 8.280 nan 0.000 0.457 1266 R N 2.167 122.666 120.500 -0.000 0.000 2.716 1266 R HA 0.585 4.926 4.340 0.001 0.000 0.271 1266 R C -1.773 174.474 176.300 -0.087 0.000 1.028 1266 R CA -1.027 55.032 56.100 -0.069 0.000 0.883 1266 R CB 2.267 32.482 30.300 -0.142 0.000 1.250 1266 R HN 0.652 nan 8.270 nan 0.000 0.465 1267 I N -0.198 120.314 120.570 -0.097 0.000 6.624 1267 I HA -0.118 4.052 4.170 0.001 0.000 0.126 1267 I C -2.534 173.594 176.117 0.018 0.000 1.828 1267 I CA -0.436 60.850 61.300 -0.022 0.000 2.037 1267 I CB -1.808 36.176 38.000 -0.026 0.000 3.518 1267 I HN 0.482 nan 8.210 nan 0.000 0.169 1268 P HA 0.539 nan 4.420 nan 0.000 0.279 1268 P C -0.342 177.010 177.300 0.087 0.000 1.239 1268 P CA -0.042 63.090 63.100 0.053 0.000 0.789 1268 P CB 2.028 33.772 31.700 0.075 0.000 0.933 1269 A N 2.959 125.835 122.820 0.093 0.000 2.414 1269 A HA 0.737 5.058 4.320 0.001 0.000 0.306 1269 A C -1.623 176.076 177.584 0.191 0.000 1.054 1269 A CA -0.668 51.449 52.037 0.133 0.000 0.724 1269 A CB 1.231 20.296 19.000 0.109 0.000 1.267 1269 A HN 0.517 nan 8.150 nan 0.000 0.418 1270 L N 1.787 123.157 121.223 0.244 0.000 2.505 1270 L HA 0.864 5.204 4.340 0.001 0.000 0.266 1270 L C -1.872 175.217 176.870 0.365 0.000 0.954 1270 L CA -0.287 54.730 54.840 0.296 0.000 0.852 1270 L CB 1.591 43.817 42.059 0.277 0.000 1.282 1270 L HN 0.735 nan 8.230 nan 0.000 0.403 1271 F N 4.055 124.127 119.950 0.203 0.000 2.608 1271 F HA 0.507 5.032 4.527 -0.004 0.000 0.309 1271 F C -1.124 174.776 175.800 0.167 0.000 1.103 1271 F CA -0.646 57.462 58.000 0.180 0.000 0.954 1271 F CB 1.661 40.772 39.000 0.186 0.000 1.267 1271 F HN 0.497 nan 8.300 nan 0.000 0.444 1272 K N 4.244 124.417 120.400 -0.379 0.000 2.240 1272 K HA 0.390 4.710 4.320 0.001 0.000 0.271 1272 K C -0.186 176.312 176.600 -0.170 0.000 1.018 1272 K CA -0.364 55.822 56.287 -0.168 0.000 0.874 1272 K CB 1.144 33.555 32.500 -0.149 0.000 1.098 1272 K HN 0.828 nan 8.250 nan 0.000 0.458 1273 T N 0.468 115.103 114.554 0.135 0.000 2.788 1273 T HA 0.082 4.432 4.350 0.001 0.000 0.287 1273 T C 1.282 176.047 174.700 0.107 0.000 1.007 1273 T CA -0.350 61.894 62.100 0.240 0.000 1.005 1273 T CB 1.114 70.107 68.868 0.208 0.000 1.012 1273 T HN 0.735 nan 8.240 nan 0.000 0.530 1274 K N 0.199 120.676 120.400 0.129 0.000 2.103 1274 K HA -0.152 4.168 4.320 0.001 0.000 0.207 1274 K C 1.985 178.607 176.600 0.037 0.000 1.048 1274 K CA 1.707 58.038 56.287 0.073 0.000 0.930 1274 K CB -0.133 32.414 32.500 0.079 0.000 0.716 1274 K HN 0.741 nan 8.250 nan 0.000 0.444 1275 E N -1.249 118.972 120.200 0.036 0.000 2.482 1275 E HA -0.023 4.327 4.350 0.001 0.000 0.196 1275 E C 0.798 177.399 176.600 0.001 0.000 1.047 1275 E CA 0.492 56.900 56.400 0.013 0.000 0.869 1275 E CB 0.284 29.988 29.700 0.007 0.000 0.836 1275 E HN 0.627 nan 8.360 nan 0.000 0.520 1276 G N 1.474 110.276 108.800 0.004 0.000 2.175 1276 G HA2 -0.236 3.724 3.960 0.001 0.000 0.244 1276 G HA3 -0.236 3.724 3.960 0.001 0.000 0.244 1276 G C 0.419 175.303 174.900 -0.028 0.000 0.982 1276 G CA 0.296 45.387 45.100 -0.016 0.000 0.641 1276 G HN 0.222 nan 8.290 nan 0.000 0.527 1277 T N 1.740 116.290 114.554 -0.006 0.000 2.884 1277 T HA 0.543 4.894 4.350 0.001 0.000 0.298 1277 T C 0.749 175.454 174.700 0.009 0.000 0.998 1277 T CA -0.012 62.076 62.100 -0.020 0.000 1.124 1277 T CB 1.164 70.040 68.868 0.014 0.000 0.931 1277 T HN 0.324 nan 8.240 nan 0.000 0.531 1278 L N 4.034 125.215 121.223 -0.070 0.000 2.292 1278 L HA 0.530 4.870 4.340 0.001 0.000 0.284 1278 L C -0.074 176.902 176.870 0.177 0.000 1.065 1278 L CA -0.612 54.240 54.840 0.021 0.000 0.806 1278 L CB 0.722 42.709 42.059 -0.121 0.000 1.175 1278 L HN 0.477 nan 8.230 nan 0.000 0.431 1279 I N 2.803 123.570 120.570 0.328 0.000 2.378 1279 I HA 0.554 4.725 4.170 0.001 0.000 0.291 1279 I C -0.036 176.329 176.117 0.413 0.000 0.992 1279 I CA -0.413 61.129 61.300 0.403 0.000 1.154 1279 I CB 1.962 40.213 38.000 0.418 0.000 1.315 1279 I HN 0.640 nan 8.210 nan 0.000 0.448 1280 A N 4.649 127.709 122.820 0.399 0.000 2.330 1280 A HA 0.739 5.060 4.320 0.001 0.000 0.313 1280 A C -0.593 177.152 177.584 0.269 0.000 1.124 1280 A CA -0.425 51.785 52.037 0.289 0.000 0.774 1280 A CB 1.699 20.758 19.000 0.098 0.000 1.198 1280 A HN 0.595 nan 8.150 nan 0.000 0.465 1281 S N 1.016 116.805 115.700 0.148 0.000 2.607 1281 S HA 0.894 5.364 4.470 0.001 0.000 0.303 1281 S C -0.953 173.558 174.600 -0.149 0.000 1.086 1281 S CA -0.368 57.826 58.200 -0.010 0.000 0.995 1281 S CB 1.011 64.191 63.200 -0.035 0.000 1.084 1281 S HN 1.171 nan 8.310 nan 0.000 0.507 1282 I N 1.577 121.974 120.570 -0.288 0.000 2.947 1282 I HA 0.376 4.546 4.170 0.001 0.000 0.301 1282 I C -1.959 174.025 176.117 -0.223 0.000 1.453 1282 I CA -0.399 60.684 61.300 -0.361 0.000 0.984 1282 I CB 2.241 39.650 38.000 -0.985 0.000 1.333 1282 I HN 0.527 nan 8.210 nan 0.000 0.475 1283 D N 4.617 124.931 120.400 -0.144 0.000 2.317 1283 D HA 0.569 5.209 4.640 0.001 0.000 0.252 1283 D C -0.339 175.853 176.300 -0.180 0.000 1.174 1283 D CA 0.229 54.156 54.000 -0.122 0.000 0.866 1283 D CB 1.429 42.171 40.800 -0.096 0.000 1.127 1283 D HN 0.621 nan 8.370 nan 0.000 0.467 1284 A N 4.433 127.109 122.820 -0.240 0.000 2.415 1284 A HA 0.246 4.567 4.320 0.001 0.000 0.309 1284 A C 0.287 177.628 177.584 -0.406 0.000 1.356 1284 A CA -0.548 51.177 52.037 -0.521 0.000 0.998 1284 A CB 0.029 18.844 19.000 -0.308 0.000 1.145 1284 A HN 0.390 nan 8.150 nan 0.000 0.545 1285 R N 2.587 122.821 120.500 -0.443 0.000 2.196 1285 R HA 0.260 4.600 4.340 0.001 0.000 0.340 1285 R C 0.240 176.356 176.300 -0.308 0.000 1.043 1285 R CA -0.661 55.271 56.100 -0.279 0.000 0.883 1285 R CB 1.041 31.224 30.300 -0.197 0.000 1.078 1285 R HN 0.606 nan 8.270 nan 0.000 0.462 1286 R N 1.016 121.313 120.500 -0.337 0.000 2.210 1286 R HA 0.033 4.374 4.340 0.001 0.000 0.203 1286 R C 0.304 176.304 176.300 -0.500 0.000 1.010 1286 R CA 0.794 56.614 56.100 -0.465 0.000 1.008 1286 R CB 0.303 30.237 30.300 -0.610 0.000 0.923 1286 R HN 0.544 nan 8.270 nan 0.000 0.469 1287 H N -0.232 118.795 119.070 -0.071 0.000 2.551 1287 H HA 0.401 4.957 4.556 0.001 0.000 0.238 1287 H C 0.749 176.045 175.328 -0.053 0.000 1.345 1287 H CA 0.349 56.366 56.048 -0.053 0.000 1.105 1287 H CB 0.403 30.141 29.762 -0.039 0.000 1.805 1287 H HN 0.332 nan 8.280 nan 0.000 0.553 1288 G N -0.147 108.659 108.800 0.009 0.000 2.582 1288 G HA2 -0.189 3.772 3.960 0.001 0.000 0.222 1288 G HA3 -0.189 3.772 3.960 0.001 0.000 0.222 1288 G C 0.807 175.679 174.900 -0.046 0.000 1.311 1288 G CA -0.319 44.773 45.100 -0.013 0.000 0.915 1288 G HN 0.474 nan 8.290 nan 0.000 0.528 1289 G N -0.009 108.765 108.800 -0.045 0.000 3.126 1289 G HA2 0.658 4.619 3.960 0.001 0.000 0.224 1289 G HA3 0.658 4.619 3.960 0.001 0.000 0.224 1289 G C 0.910 175.776 174.900 -0.056 0.000 1.142 1289 G CA 1.516 46.579 45.100 -0.062 0.000 0.759 1289 G HN 1.930 nan 8.290 nan 0.000 0.550 1290 A N 1.299 124.098 122.820 -0.034 0.000 2.406 1290 A HA 0.466 4.786 4.320 0.001 0.000 0.243 1290 A C 0.508 178.077 177.584 -0.025 0.000 1.082 1290 A CA -0.111 51.910 52.037 -0.025 0.000 0.786 1290 A CB 0.248 19.240 19.000 -0.012 0.000 1.029 1290 A HN 0.380 nan 8.150 nan 0.000 0.495 1291 D N 0.555 120.944 120.400 -0.018 0.000 2.371 1291 D HA 0.415 5.055 4.640 0.001 0.000 0.242 1291 D C 0.435 176.729 176.300 -0.010 0.000 1.218 1291 D CA 0.219 54.212 54.000 -0.011 0.000 0.945 1291 D CB 0.455 41.249 40.800 -0.011 0.000 1.137 1291 D HN 0.703 nan 8.370 nan 0.000 0.464 1292 A N 0.876 123.689 122.820 -0.013 0.000 2.520 1292 A HA 0.294 4.615 4.320 0.001 0.000 0.235 1292 A C -1.438 176.061 177.584 -0.141 0.000 1.065 1292 A CA -0.721 51.275 52.037 -0.069 0.000 0.764 1292 A CB -0.093 18.859 19.000 -0.079 0.000 1.002 1292 A HN 0.674 nan 8.150 nan 0.000 0.502 1293 P HA 0.035 nan 4.420 nan 0.000 0.261 1293 P C -0.181 177.093 177.300 -0.044 0.000 1.268 1293 P CA 0.322 63.361 63.100 -0.101 0.000 0.833 1293 P CB -0.243 31.367 31.700 -0.150 0.000 1.231 1294 N N 0.797 119.479 118.700 -0.030 0.000 2.843 1294 N HA 0.107 4.847 4.740 0.001 0.000 0.284 1294 N C 0.040 175.561 175.510 0.018 0.000 1.274 1294 N CA -0.077 52.965 53.050 -0.014 0.000 1.045 1294 N CB -0.197 38.278 38.487 -0.019 0.000 1.370 1294 N HN 0.079 nan 8.380 nan 0.000 0.525 1295 N N -0.183 118.544 118.700 0.046 0.000 3.261 1295 N HA 0.133 4.873 4.740 0.001 0.000 0.248 1295 N C -2.300 173.291 175.510 0.134 0.000 1.498 1295 N CA -0.454 52.653 53.050 0.095 0.000 0.884 1295 N CB 1.441 39.949 38.487 0.035 0.000 1.428 1295 N HN -0.066 nan 8.380 nan 0.000 0.517 1296 D N 1.352 121.823 120.400 0.119 0.000 2.473 1296 D HA 0.475 5.115 4.640 0.001 0.000 0.253 1296 D C -0.952 175.320 176.300 -0.047 0.000 1.233 1296 D CA -0.123 53.917 54.000 0.066 0.000 0.908 1296 D CB 0.563 41.420 40.800 0.096 0.000 1.170 1296 D HN 0.432 nan 8.370 nan 0.000 0.558 1297 I N 2.670 123.248 120.570 0.013 0.000 2.433 1297 I HA 0.334 4.504 4.170 0.001 0.000 0.292 1297 I C -0.186 175.939 176.117 0.012 0.000 1.001 1297 I CA -0.816 60.469 61.300 -0.024 0.000 1.119 1297 I CB 1.949 39.952 38.000 0.006 0.000 1.289 1297 I HN 0.091 nan 8.210 nan 0.000 0.438 1298 D N 3.430 123.799 120.400 -0.051 0.000 2.374 1298 D HA 0.432 5.072 4.640 0.001 0.000 0.239 1298 D C -0.516 175.744 176.300 -0.066 0.000 0.991 1298 D CA -0.373 53.602 54.000 -0.040 0.000 0.960 1298 D CB 2.139 42.895 40.800 -0.074 0.000 1.284 1298 D HN 0.317 nan 8.370 nan 0.000 0.512 1299 T N 0.450 114.962 114.554 -0.071 0.000 2.795 1299 T HA 0.677 5.027 4.350 0.001 0.000 0.282 1299 T C -0.320 174.312 174.700 -0.114 0.000 0.980 1299 T CA -0.528 61.509 62.100 -0.106 0.000 1.012 1299 T CB 1.261 70.050 68.868 -0.132 0.000 0.936 1299 T HN 0.417 nan 8.240 nan 0.000 0.457 1300 A N 2.799 125.555 122.820 -0.107 0.000 2.374 1300 A HA 0.861 5.182 4.320 0.001 0.000 0.317 1300 A C -0.911 176.655 177.584 -0.031 0.000 1.094 1300 A CA -0.652 51.370 52.037 -0.025 0.000 0.765 1300 A CB 1.347 20.416 19.000 0.115 0.000 1.268 1300 A HN 0.659 nan 8.150 nan 0.000 0.438 1301 V N 2.030 122.001 119.914 0.094 0.000 2.709 1301 V HA 0.564 4.684 4.120 0.001 0.000 0.308 1301 V C -0.176 176.126 176.094 0.346 0.000 1.062 1301 V CA -0.609 61.798 62.300 0.179 0.000 0.901 1301 V CB 1.939 33.801 31.823 0.065 0.000 1.003 1301 V HN 0.991 nan 8.190 nan 0.000 0.425 1302 R N 3.053 123.792 120.500 0.398 0.000 2.778 1302 R HA 0.767 5.107 4.340 0.001 0.000 0.277 1302 R C -0.896 175.675 176.300 0.451 0.000 0.977 1302 R CA -0.948 55.360 56.100 0.346 0.000 0.950 1302 R CB 2.745 33.094 30.300 0.083 0.000 1.165 1302 R HN 0.617 nan 8.270 nan 0.000 0.474 1303 R N 0.193 120.946 120.500 0.422 0.000 2.740 1303 R HA 0.407 4.747 4.340 0.001 0.000 0.282 1303 R C -0.920 175.420 176.300 0.068 0.000 0.969 1303 R CA -0.657 55.613 56.100 0.284 0.000 0.918 1303 R CB 2.356 32.762 30.300 0.177 0.000 1.175 1303 R HN 0.410 nan 8.270 nan 0.000 0.464 1304 S N 0.781 116.267 115.700 -0.357 0.000 2.561 1304 S HA 0.196 4.666 4.470 0.001 0.000 0.303 1304 S C -0.113 174.255 174.600 -0.388 0.000 1.110 1304 S CA -0.658 57.118 58.200 -0.707 0.000 1.034 1304 S CB 1.194 63.377 63.200 -1.695 0.000 1.010 1304 S HN 0.687 nan 8.310 nan 0.000 0.482 1305 E N 2.143 122.188 120.200 -0.258 0.000 2.476 1305 E HA 0.071 4.421 4.350 0.001 0.000 0.196 1305 E C -0.434 176.069 176.600 -0.161 0.000 1.029 1305 E CA 0.083 56.386 56.400 -0.162 0.000 0.896 1305 E CB 0.258 29.901 29.700 -0.096 0.000 1.012 1305 E HN 0.715 nan 8.360 nan 0.000 0.475 1306 D N -0.742 119.524 120.400 -0.224 0.000 2.720 1306 D HA 0.136 4.776 4.640 0.001 0.000 0.285 1306 D C 0.884 177.080 176.300 -0.173 0.000 1.359 1306 D CA -0.371 53.529 54.000 -0.166 0.000 0.818 1306 D CB 0.225 40.944 40.800 -0.136 0.000 1.108 1306 D HN 0.072 nan 8.370 nan 0.000 0.474 1307 G N -0.258 108.424 108.800 -0.198 0.000 2.176 1307 G HA2 -0.008 3.953 3.960 0.001 0.000 0.252 1307 G HA3 -0.008 3.953 3.960 0.001 0.000 0.252 1307 G C 1.143 175.947 174.900 -0.160 0.000 1.024 1307 G CA 0.368 45.384 45.100 -0.140 0.000 0.755 1307 G HN 1.477 nan 8.290 nan 0.000 0.507 1308 G N -1.399 107.146 108.800 -0.425 0.000 2.175 1308 G HA2 -0.232 3.728 3.960 0.001 0.000 0.244 1308 G HA3 -0.232 3.728 3.960 0.001 0.000 0.244 1308 G C 1.208 175.990 174.900 -0.197 0.000 0.982 1308 G CA 1.139 45.951 45.100 -0.479 0.000 0.641 1308 G HN 0.737 nan 8.290 nan 0.000 0.527 1309 K N 0.441 120.727 120.400 -0.189 0.000 2.116 1309 K HA 0.131 4.451 4.320 0.001 0.000 0.203 1309 K C 1.492 178.061 176.600 -0.051 0.000 1.052 1309 K CA 1.741 58.004 56.287 -0.041 0.000 0.952 1309 K CB -0.245 32.233 32.500 -0.036 0.000 0.729 1309 K HN 0.900 nan 8.250 nan 0.000 0.446 1310 T N -2.506 111.919 114.554 -0.215 0.000 2.906 1310 T HA 0.596 4.946 4.350 0.001 0.000 0.295 1310 T C -1.158 173.351 174.700 -0.319 0.000 1.061 1310 T CA -0.933 61.095 62.100 -0.120 0.000 1.000 1310 T CB 1.522 70.358 68.868 -0.053 0.000 1.103 1310 T HN 0.074 nan 8.240 nan 0.000 0.486 1311 W N 1.276 122.527 121.300 -0.081 0.000 2.864 1311 W HA 0.507 5.168 4.660 0.001 0.000 0.343 1311 W C -0.052 176.448 176.519 -0.031 0.000 1.109 1311 W CA -0.575 56.714 57.345 -0.093 0.000 1.192 1311 W CB 1.314 30.661 29.460 -0.189 0.000 1.426 1311 W HN 0.947 nan 8.180 nan 0.000 0.529 1312 D N 0.075 120.623 120.400 0.245 0.000 2.393 1312 D HA -0.005 4.635 4.640 0.001 0.000 0.246 1312 D C 0.709 177.154 176.300 0.242 0.000 1.275 1312 D CA 0.052 54.166 54.000 0.190 0.000 0.979 1312 D CB 0.662 41.556 40.800 0.157 0.000 1.101 1312 D HN 0.377 nan 8.370 nan 0.000 0.505 1313 E N -0.897 119.421 120.200 0.196 0.000 2.502 1313 E HA 0.212 4.562 4.350 0.001 0.000 0.194 1313 E C 0.817 177.546 176.600 0.216 0.000 1.062 1313 E CA 0.723 57.242 56.400 0.198 0.000 0.867 1313 E CB -0.521 29.226 29.700 0.078 0.000 0.888 1313 E HN 0.696 nan 8.360 nan 0.000 0.510 1314 G N 2.101 111.070 108.800 0.282 0.000 2.733 1314 G HA2 -0.196 3.765 3.960 0.001 0.000 0.686 1314 G HA3 -0.196 3.765 3.960 0.001 0.000 0.686 1314 G C -0.567 174.428 174.900 0.158 0.000 1.373 1314 G CA -0.177 45.117 45.100 0.322 0.000 0.838 1314 G HN 0.206 nan 8.290 nan 0.000 0.588 1315 Q N -0.394 119.507 119.800 0.168 0.000 2.377 1315 Q HA 0.715 5.056 4.340 0.001 0.000 0.279 1315 Q C -0.733 175.299 176.000 0.053 0.000 1.049 1315 Q CA -1.349 54.507 55.803 0.088 0.000 0.825 1315 Q CB 1.955 30.760 28.738 0.110 0.000 1.401 1315 Q HN 0.619 nan 8.270 nan 0.000 0.404 1316 I N 3.834 124.407 120.570 0.005 0.000 2.371 1316 I HA 0.159 4.329 4.170 0.001 0.000 0.290 1316 I C 1.023 177.100 176.117 -0.068 0.000 1.028 1316 I CA -0.371 60.907 61.300 -0.036 0.000 1.345 1316 I CB 0.868 38.840 38.000 -0.047 0.000 1.407 1316 I HN 0.891 nan 8.210 nan 0.000 0.501 1317 I N 2.727 123.219 120.570 -0.131 0.000 4.181 1317 I HA 0.359 4.529 4.170 0.001 0.000 0.331 1317 I C 0.291 176.308 176.117 -0.167 0.000 1.312 1317 I CA 0.312 61.508 61.300 -0.173 0.000 1.146 1317 I CB 0.531 38.294 38.000 -0.394 0.000 1.074 1317 I HN 0.358 nan 8.210 nan 0.000 0.402 1318 M N 1.688 121.194 119.600 -0.158 0.000 2.322 1318 M HA 0.428 4.908 4.480 0.001 0.000 0.286 1318 M C -2.064 174.146 176.300 -0.150 0.000 1.111 1318 M CA -0.424 54.772 55.300 -0.174 0.000 0.941 1318 M CB 2.710 35.246 32.600 -0.106 0.000 1.671 1318 M HN -0.009 nan 8.290 nan 0.000 0.470 1319 D N 2.646 122.890 120.400 -0.260 0.000 2.764 1319 D HA 0.343 4.983 4.640 0.001 0.000 0.227 1319 D C -2.080 174.042 176.300 -0.296 0.000 1.347 1319 D CA -0.068 53.835 54.000 -0.161 0.000 0.953 1319 D CB 1.119 41.846 40.800 -0.121 0.000 1.476 1319 D HN 0.373 nan 8.370 nan 0.000 0.585 1320 Y N 2.632 122.920 120.300 -0.020 0.000 2.496 1320 Y HA 0.581 5.131 4.550 -0.000 0.000 0.331 1320 Y C -1.611 174.309 175.900 0.033 0.000 1.140 1320 Y CA -1.570 56.536 58.100 0.011 0.000 1.166 1320 Y CB 1.583 40.092 38.460 0.081 0.000 1.249 1320 Y HN 0.198 nan 8.280 nan 0.000 0.479 1321 P HA 0.086 nan 4.420 nan 0.000 0.278 1321 P C -0.626 176.751 177.300 0.130 0.000 1.258 1321 P CA -0.218 62.951 63.100 0.116 0.000 0.811 1321 P CB 0.964 32.706 31.700 0.071 0.000 1.063 1322 D N 0.556 121.014 120.400 0.097 0.000 2.699 1322 D HA -0.191 4.450 4.640 0.001 0.000 0.239 1322 D C -0.126 176.231 176.300 0.096 0.000 1.136 1322 D CA 1.182 55.231 54.000 0.082 0.000 0.668 1322 D CB -1.543 39.294 40.800 0.062 0.000 1.060 1322 D HN 0.618 nan 8.370 nan 0.000 0.429 1323 K N -2.146 118.326 120.400 0.121 0.000 3.391 1323 K HA -0.240 4.081 4.320 0.001 0.000 0.307 1323 K C -0.065 176.613 176.600 0.130 0.000 1.304 1323 K CA 0.953 57.312 56.287 0.121 0.000 0.904 1323 K CB -1.870 30.679 32.500 0.082 0.000 1.293 1323 K HN 0.385 nan 8.250 nan 0.000 0.470 1324 S N 0.865 116.663 115.700 0.165 0.000 2.528 1324 S HA 0.362 4.832 4.470 0.001 0.000 0.277 1324 S C -0.118 174.628 174.600 0.243 0.000 1.297 1324 S CA -0.312 58.005 58.200 0.194 0.000 1.052 1324 S CB 1.009 64.345 63.200 0.227 0.000 0.917 1324 S HN 0.247 nan 8.310 nan 0.000 0.492 1325 S N 2.657 118.508 115.700 0.251 0.000 2.536 1325 S HA 0.638 5.108 4.470 0.001 0.000 0.298 1325 S C -0.716 174.082 174.600 0.331 0.000 1.083 1325 S CA -0.789 57.569 58.200 0.263 0.000 0.995 1325 S CB 1.660 64.993 63.200 0.221 0.000 1.058 1325 S HN 0.822 nan 8.310 nan 0.000 0.488 1326 V N 1.619 121.690 119.914 0.262 0.000 2.398 1326 V HA 0.754 4.874 4.120 0.001 0.000 0.286 1326 V C -0.391 175.789 176.094 0.143 0.000 1.026 1326 V CA -0.607 61.814 62.300 0.203 0.000 0.868 1326 V CB 0.897 32.816 31.823 0.161 0.000 0.982 1326 V HN 0.861 nan 8.190 nan 0.000 0.443 1327 I N 3.237 123.899 120.570 0.154 0.000 2.607 1327 I HA 0.615 4.786 4.170 0.001 0.000 0.290 1327 I C -1.617 174.581 176.117 0.135 0.000 1.129 1327 I CA 0.039 61.427 61.300 0.147 0.000 1.042 1327 I CB 1.719 39.854 38.000 0.225 0.000 1.242 1327 I HN 0.895 nan 8.210 nan 0.000 0.421 1328 D N 4.286 124.744 120.400 0.098 0.000 4.535 1328 D HA -0.105 4.535 4.640 0.001 0.000 0.236 1328 D C -0.459 175.887 176.300 0.078 0.000 1.142 1328 D CA 1.128 55.198 54.000 0.117 0.000 1.102 1328 D CB -0.492 40.428 40.800 0.200 0.000 0.703 1328 D HN 0.781 nan 8.370 nan 0.000 0.331 1329 T N -1.055 113.527 114.554 0.048 0.000 2.943 1329 T HA 0.795 5.145 4.350 0.001 0.000 0.284 1329 T C 0.198 174.923 174.700 0.042 0.000 1.015 1329 T CA -0.542 61.569 62.100 0.019 0.000 1.042 1329 T CB 2.801 71.653 68.868 -0.027 0.000 1.055 1329 T HN 0.303 nan 8.240 nan 0.000 0.500 1330 T N 0.950 115.522 114.554 0.031 0.000 2.916 1330 T HA 0.626 4.976 4.350 0.001 0.000 0.305 1330 T C -1.531 173.199 174.700 0.050 0.000 1.119 1330 T CA -0.796 61.337 62.100 0.054 0.000 1.008 1330 T CB 0.932 69.832 68.868 0.052 0.000 1.129 1330 T HN 0.659 nan 8.240 nan 0.000 0.480 1331 L N 4.079 125.339 121.223 0.062 0.000 2.362 1331 L HA 0.873 5.213 4.340 0.001 0.000 0.271 1331 L C -0.974 175.774 176.870 -0.204 0.000 1.002 1331 L CA -1.062 53.762 54.840 -0.026 0.000 0.818 1331 L CB 2.015 44.084 42.059 0.016 0.000 1.298 1331 L HN 0.609 nan 8.230 nan 0.000 0.420 1332 I N 1.729 122.105 120.570 -0.323 0.000 2.882 1332 I HA 0.334 4.504 4.170 0.001 0.000 0.298 1332 I C -1.430 174.549 176.117 -0.230 0.000 1.462 1332 I CA -0.131 60.938 61.300 -0.384 0.000 1.000 1332 I CB 2.392 40.434 38.000 0.069 0.000 1.340 1332 I HN 0.693 nan 8.210 nan 0.000 0.462 1333 Q N 3.754 123.471 119.800 -0.138 0.000 2.377 1333 Q HA 0.433 4.773 4.340 0.001 0.000 0.271 1333 Q C -1.554 174.606 176.000 0.267 0.000 1.077 1333 Q CA -0.741 55.142 55.803 0.133 0.000 0.820 1333 Q CB 1.692 30.557 28.738 0.211 0.000 1.347 1333 Q HN 0.608 nan 8.270 nan 0.000 0.444 1334 D N 2.227 122.800 120.400 0.288 0.000 2.365 1334 D HA 0.064 4.705 4.640 0.001 0.000 0.237 1334 D C -0.146 176.246 176.300 0.154 0.000 1.190 1334 D CA -0.043 54.100 54.000 0.239 0.000 0.867 1334 D CB 1.040 42.016 40.800 0.294 0.000 1.050 1334 D HN 0.531 nan 8.370 nan 0.000 0.491 1335 D N 2.976 123.461 120.400 0.142 0.000 2.264 1335 D HA -0.126 4.514 4.640 0.001 0.000 0.208 1335 D C 1.236 177.579 176.300 0.072 0.000 0.966 1335 D CA 0.828 54.893 54.000 0.109 0.000 0.864 1335 D CB 0.415 41.278 40.800 0.106 0.000 0.933 1335 D HN 0.648 nan 8.370 nan 0.000 0.499 1336 E N -0.394 119.847 120.200 0.067 0.000 2.152 1336 E HA -0.083 4.268 4.350 0.001 0.000 0.192 1336 E C 1.940 178.560 176.600 0.033 0.000 0.983 1336 E CA 1.363 57.789 56.400 0.043 0.000 0.818 1336 E CB 0.164 29.887 29.700 0.037 0.000 0.758 1336 E HN 0.315 nan 8.360 nan 0.000 0.467 1337 T N -4.352 110.225 114.554 0.039 0.000 2.971 1337 T HA 0.307 4.658 4.350 0.001 0.000 0.252 1337 T C 1.567 176.268 174.700 0.002 0.000 1.022 1337 T CA 0.354 62.464 62.100 0.016 0.000 0.980 1337 T CB 0.926 69.802 68.868 0.014 0.000 1.044 1337 T HN 0.234 nan 8.240 nan 0.000 0.501 1338 G N 1.935 110.746 108.800 0.018 0.000 2.159 1338 G HA2 -0.286 3.674 3.960 0.001 0.000 0.256 1338 G HA3 -0.286 3.674 3.960 0.001 0.000 0.256 1338 G C 0.089 174.963 174.900 -0.044 0.000 0.977 1338 G CA 0.136 45.239 45.100 0.005 0.000 0.652 1338 G HN 0.863 nan 8.290 nan 0.000 0.531 1339 R N 0.281 120.731 120.500 -0.083 0.000 2.389 1339 R HA 0.596 4.936 4.340 0.001 0.000 0.295 1339 R C 0.184 176.293 176.300 -0.318 0.000 1.075 1339 R CA -0.487 55.462 56.100 -0.251 0.000 1.005 1339 R CB 0.171 30.242 30.300 -0.381 0.000 0.987 1339 R HN 0.262 nan 8.270 nan 0.000 0.452 1340 I N 5.237 125.604 120.570 -0.338 0.000 2.359 1340 I HA 0.274 4.444 4.170 0.001 0.000 0.294 1340 I C -0.672 175.292 176.117 -0.256 0.000 0.987 1340 I CA -0.547 60.627 61.300 -0.211 0.000 1.225 1340 I CB 1.139 39.072 38.000 -0.112 0.000 1.366 1340 I HN 0.482 nan 8.210 nan 0.000 0.466 1341 F N 6.266 126.325 119.950 0.182 0.000 2.450 1341 F HA 0.603 5.127 4.527 -0.005 0.000 0.332 1341 F C -0.207 175.720 175.800 0.211 0.000 1.093 1341 F CA -0.727 57.429 58.000 0.260 0.000 1.003 1341 F CB 1.592 40.725 39.000 0.223 0.000 1.151 1341 F HN 0.252 nan 8.300 nan 0.000 0.474 1342 L N 4.634 126.094 121.223 0.395 0.000 2.376 1342 L HA 0.691 5.032 4.340 0.001 0.000 0.275 1342 L C -1.794 175.125 176.870 0.083 0.000 0.987 1342 L CA -0.622 54.300 54.840 0.137 0.000 0.828 1342 L CB 1.159 43.153 42.059 -0.109 0.000 1.249 1342 L HN 0.542 nan 8.230 nan 0.000 0.409 1343 L N 5.427 126.659 121.223 0.015 0.000 2.333 1343 L HA 0.810 5.150 4.340 0.001 0.000 0.269 1343 L C -0.523 176.318 176.870 -0.047 0.000 1.010 1343 L CA -0.626 54.182 54.840 -0.054 0.000 0.818 1343 L CB 2.000 43.963 42.059 -0.160 0.000 1.306 1343 L HN 0.415 nan 8.230 nan 0.000 0.430 1344 V N -0.316 119.567 119.914 -0.052 0.000 3.178 1344 V HA 0.568 4.689 4.120 0.001 0.000 0.302 1344 V C -0.782 175.291 176.094 -0.035 0.000 1.262 1344 V CA -0.343 61.944 62.300 -0.022 0.000 1.030 1344 V CB 2.943 34.762 31.823 -0.006 0.000 1.074 1344 V HN 0.807 nan 8.190 nan 0.000 0.438 1345 T N 4.271 118.812 114.554 -0.021 0.000 2.889 1345 T HA 0.425 4.775 4.350 0.001 0.000 0.291 1345 T C -0.713 173.945 174.700 -0.069 0.000 0.995 1345 T CA 0.041 62.072 62.100 -0.115 0.000 1.092 1345 T CB 0.162 68.973 68.868 -0.095 0.000 0.954 1345 T HN 0.743 nan 8.240 nan 0.000 0.506 1346 H N 2.112 120.998 119.070 -0.307 0.000 2.589 1346 H HA 0.500 5.056 4.556 0.001 0.000 0.351 1346 H C -1.600 173.504 175.328 -0.373 0.000 1.074 1346 H CA -0.938 54.959 56.048 -0.251 0.000 1.203 1346 H CB 0.807 30.438 29.762 -0.219 0.000 1.558 1346 H HN 0.474 nan 8.280 nan 0.000 0.522 1347 F N 4.710 124.474 119.950 -0.308 0.000 2.532 1347 F HA 0.354 4.882 4.527 0.002 0.000 0.321 1347 F C -2.119 173.442 175.800 -0.398 0.000 1.089 1347 F CA -2.184 55.654 58.000 -0.270 0.000 0.926 1347 F CB 1.802 40.806 39.000 0.006 0.000 1.168 1347 F HN 0.473 nan 8.300 nan 0.000 0.459 1348 P HA 0.004 nan 4.420 nan 0.000 0.271 1348 P C -0.375 177.058 177.300 0.222 0.000 1.233 1348 P CA -0.246 62.882 63.100 0.047 0.000 0.789 1348 P CB 0.623 32.389 31.700 0.109 0.000 0.951 1349 S N 1.301 117.106 115.700 0.175 0.000 2.558 1349 S HA -0.040 4.431 4.470 0.001 0.000 0.293 1349 S C 0.509 175.182 174.600 0.121 0.000 1.292 1349 S CA 0.655 58.936 58.200 0.134 0.000 1.063 1349 S CB -0.858 62.401 63.200 0.098 0.000 0.831 1349 S HN 0.497 nan 8.310 nan 0.000 0.499 1350 K N 0.944 121.322 120.400 -0.037 0.000 3.573 1350 K HA -0.183 4.137 4.320 0.001 0.000 0.280 1350 K C -0.921 175.336 176.600 -0.572 0.000 1.257 1350 K CA 1.102 57.213 56.287 -0.294 0.000 0.990 1350 K CB -1.640 30.631 32.500 -0.382 0.000 1.297 1350 K HN 0.634 nan 8.250 nan 0.000 0.488 1351 Y N 0.159 120.431 120.300 -0.046 0.000 2.487 1351 Y HA 0.676 5.227 4.550 0.001 0.000 0.337 1351 Y C 1.014 176.627 175.900 -0.479 0.000 1.076 1351 Y CA 0.039 58.068 58.100 -0.117 0.000 1.115 1351 Y CB 2.540 41.033 38.460 0.055 0.000 1.235 1351 Y HN 0.127 nan 8.280 nan 0.000 0.468 1352 G N 0.355 108.802 108.800 -0.589 0.000 2.650 1352 G HA2 0.138 4.098 3.960 0.001 0.000 0.310 1352 G HA3 0.138 4.098 3.960 0.001 0.000 0.310 1352 G C -0.419 174.024 174.900 -0.761 0.000 1.270 1352 G CA -0.698 43.590 45.100 -1.352 0.000 0.810 1352 G HN 0.563 nan 8.290 nan 0.000 0.493 1353 F N -0.323 119.235 119.950 -0.654 0.000 2.120 1353 F HA -0.086 4.442 4.527 0.000 0.000 0.300 1353 F C 2.012 177.557 175.800 -0.426 0.000 1.095 1353 F CA 2.235 59.901 58.000 -0.557 0.000 1.249 1353 F CB -0.024 38.429 39.000 -0.912 0.000 0.995 1353 F HN 0.435 nan 8.300 nan 0.000 0.480 1354 W N 0.349 121.604 121.300 -0.074 0.000 2.518 1354 W HA -0.055 4.606 4.660 0.002 0.000 0.273 1354 W C 1.658 178.105 176.519 -0.119 0.000 1.247 1354 W CA 0.737 58.022 57.345 -0.099 0.000 1.288 1354 W CB -0.283 29.202 29.460 0.042 0.000 1.107 1354 W HN 0.186 nan 8.180 nan 0.000 0.586 1355 N N 0.010 118.776 118.700 0.109 0.000 2.200 1355 N HA 0.198 4.938 4.740 0.001 0.000 0.224 1355 N C -0.014 175.603 175.510 0.179 0.000 1.179 1355 N CA -0.020 53.101 53.050 0.118 0.000 0.877 1355 N CB -0.711 37.821 38.487 0.076 0.000 1.072 1355 N HN -0.150 nan 8.380 nan 0.000 0.519 1356 A N 0.444 123.336 122.820 0.121 0.000 2.546 1356 A HA 0.526 4.847 4.320 0.001 0.000 0.243 1356 A C 0.992 178.601 177.584 0.042 0.000 1.063 1356 A CA 0.199 52.325 52.037 0.149 0.000 0.757 1356 A CB -0.427 18.697 19.000 0.206 0.000 0.991 1356 A HN 0.405 nan 8.150 nan 0.000 0.503 1357 G N 0.862 109.644 108.800 -0.030 0.000 2.599 1357 G HA2 0.462 4.422 3.960 0.001 0.000 0.264 1357 G HA3 0.462 4.422 3.960 0.001 0.000 0.264 1357 G C -0.012 174.835 174.900 -0.088 0.000 1.200 1357 G CA -0.859 44.202 45.100 -0.066 0.000 0.896 1357 G HN 0.769 nan 8.290 nan 0.000 0.536 1358 L N 1.038 122.221 121.223 -0.067 0.000 2.416 1358 L HA 0.481 4.821 4.340 0.001 0.000 0.272 1358 L C 1.163 177.977 176.870 -0.093 0.000 1.161 1358 L CA 1.238 56.039 54.840 -0.064 0.000 0.845 1358 L CB 0.389 42.438 42.059 -0.017 0.000 1.119 1358 L HN 1.124 nan 8.230 nan 0.000 0.464 1359 G N 1.753 110.474 108.800 -0.132 0.000 2.685 1359 G HA2 -0.237 3.723 3.960 0.001 0.000 0.387 1359 G HA3 -0.237 3.723 3.960 0.001 0.000 0.387 1359 G C 0.422 175.240 174.900 -0.137 0.000 1.324 1359 G CA -0.134 44.890 45.100 -0.127 0.000 0.878 1359 G HN 0.787 nan 8.290 nan 0.000 0.527 1360 S N -0.996 114.676 115.700 -0.047 0.000 2.496 1360 S HA 0.371 4.842 4.470 0.001 0.000 0.224 1360 S C 2.399 177.149 174.600 0.250 0.000 0.996 1360 S CA 1.495 59.724 58.200 0.049 0.000 0.927 1360 S CB 0.163 63.445 63.200 0.136 0.000 0.774 1360 S HN 2.896 nan 8.310 nan 0.000 0.524 1361 G N 0.158 109.073 108.800 0.191 0.000 2.162 1361 G HA2 -0.238 3.723 3.960 0.001 0.000 0.260 1361 G HA3 -0.238 3.723 3.960 0.001 0.000 0.260 1361 G C -0.146 174.844 174.900 0.150 0.000 0.976 1361 G CA 0.354 45.596 45.100 0.238 0.000 0.655 1361 G HN 0.497 nan 8.290 nan 0.000 0.533 1362 F N -0.033 120.007 119.950 0.150 0.000 2.538 1362 F HA 0.761 5.289 4.527 0.002 0.000 0.325 1362 F C 0.403 176.257 175.800 0.090 0.000 1.066 1362 F CA -0.930 57.143 58.000 0.121 0.000 0.946 1362 F CB 2.075 41.150 39.000 0.124 0.000 1.199 1362 F HN 0.008 nan 8.300 nan 0.000 0.473 1363 K N 1.713 122.260 120.400 0.245 0.000 2.371 1363 K HA 0.257 4.578 4.320 0.001 0.000 0.251 1363 K C -0.965 175.725 176.600 0.149 0.000 0.934 1363 K CA -0.778 55.610 56.287 0.168 0.000 0.798 1363 K CB 1.488 34.064 32.500 0.126 0.000 1.204 1363 K HN 0.754 nan 8.250 nan 0.000 0.427 1364 N N 5.620 124.379 118.700 0.098 0.000 2.430 1364 N HA 0.103 4.844 4.740 0.001 0.000 0.265 1364 N C -1.005 174.556 175.510 0.085 0.000 1.100 1364 N CA -0.103 52.978 53.050 0.052 0.000 0.961 1364 N CB 0.519 39.026 38.487 0.035 0.000 1.075 1364 N HN 0.410 nan 8.380 nan 0.000 0.478 1365 I N 3.307 123.954 120.570 0.129 0.000 2.420 1365 I HA 0.163 4.333 4.170 0.001 0.000 0.282 1365 I C -0.272 175.921 176.117 0.127 0.000 1.019 1365 I CA -0.308 61.089 61.300 0.161 0.000 1.130 1365 I CB 0.881 39.031 38.000 0.251 0.000 1.262 1365 I HN 0.589 nan 8.210 nan 0.000 0.454 1366 D N 5.402 125.839 120.400 0.060 0.000 2.708 1366 D HA -0.187 4.454 4.640 0.001 0.000 0.236 1366 D C 1.235 177.547 176.300 0.019 0.000 1.146 1366 D CA 1.660 55.682 54.000 0.037 0.000 0.662 1366 D CB -0.990 39.834 40.800 0.039 0.000 1.059 1366 D HN 1.118 nan 8.370 nan 0.000 0.428 1367 G N -0.704 108.096 108.800 -0.000 0.000 2.157 1367 G HA2 -0.345 3.616 3.960 0.001 0.000 0.248 1367 G HA3 -0.345 3.616 3.960 0.001 0.000 0.248 1367 G C 0.240 175.091 174.900 -0.082 0.000 0.979 1367 G CA 0.559 45.644 45.100 -0.026 0.000 0.650 1367 G HN 0.655 nan 8.290 nan 0.000 0.529 1368 K N 0.459 120.763 120.400 -0.159 0.000 2.371 1368 K HA 0.524 4.845 4.320 0.001 0.000 0.251 1368 K C -0.601 175.655 176.600 -0.574 0.000 0.934 1368 K CA -0.872 55.179 56.287 -0.394 0.000 0.798 1368 K CB 1.177 33.358 32.500 -0.531 0.000 1.204 1368 K HN 0.024 nan 8.250 nan 0.000 0.427 1369 E N 2.857 122.731 120.200 -0.542 0.000 2.259 1369 E HA 0.174 4.524 4.350 0.001 0.000 0.281 1369 E C -1.121 175.221 176.600 -0.430 0.000 1.027 1369 E CA -0.093 56.094 56.400 -0.355 0.000 0.838 1369 E CB 0.918 30.476 29.700 -0.237 0.000 1.066 1369 E HN 0.437 nan 8.360 nan 0.000 0.401 1370 Y N 0.801 121.200 120.300 0.166 0.000 2.442 1370 Y HA 0.223 4.774 4.550 0.001 0.000 0.344 1370 Y C 0.120 175.966 175.900 -0.090 0.000 0.976 1370 Y CA -1.281 56.864 58.100 0.074 0.000 1.040 1370 Y CB 1.626 40.071 38.460 -0.024 0.000 1.228 1370 Y HN 0.366 nan 8.280 nan 0.000 0.451 1371 L N 3.127 124.198 121.223 -0.254 0.000 2.499 1371 L HA 0.181 4.521 4.340 0.001 0.000 0.273 1371 L C -0.570 176.126 176.870 -0.288 0.000 1.195 1371 L CA 0.145 54.557 54.840 -0.713 0.000 0.882 1371 L CB -0.080 41.592 42.059 -0.645 0.000 1.133 1371 L HN 0.758 nan 8.230 nan 0.000 0.483 1372 C N 5.617 124.762 119.300 -0.259 0.000 2.405 1372 C HA 0.583 5.044 4.460 0.001 0.000 0.365 1372 C C 0.223 175.046 174.990 -0.279 0.000 1.233 1372 C CA -0.808 58.076 59.018 -0.223 0.000 2.230 1372 C CB 0.242 27.881 27.740 -0.169 0.000 2.443 1372 C HN 0.708 nan 8.230 nan 0.000 0.556 1373 L N 1.857 122.848 121.223 -0.387 0.000 2.354 1373 L HA 0.604 4.944 4.340 0.001 0.000 0.264 1373 L C -1.261 175.292 176.870 -0.528 0.000 1.008 1373 L CA -0.642 54.007 54.840 -0.319 0.000 0.819 1373 L CB 1.454 43.388 42.059 -0.208 0.000 1.339 1373 L HN 0.595 nan 8.230 nan 0.000 0.420 1374 Y N -0.400 119.927 120.300 0.045 0.000 2.462 1374 Y HA 0.336 4.886 4.550 0.000 0.000 0.346 1374 Y C -0.170 175.745 175.900 0.024 0.000 0.976 1374 Y CA -1.131 57.029 58.100 0.101 0.000 1.044 1374 Y CB 1.755 40.247 38.460 0.054 0.000 1.230 1374 Y HN 0.611 nan 8.280 nan 0.000 0.455 1375 D N -0.827 119.700 120.400 0.212 0.000 2.466 1375 D HA 0.128 4.769 4.640 0.001 0.000 0.262 1375 D C 1.052 177.418 176.300 0.111 0.000 1.177 1375 D CA -0.316 53.733 54.000 0.082 0.000 1.035 1375 D CB 0.685 41.536 40.800 0.084 0.000 1.105 1375 D HN 0.431 nan 8.370 nan 0.000 0.551 1376 S N -1.036 114.699 115.700 0.058 0.000 2.442 1376 S HA -0.188 4.282 4.470 0.001 0.000 0.236 1376 S C 1.674 176.312 174.600 0.063 0.000 1.007 1376 S CA 1.051 59.282 58.200 0.053 0.000 0.965 1376 S CB -0.876 62.342 63.200 0.030 0.000 0.773 1376 S HN 0.592 nan 8.310 nan 0.000 0.504 1377 S N 0.170 115.918 115.700 0.080 0.000 2.575 1377 S HA 0.468 4.939 4.470 0.001 0.000 0.215 1377 S C 1.534 176.189 174.600 0.092 0.000 0.966 1377 S CA 0.436 58.681 58.200 0.074 0.000 0.911 1377 S CB -0.404 62.837 63.200 0.069 0.000 0.780 1377 S HN 1.443 nan 8.310 nan 0.000 0.514 1378 G N 1.113 109.996 108.800 0.138 0.000 2.157 1378 G HA2 -0.238 3.722 3.960 0.001 0.000 0.239 1378 G HA3 -0.238 3.722 3.960 0.001 0.000 0.239 1378 G C -0.072 174.984 174.900 0.260 0.000 0.982 1378 G CA -0.022 45.186 45.100 0.179 0.000 0.650 1378 G HN 0.574 nan 8.290 nan 0.000 0.527 1379 K N 0.720 121.248 120.400 0.213 0.000 2.382 1379 K HA 0.320 4.640 4.320 0.001 0.000 0.275 1379 K C 0.284 176.970 176.600 0.143 0.000 1.009 1379 K CA 0.103 56.464 56.287 0.123 0.000 0.970 1379 K CB 0.880 33.413 32.500 0.054 0.000 0.934 1379 K HN 0.438 nan 8.250 nan 0.000 0.479 1380 E N 2.718 122.873 120.200 -0.074 0.000 2.175 1380 E HA 0.280 4.630 4.350 0.001 0.000 0.278 1380 E C -1.244 175.114 176.600 -0.404 0.000 0.969 1380 E CA -0.550 55.713 56.400 -0.228 0.000 0.796 1380 E CB 0.625 30.261 29.700 -0.108 0.000 1.104 1380 E HN 0.233 nan 8.360 nan 0.000 0.395 1381 F N 0.926 120.689 119.950 -0.312 0.000 2.598 1381 F HA 0.465 4.992 4.527 0.000 0.000 0.327 1381 F C 0.327 176.006 175.800 -0.203 0.000 1.057 1381 F CA -0.593 57.293 58.000 -0.191 0.000 0.957 1381 F CB 2.182 41.076 39.000 -0.177 0.000 1.278 1381 F HN 0.360 nan 8.300 nan 0.000 0.484 1382 T N -1.582 113.017 114.554 0.076 0.000 2.907 1382 T HA 0.757 5.107 4.350 0.001 0.000 0.292 1382 T C -1.316 173.403 174.700 0.032 0.000 1.043 1382 T CA -0.858 61.240 62.100 -0.003 0.000 1.003 1382 T CB 1.554 70.383 68.868 -0.064 0.000 1.084 1382 T HN 0.339 nan 8.240 nan 0.000 0.483 1383 V N 2.608 122.523 119.914 0.002 0.000 2.347 1383 V HA 0.501 4.621 4.120 0.001 0.000 0.280 1383 V C 0.062 176.170 176.094 0.022 0.000 1.021 1383 V CA -0.796 61.529 62.300 0.042 0.000 0.847 1383 V CB 0.707 32.547 31.823 0.028 0.000 0.990 1383 V HN 0.804 nan 8.190 nan 0.000 0.444 1384 R N 3.750 124.240 120.500 -0.016 0.000 2.371 1384 R HA 0.500 4.841 4.340 0.001 0.000 0.312 1384 R C -0.458 175.891 176.300 0.081 0.000 0.980 1384 R CA -0.761 55.230 56.100 -0.182 0.000 0.867 1384 R CB 1.157 31.017 30.300 -0.733 0.000 1.163 1384 R HN 0.713 nan 8.270 nan 0.000 0.492 1385 E N 1.716 122.009 120.200 0.154 0.000 2.297 1385 E HA -0.285 4.065 4.350 0.001 0.000 0.228 1385 E C -0.614 176.052 176.600 0.110 0.000 1.213 1385 E CA 1.010 57.487 56.400 0.128 0.000 0.712 1385 E CB -1.680 28.087 29.700 0.111 0.000 1.202 1385 E HN 0.958 nan 8.360 nan 0.000 0.376 1386 N N -3.057 115.710 118.700 0.113 0.000 2.828 1386 N HA -0.211 4.530 4.740 0.001 0.000 0.248 1386 N C -0.820 174.750 175.510 0.099 0.000 1.044 1386 N CA 1.045 54.156 53.050 0.102 0.000 0.851 1386 N CB -0.489 38.051 38.487 0.088 0.000 1.136 1386 N HN 0.226 nan 8.380 nan 0.000 0.572 1387 V N 0.920 120.905 119.914 0.118 0.000 2.459 1387 V HA 0.461 4.581 4.120 0.001 0.000 0.295 1387 V C 0.390 176.556 176.094 0.120 0.000 1.029 1387 V CA -0.857 61.495 62.300 0.087 0.000 0.874 1387 V CB 2.003 33.870 31.823 0.073 0.000 0.985 1387 V HN -0.059 nan 8.190 nan 0.000 0.438 1388 V N 5.575 125.518 119.914 0.047 0.000 2.461 1388 V HA 0.352 4.472 4.120 0.001 0.000 0.275 1388 V C -0.700 175.407 176.094 0.020 0.000 1.047 1388 V CA -0.361 61.995 62.300 0.094 0.000 0.955 1388 V CB 0.610 32.478 31.823 0.075 0.000 0.988 1388 V HN 0.695 nan 8.190 nan 0.000 0.471 1389 Y N 2.836 123.173 120.300 0.062 0.000 2.409 1389 Y HA 0.467 5.018 4.550 0.001 0.000 0.339 1389 Y C 0.464 176.418 175.900 0.091 0.000 1.033 1389 Y CA -1.331 56.795 58.100 0.044 0.000 1.094 1389 Y CB 1.355 39.773 38.460 -0.070 0.000 1.210 1389 Y HN 0.822 nan 8.280 nan 0.000 0.456 1390 D N 0.766 121.258 120.400 0.153 0.000 2.433 1390 D HA 0.077 4.718 4.640 0.001 0.000 0.255 1390 D C 0.815 176.985 176.300 -0.216 0.000 1.226 1390 D CA -0.595 53.296 54.000 -0.183 0.000 1.015 1390 D CB 0.590 41.281 40.800 -0.181 0.000 1.091 1390 D HN 0.614 nan 8.370 nan 0.000 0.527 1391 K N -0.914 119.260 120.400 -0.376 0.000 2.360 1391 K HA -0.131 4.189 4.320 0.001 0.000 0.201 1391 K C -0.108 176.423 176.600 -0.115 0.000 1.046 1391 K CA 1.070 57.221 56.287 -0.227 0.000 0.945 1391 K CB -0.188 32.168 32.500 -0.239 0.000 0.750 1391 K HN 0.264 nan 8.250 nan 0.000 0.464 1392 D N 0.971 121.318 120.400 -0.087 0.000 2.342 1392 D HA 0.067 4.708 4.640 0.001 0.000 0.221 1392 D C -0.400 175.900 176.300 0.000 0.000 1.101 1392 D CA 0.088 54.066 54.000 -0.038 0.000 0.837 1392 D CB 0.600 41.383 40.800 -0.029 0.000 0.938 1392 D HN 0.104 nan 8.370 nan 0.000 0.508 1393 S N 0.755 116.468 115.700 0.021 0.000 3.561 1393 S HA -0.165 4.306 4.470 0.001 0.000 0.318 1393 S C 0.132 174.863 174.600 0.218 0.000 1.181 1393 S CA 0.116 58.379 58.200 0.105 0.000 0.916 1393 S CB -1.403 61.800 63.200 0.005 0.000 0.966 1393 S HN 0.383 nan 8.310 nan 0.000 0.550 1394 N N 2.204 120.985 118.700 0.135 0.000 2.488 1394 N HA 0.156 4.897 4.740 0.001 0.000 0.274 1394 N C 0.094 175.599 175.510 -0.008 0.000 1.111 1394 N CA -0.183 52.915 53.050 0.080 0.000 0.974 1394 N CB 0.681 39.186 38.487 0.030 0.000 1.089 1394 N HN 0.458 nan 8.380 nan 0.000 0.465 1395 K N 1.147 121.429 120.400 -0.196 0.000 2.451 1395 K HA 0.003 4.323 4.320 0.001 0.000 0.280 1395 K C 0.477 176.939 176.600 -0.230 0.000 1.020 1395 K CA 0.061 56.020 56.287 -0.547 0.000 1.008 1395 K CB 0.415 32.636 32.500 -0.466 0.000 0.917 1395 K HN 0.663 nan 8.250 nan 0.000 0.478 1396 T N 0.458 114.908 114.554 -0.173 0.000 2.880 1396 T HA 0.188 4.538 4.350 0.001 0.000 0.279 1396 T C 0.772 175.441 174.700 -0.052 0.000 0.990 1396 T CA -0.602 61.503 62.100 0.009 0.000 0.938 1396 T CB 0.920 69.917 68.868 0.215 0.000 1.206 1396 T HN 0.640 nan 8.240 nan 0.000 0.573 1397 E N -0.636 119.520 120.200 -0.074 0.000 2.502 1397 E HA 0.100 4.450 4.350 0.001 0.000 0.194 1397 E C -0.694 175.678 176.600 -0.380 0.000 1.062 1397 E CA 0.083 56.327 56.400 -0.259 0.000 0.867 1397 E CB -0.050 29.425 29.700 -0.374 0.000 0.888 1397 E HN 0.505 nan 8.360 nan 0.000 0.510 1398 Y N 0.568 120.832 120.300 -0.060 0.000 2.387 1398 Y HA 0.256 4.806 4.550 0.000 0.000 0.330 1398 Y C 0.858 176.752 175.900 -0.010 0.000 1.133 1398 Y CA -0.606 57.473 58.100 -0.035 0.000 1.152 1398 Y CB 1.570 39.977 38.460 -0.087 0.000 1.215 1398 Y HN -0.185 nan 8.280 nan 0.000 0.466 1399 T N -2.028 112.652 114.554 0.210 0.000 2.865 1399 T HA 0.807 5.158 4.350 0.001 0.000 0.294 1399 T C -0.387 174.498 174.700 0.309 0.000 1.119 1399 T CA -0.883 61.332 62.100 0.191 0.000 1.007 1399 T CB 1.764 70.695 68.868 0.105 0.000 1.225 1399 T HN 0.670 nan 8.240 nan 0.000 0.515 1400 T N -0.905 113.803 114.554 0.257 0.000 2.864 1400 T HA 0.780 5.130 4.350 0.001 0.000 0.289 1400 T C -0.753 174.131 174.700 0.306 0.000 1.082 1400 T CA -0.891 61.375 62.100 0.276 0.000 1.009 1400 T CB 1.636 70.580 68.868 0.128 0.000 1.234 1400 T HN 1.007 nan 8.240 nan 0.000 0.526 1401 N N -0.555 118.329 118.700 0.306 0.000 2.966 1401 N HA 0.616 5.356 4.740 0.001 0.000 0.314 1401 N C 1.141 176.731 175.510 0.135 0.000 1.397 1401 N CA -0.556 52.622 53.050 0.213 0.000 0.776 1401 N CB 0.536 39.180 38.487 0.261 0.000 1.576 1401 N HN 0.784 nan 8.380 nan 0.000 0.592 1402 A N -0.562 122.319 122.820 0.103 0.000 2.067 1402 A HA 0.090 4.410 4.320 0.001 0.000 0.219 1402 A C 1.635 179.264 177.584 0.075 0.000 1.158 1402 A CA 0.819 52.909 52.037 0.088 0.000 0.661 1402 A CB -0.914 18.131 19.000 0.075 0.000 0.801 1402 A HN 0.564 nan 8.150 nan 0.000 0.452 1403 L N -1.310 119.938 121.223 0.041 0.000 2.611 1403 L HA 0.226 4.566 4.340 0.001 0.000 0.229 1403 L C 1.605 178.540 176.870 0.108 0.000 1.137 1403 L CA 0.530 55.355 54.840 -0.025 0.000 0.901 1403 L CB 0.020 41.978 42.059 -0.168 0.000 1.098 1403 L HN 0.549 nan 8.230 nan 0.000 0.456 1404 G N -0.609 108.257 108.800 0.111 0.000 2.157 1404 G HA2 -0.239 3.722 3.960 0.001 0.000 0.248 1404 G HA3 -0.239 3.722 3.960 0.001 0.000 0.248 1404 G C -0.029 174.879 174.900 0.012 0.000 0.979 1404 G CA -0.146 45.008 45.100 0.091 0.000 0.650 1404 G HN 0.325 nan 8.290 nan 0.000 0.529 1405 D N -0.185 120.192 120.400 -0.039 0.000 2.443 1405 D HA 0.378 5.018 4.640 0.001 0.000 0.239 1405 D C 0.360 176.446 176.300 -0.356 0.000 1.136 1405 D CA 0.206 54.049 54.000 -0.261 0.000 0.879 1405 D CB 1.496 42.058 40.800 -0.397 0.000 1.195 1405 D HN 0.260 nan 8.370 nan 0.000 0.443 1406 L N 3.065 124.011 121.223 -0.462 0.000 2.325 1406 L HA 0.426 4.766 4.340 0.001 0.000 0.281 1406 L C -1.470 175.174 176.870 -0.376 0.000 1.004 1406 L CA -0.450 54.240 54.840 -0.249 0.000 0.823 1406 L CB 0.606 42.599 42.059 -0.109 0.000 1.236 1406 L HN 0.151 nan 8.230 nan 0.000 0.415 1407 F N 3.897 123.889 119.950 0.070 0.000 2.495 1407 F HA 0.510 5.037 4.527 0.000 0.000 0.327 1407 F C 0.153 175.926 175.800 -0.045 0.000 1.103 1407 F CA -0.670 57.338 58.000 0.014 0.000 0.949 1407 F CB 1.664 40.656 39.000 -0.013 0.000 1.142 1407 F HN 0.322 nan 8.300 nan 0.000 0.457 1408 K N 3.241 123.656 120.400 0.024 0.000 2.316 1408 K HA 0.251 4.572 4.320 0.001 0.000 0.267 1408 K C -0.152 176.353 176.600 -0.159 0.000 1.025 1408 K CA -0.340 55.774 56.287 -0.289 0.000 0.896 1408 K CB 0.296 32.603 32.500 -0.321 0.000 1.124 1408 K HN 0.729 nan 8.250 nan 0.000 0.451 1409 N N 3.322 121.912 118.700 -0.184 0.000 2.721 1409 N HA -0.222 4.518 4.740 0.001 0.000 0.249 1409 N C 0.486 175.962 175.510 -0.057 0.000 1.072 1409 N CA 1.413 54.395 53.050 -0.112 0.000 0.710 1409 N CB -1.290 37.132 38.487 -0.109 0.000 0.993 1409 N HN 1.093 nan 8.380 nan 0.000 0.547 1410 G N -2.384 106.405 108.800 -0.019 0.000 2.176 1410 G HA2 -0.304 3.656 3.960 0.001 0.000 0.253 1410 G HA3 -0.304 3.656 3.960 0.001 0.000 0.253 1410 G C 0.109 175.060 174.900 0.085 0.000 0.979 1410 G CA 0.672 45.748 45.100 -0.040 0.000 0.641 1410 G HN 0.503 nan 8.290 nan 0.000 0.530 1411 T N 1.086 115.730 114.554 0.149 0.000 2.771 1411 T HA 0.487 4.837 4.350 0.001 0.000 0.281 1411 T C 0.238 175.077 174.700 0.231 0.000 0.982 1411 T CA -0.398 61.806 62.100 0.172 0.000 0.978 1411 T CB 1.820 70.725 68.868 0.062 0.000 0.930 1411 T HN 0.424 nan 8.240 nan 0.000 0.447 1412 K N 3.258 123.803 120.400 0.241 0.000 2.412 1412 K HA 0.177 4.497 4.320 0.001 0.000 0.281 1412 K C 0.825 177.376 176.600 -0.081 0.000 1.027 1412 K CA 0.018 56.242 56.287 -0.105 0.000 0.989 1412 K CB 0.202 32.598 32.500 -0.173 0.000 0.935 1412 K HN 0.713 nan 8.250 nan 0.000 0.475 1413 I N -0.511 119.987 120.570 -0.121 0.000 4.471 1413 I HA 0.375 4.545 4.170 0.001 0.000 0.326 1413 I C 0.294 176.370 176.117 -0.068 0.000 1.300 1413 I CA -0.287 60.982 61.300 -0.051 0.000 1.237 1413 I CB 0.525 38.532 38.000 0.012 0.000 1.195 1413 I HN 0.485 nan 8.210 nan 0.000 0.427 1414 D N 0.139 120.465 120.400 -0.123 0.000 3.485 1414 D HA 0.253 4.893 4.640 0.001 0.000 0.358 1414 D C -1.818 174.401 176.300 -0.134 0.000 1.487 1414 D CA -0.466 53.477 54.000 -0.096 0.000 0.922 1414 D CB 1.071 41.836 40.800 -0.057 0.000 1.479 1414 D HN 0.070 nan 8.370 nan 0.000 0.567 1415 N N 0.742 119.396 118.700 -0.077 0.000 2.369 1415 N HA 0.199 4.940 4.740 0.001 0.000 0.287 1415 N C 0.915 176.414 175.510 -0.018 0.000 1.067 1415 N CA -0.348 52.669 53.050 -0.055 0.000 0.888 1415 N CB 1.621 40.105 38.487 -0.005 0.000 1.616 1415 N HN 0.540 nan 8.380 nan 0.000 0.482 1416 I N 0.151 120.708 120.570 -0.021 0.000 3.010 1416 I HA -0.037 4.133 4.170 0.001 0.000 0.271 1416 I C 0.258 176.382 176.117 0.011 0.000 1.293 1416 I CA 0.934 62.219 61.300 -0.025 0.000 1.452 1416 I CB -0.112 37.857 38.000 -0.051 0.000 1.082 1416 I HN 0.264 nan 8.210 nan 0.000 0.484 1417 N N 1.540 120.274 118.700 0.057 0.000 2.280 1417 N HA 0.049 4.789 4.740 0.001 0.000 0.192 1417 N C 0.891 176.459 175.510 0.097 0.000 1.109 1417 N CA 0.509 53.606 53.050 0.079 0.000 0.855 1417 N CB 0.429 38.999 38.487 0.138 0.000 0.974 1417 N HN 0.561 nan 8.380 nan 0.000 0.482 1418 S N 0.200 115.945 115.700 0.076 0.000 2.655 1418 S HA 0.158 4.629 4.470 0.001 0.000 0.265 1418 S C 1.464 176.102 174.600 0.064 0.000 1.240 1418 S CA -0.292 57.950 58.200 0.070 0.000 0.986 1418 S CB 1.379 64.605 63.200 0.043 0.000 0.985 1418 S HN 0.179 nan 8.310 nan 0.000 0.562 1419 S N -0.607 115.125 115.700 0.052 0.000 2.527 1419 S HA -0.019 4.451 4.470 0.001 0.000 0.222 1419 S C 1.396 176.012 174.600 0.027 0.000 0.985 1419 S CA 0.708 58.934 58.200 0.044 0.000 0.921 1419 S CB -1.060 62.154 63.200 0.024 0.000 0.772 1419 S HN 0.997 nan 8.310 nan 0.000 0.529 1420 T N -1.417 113.148 114.554 0.017 0.000 3.001 1420 T HA 0.583 4.933 4.350 0.001 0.000 0.251 1420 T C 0.702 175.398 174.700 -0.007 0.000 1.040 1420 T CA 0.176 62.279 62.100 0.004 0.000 0.985 1420 T CB -0.123 68.745 68.868 -0.000 0.000 1.011 1420 T HN 0.500 nan 8.240 nan 0.000 0.509 1421 A N 3.562 126.376 122.820 -0.011 0.000 2.498 1421 A HA 0.464 4.785 4.320 0.001 0.000 0.239 1421 A C -0.584 176.962 177.584 -0.063 0.000 1.068 1421 A CA -1.222 50.791 52.037 -0.041 0.000 0.766 1421 A CB 0.296 19.268 19.000 -0.047 0.000 1.003 1421 A HN 0.257 nan 8.150 nan 0.000 0.497 1422 P HA 0.027 nan 4.420 nan 0.000 0.229 1422 P C -0.189 176.972 177.300 -0.232 0.000 1.160 1422 P CA 1.016 64.028 63.100 -0.148 0.000 0.777 1422 P CB 0.102 31.697 31.700 -0.175 0.000 0.814 1423 L N -0.247 120.817 121.223 -0.264 0.000 2.406 1423 L HA 0.430 4.771 4.340 0.001 0.000 0.272 1423 L C 0.051 176.833 176.870 -0.147 0.000 0.980 1423 L CA -0.615 54.047 54.840 -0.297 0.000 0.831 1423 L CB 2.610 44.363 42.059 -0.510 0.000 1.253 1423 L HN -0.289 nan 8.230 nan 0.000 0.406 1424 K N 2.063 122.434 120.400 -0.047 0.000 2.316 1424 K HA 0.747 5.068 4.320 0.001 0.000 0.251 1424 K C -0.333 176.308 176.600 0.069 0.000 0.934 1424 K CA -0.696 55.602 56.287 0.018 0.000 0.802 1424 K CB 2.639 35.179 32.500 0.066 0.000 1.171 1424 K HN 0.629 nan 8.250 nan 0.000 0.426 1425 A N 2.211 125.047 122.820 0.027 0.000 2.429 1425 A HA 0.041 4.361 4.320 0.001 0.000 0.242 1425 A C 0.038 177.711 177.584 0.148 0.000 1.088 1425 A CA 0.056 52.125 52.037 0.053 0.000 0.784 1425 A CB 0.127 19.076 19.000 -0.084 0.000 1.038 1425 A HN 0.776 nan 8.150 nan 0.000 0.501 1426 K N 0.649 121.185 120.400 0.227 0.000 2.436 1426 K HA 0.237 4.557 4.320 0.001 0.000 0.275 1426 K C 0.603 177.125 176.600 -0.130 0.000 0.999 1426 K CA 0.565 56.885 56.287 0.054 0.000 0.980 1426 K CB 0.276 32.818 32.500 0.070 0.000 0.919 1426 K HN 0.730 nan 8.250 nan 0.000 0.484 1427 G N 2.662 111.161 108.800 -0.502 0.000 2.605 1427 G HA2 0.219 4.179 3.960 0.001 0.000 0.301 1427 G HA3 0.219 4.179 3.960 0.001 0.000 0.301 1427 G C -0.437 173.967 174.900 -0.826 0.000 0.881 1427 G CA -0.005 44.331 45.100 -1.273 0.000 1.553 1427 G HN 0.588 nan 8.290 nan 0.000 0.483 1428 T N 0.091 114.407 114.554 -0.397 0.000 2.693 1428 T HA 0.542 4.893 4.350 0.001 0.000 0.304 1428 T C 0.149 174.653 174.700 -0.326 0.000 1.471 1428 T CA -0.037 61.904 62.100 -0.265 0.000 0.993 1428 T CB 0.908 69.548 68.868 -0.380 0.000 1.554 1428 T HN 0.800 nan 8.240 nan 0.000 0.496 1429 S N 0.950 116.423 115.700 -0.379 0.000 2.580 1429 S HA 0.657 5.128 4.470 0.001 0.000 0.274 1429 S C -1.235 172.797 174.600 -0.947 0.000 1.329 1429 S CA -0.267 57.454 58.200 -0.800 0.000 1.036 1429 S CB 0.130 62.922 63.200 -0.681 0.000 0.919 1429 S HN 0.573 nan 8.310 nan 0.000 0.515 1430 Y N 0.354 120.385 120.300 -0.449 0.000 2.477 1430 Y HA 0.503 5.053 4.550 -0.000 0.000 0.347 1430 Y C -0.038 175.714 175.900 -0.247 0.000 0.981 1430 Y CA -1.347 56.612 58.100 -0.235 0.000 1.033 1430 Y CB 1.326 39.738 38.460 -0.080 0.000 1.245 1430 Y HN 0.510 nan 8.280 nan 0.000 0.455 1431 I N 3.081 123.608 120.570 -0.073 0.000 2.325 1431 I HA 0.200 4.370 4.170 0.001 0.000 0.291 1431 I C -0.352 175.733 176.117 -0.053 0.000 1.019 1431 I CA -0.282 60.937 61.300 -0.134 0.000 1.302 1431 I CB 0.495 38.350 38.000 -0.241 0.000 1.401 1431 I HN 0.723 nan 8.210 nan 0.000 0.485 1432 N N 6.085 124.763 118.700 -0.036 0.000 2.417 1432 N HA 0.634 5.375 4.740 0.001 0.000 0.300 1432 N C -1.069 174.419 175.510 -0.037 0.000 1.102 1432 N CA -0.691 52.362 53.050 0.005 0.000 0.886 1432 N CB 2.833 41.342 38.487 0.037 0.000 1.203 1432 N HN 0.438 nan 8.380 nan 0.000 0.496 1433 L N 2.567 123.798 121.223 0.013 0.000 2.385 1433 L HA 0.657 4.997 4.340 0.001 0.000 0.273 1433 L C -1.057 175.919 176.870 0.178 0.000 0.990 1433 L CA -0.712 54.169 54.840 0.068 0.000 0.821 1433 L CB 1.384 43.462 42.059 0.031 0.000 1.279 1433 L HN 0.339 nan 8.230 nan 0.000 0.412 1434 V N 1.429 121.472 119.914 0.214 0.000 3.074 1434 V HA 0.722 4.843 4.120 0.001 0.000 0.314 1434 V C -1.245 175.100 176.094 0.417 0.000 1.117 1434 V CA -0.650 61.783 62.300 0.222 0.000 1.014 1434 V CB 1.614 33.515 31.823 0.131 0.000 1.057 1434 V HN 0.831 nan 8.190 nan 0.000 0.438 1435 Y N -0.372 120.115 120.300 0.311 0.000 2.581 1435 Y HA 0.886 5.439 4.550 0.005 0.000 0.345 1435 Y C -0.416 175.417 175.900 -0.112 0.000 1.036 1435 Y CA -0.989 57.153 58.100 0.070 0.000 1.042 1435 Y CB 1.687 40.020 38.460 -0.212 0.000 1.289 1435 Y HN 0.854 nan 8.280 nan 0.000 0.471 1436 S N 0.487 115.995 115.700 -0.319 0.000 2.557 1436 S HA 0.395 4.865 4.470 0.001 0.000 0.291 1436 S C -0.989 173.429 174.600 -0.303 0.000 1.116 1436 S CA -0.632 57.203 58.200 -0.608 0.000 0.992 1436 S CB 0.996 63.334 63.200 -1.436 0.000 1.028 1436 S HN 0.768 nan 8.310 nan 0.000 0.484 1437 D N 2.323 122.619 120.400 -0.173 0.000 2.398 1437 D HA 0.138 4.778 4.640 0.001 0.000 0.210 1437 D C -0.109 176.115 176.300 -0.127 0.000 1.094 1437 D CA 0.261 54.194 54.000 -0.113 0.000 0.839 1437 D CB 0.476 41.258 40.800 -0.031 0.000 0.963 1437 D HN 0.741 nan 8.370 nan 0.000 0.506 1438 D N -0.284 120.005 120.400 -0.185 0.000 2.891 1438 D HA 0.098 4.738 4.640 0.001 0.000 0.332 1438 D C -0.031 176.173 176.300 -0.159 0.000 1.369 1438 D CA -0.585 53.329 54.000 -0.143 0.000 0.827 1438 D CB 0.108 40.835 40.800 -0.121 0.000 1.141 1438 D HN -0.243 nan 8.370 nan 0.000 0.464 1439 D N -0.150 120.150 120.400 -0.167 0.000 2.870 1439 D HA -0.140 4.501 4.640 0.001 0.000 0.228 1439 D C 1.266 177.491 176.300 -0.126 0.000 1.147 1439 D CA 1.910 55.844 54.000 -0.109 0.000 0.757 1439 D CB -1.240 39.530 40.800 -0.049 0.000 1.091 1439 D HN 0.762 nan 8.370 nan 0.000 0.429 1440 G N -0.949 107.651 108.800 -0.334 0.000 2.175 1440 G HA2 -0.388 3.573 3.960 0.001 0.000 0.244 1440 G HA3 -0.388 3.573 3.960 0.001 0.000 0.244 1440 G C 1.125 175.912 174.900 -0.189 0.000 0.982 1440 G CA 0.718 45.612 45.100 -0.344 0.000 0.641 1440 G HN 0.539 nan 8.290 nan 0.000 0.527 1441 K N 0.115 120.398 120.400 -0.196 0.000 2.062 1441 K HA 0.105 4.426 4.320 0.001 0.000 0.205 1441 K C 1.416 177.972 176.600 -0.074 0.000 1.051 1441 K CA 1.584 57.833 56.287 -0.065 0.000 0.941 1441 K CB -0.069 32.399 32.500 -0.054 0.000 0.719 1441 K HN 0.658 nan 8.250 nan 0.000 0.440 1442 T N -2.186 112.218 114.554 -0.251 0.000 2.907 1442 T HA 0.510 4.860 4.350 0.001 0.000 0.292 1442 T C -1.275 173.152 174.700 -0.454 0.000 1.043 1442 T CA -0.961 61.034 62.100 -0.175 0.000 1.003 1442 T CB 1.280 70.090 68.868 -0.097 0.000 1.084 1442 T HN 0.119 nan 8.240 nan 0.000 0.483 1443 W N 1.126 122.369 121.300 -0.094 0.000 2.844 1443 W HA 0.601 5.263 4.660 0.003 0.000 0.340 1443 W C 0.564 176.937 176.519 -0.244 0.000 1.093 1443 W CA -0.780 56.467 57.345 -0.164 0.000 1.212 1443 W CB 1.953 31.347 29.460 -0.110 0.000 1.422 1443 W HN 1.007 nan 8.180 nan 0.000 0.515 1444 S N 0.793 116.363 115.700 -0.217 0.000 2.596 1444 S HA 0.211 4.681 4.470 0.001 0.000 0.260 1444 S C 0.155 174.684 174.600 -0.119 0.000 1.336 1444 S CA -0.716 57.275 58.200 -0.349 0.000 0.993 1444 S CB 0.638 63.288 63.200 -0.916 0.000 0.923 1444 S HN 0.453 nan 8.310 nan 0.000 0.567 1445 E N 1.765 121.916 120.200 -0.081 0.000 2.404 1445 E HA 0.211 4.561 4.350 0.001 0.000 0.261 1445 E C -2.249 174.353 176.600 0.003 0.000 1.074 1445 E CA -1.662 54.720 56.400 -0.029 0.000 0.917 1445 E CB -0.393 29.308 29.700 0.002 0.000 0.965 1445 E HN 0.497 nan 8.360 nan 0.000 0.433 1446 P HA 0.024 nan 4.420 nan 0.000 0.268 1446 P C -0.722 176.645 177.300 0.111 0.000 1.204 1446 P CA 0.279 63.415 63.100 0.060 0.000 0.768 1446 P CB 0.506 32.241 31.700 0.058 0.000 0.842 1447 Q N 1.886 121.774 119.800 0.147 0.000 2.307 1447 Q HA 0.261 4.601 4.340 0.001 0.000 0.262 1447 Q C -0.084 176.013 176.000 0.163 0.000 0.961 1447 Q CA -0.651 55.263 55.803 0.186 0.000 0.882 1447 Q CB 1.240 30.120 28.738 0.237 0.000 1.264 1447 Q HN 0.313 nan 8.270 nan 0.000 0.446 1448 N N 3.564 122.394 118.700 0.217 0.000 2.406 1448 N HA 0.107 4.847 4.740 0.001 0.000 0.251 1448 N C 0.046 175.698 175.510 0.236 0.000 1.069 1448 N CA -0.145 53.051 53.050 0.243 0.000 0.947 1448 N CB 0.556 39.246 38.487 0.339 0.000 1.111 1448 N HN 0.715 nan 8.380 nan 0.000 0.497 1449 I N 0.265 120.841 120.570 0.009 0.000 3.904 1449 I HA 0.299 4.470 4.170 0.001 0.000 0.333 1449 I C 0.750 176.608 176.117 -0.431 0.000 1.361 1449 I CA -0.341 60.790 61.300 -0.282 0.000 1.116 1449 I CB -0.097 37.693 38.000 -0.351 0.000 1.028 1449 I HN 0.132 nan 8.210 nan 0.000 0.398 1450 N N 2.630 121.234 118.700 -0.159 0.000 2.137 1450 N HA -0.236 4.505 4.740 0.001 0.000 0.190 1450 N C 1.669 176.970 175.510 -0.350 0.000 1.017 1450 N CA 2.090 55.045 53.050 -0.160 0.000 0.859 1450 N CB -0.483 38.131 38.487 0.211 0.000 1.002 1450 N HN 0.766 nan 8.380 nan 0.000 0.428 1451 F N -0.047 119.463 119.950 -0.733 0.000 2.333 1451 F HA -0.033 4.494 4.527 0.000 0.000 0.300 1451 F C 1.823 177.404 175.800 -0.364 0.000 1.083 1451 F CA 0.829 58.404 58.000 -0.708 0.000 1.395 1451 F CB -0.487 37.816 39.000 -1.162 0.000 1.056 1451 F HN 0.033 nan 8.300 nan 0.000 0.529 1452 Q N 0.574 119.773 119.800 -1.002 0.000 2.339 1452 Q HA 0.065 4.406 4.340 0.001 0.000 0.205 1452 Q C 2.052 177.823 176.000 -0.381 0.000 0.925 1452 Q CA 1.370 56.780 55.803 -0.655 0.000 0.898 1452 Q CB 0.541 28.842 28.738 -0.728 0.000 1.013 1452 Q HN 0.598 nan 8.270 nan 0.000 0.504 1453 V N -3.429 116.261 119.914 -0.373 0.000 3.562 1453 V HA 0.302 4.422 4.120 0.001 0.000 0.270 1453 V C 0.335 176.234 176.094 -0.324 0.000 1.418 1453 V CA -0.217 61.904 62.300 -0.299 0.000 1.033 1453 V CB 0.372 32.029 31.823 -0.275 0.000 0.820 1453 V HN -0.075 nan 8.190 nan 0.000 0.441 1454 K N 2.342 122.542 120.400 -0.333 0.000 2.213 1454 K HA 0.429 4.749 4.320 0.001 0.000 0.270 1454 K C -0.295 176.069 176.600 -0.393 0.000 1.002 1454 K CA -0.630 55.424 56.287 -0.390 0.000 0.868 1454 K CB 0.960 33.255 32.500 -0.342 0.000 1.093 1454 K HN 0.158 nan 8.250 nan 0.000 0.454 1455 K N 2.568 122.616 120.400 -0.586 0.000 2.090 1455 K HA 0.083 4.403 4.320 0.001 0.000 0.250 1455 K C 0.241 176.507 176.600 -0.557 0.000 1.004 1455 K CA -0.435 55.482 56.287 -0.616 0.000 0.919 1455 K CB 0.755 32.667 32.500 -0.980 0.000 1.045 1455 K HN 0.605 nan 8.250 nan 0.000 0.471 1456 D N 0.538 120.748 120.400 -0.317 0.000 2.269 1456 D HA -0.105 4.535 4.640 0.001 0.000 0.208 1456 D C 1.408 177.676 176.300 -0.054 0.000 0.963 1456 D CA 0.870 54.801 54.000 -0.114 0.000 0.864 1456 D CB 0.147 40.968 40.800 0.035 0.000 0.936 1456 D HN 0.635 nan 8.370 nan 0.000 0.505 1457 W N -0.442 120.819 121.300 -0.065 0.000 3.278 1457 W HA 0.325 4.985 4.660 0.000 0.000 0.308 1457 W C 0.056 176.538 176.519 -0.061 0.000 1.253 1457 W CA -0.497 56.819 57.345 -0.049 0.000 1.759 1457 W CB -0.788 28.653 29.460 -0.032 0.000 1.093 1457 W HN -0.170 nan 8.180 nan 0.000 0.648 1458 M N 1.970 121.288 119.600 -0.470 0.000 2.216 1458 M HA 0.175 4.656 4.480 0.001 0.000 0.356 1458 M C 1.191 177.378 176.300 -0.187 0.000 1.205 1458 M CA 0.292 55.359 55.300 -0.389 0.000 1.122 1458 M CB 1.983 34.154 32.600 -0.716 0.000 1.571 1458 M HN -0.185 nan 8.290 nan 0.000 0.464 1459 K N 1.982 122.339 120.400 -0.072 0.000 2.107 1459 K HA 0.177 4.498 4.320 0.001 0.000 0.211 1459 K C 0.097 176.657 176.600 -0.066 0.000 1.024 1459 K CA 0.647 56.898 56.287 -0.059 0.000 0.953 1459 K CB 0.241 32.728 32.500 -0.021 0.000 0.831 1459 K HN 0.520 nan 8.250 nan 0.000 0.454 1460 F N 1.871 121.690 119.950 -0.219 0.000 2.404 1460 F HA 0.429 4.957 4.527 0.001 0.000 0.339 1460 F C -0.986 174.699 175.800 -0.193 0.000 1.105 1460 F CA -1.120 56.745 58.000 -0.225 0.000 1.087 1460 F CB 0.939 39.717 39.000 -0.370 0.000 1.143 1460 F HN -0.123 nan 8.300 nan 0.000 0.491 1461 L N 6.288 126.890 121.223 -1.036 0.000 2.441 1461 L HA 0.846 5.186 4.340 0.001 0.000 0.270 1461 L C -0.902 175.190 176.870 -1.297 0.000 0.973 1461 L CA -0.060 54.205 54.840 -0.957 0.000 0.842 1461 L CB 1.580 43.318 42.059 -0.535 0.000 1.239 1461 L HN 0.756 nan 8.230 nan 0.000 0.406 1462 G N 4.724 112.722 108.800 -1.337 0.000 2.619 1462 G HA2 0.543 4.503 3.960 0.001 0.000 0.296 1462 G HA3 0.543 4.503 3.960 0.001 0.000 0.296 1462 G C -0.981 173.793 174.900 -0.209 0.000 1.334 1462 G CA -0.827 43.801 45.100 -0.786 0.000 0.934 1462 G HN 0.430 nan 8.290 nan 0.000 0.476 1463 I N 1.153 121.688 120.570 -0.058 0.000 2.710 1463 I HA 0.204 4.375 4.170 0.001 0.000 0.286 1463 I C 1.114 177.382 176.117 0.252 0.000 1.181 1463 I CA -0.286 61.051 61.300 0.062 0.000 1.430 1463 I CB 0.871 38.888 38.000 0.028 0.000 1.367 1463 I HN 0.517 nan 8.210 nan 0.000 0.577 1464 A N 9.621 132.583 122.820 0.237 0.000 2.279 1464 A HA 0.558 4.878 4.320 0.001 0.000 0.306 1464 A C -2.161 175.487 177.584 0.107 0.000 1.300 1464 A CA -1.329 50.826 52.037 0.198 0.000 0.925 1464 A CB -0.237 18.825 19.000 0.103 0.000 1.152 1464 A HN 0.474 nan 8.150 nan 0.000 0.544 1465 P HA 0.455 nan 4.420 nan 0.000 0.272 1465 P C 0.813 178.150 177.300 0.062 0.000 1.223 1465 P CA 1.062 64.225 63.100 0.104 0.000 0.784 1465 P CB 1.527 33.326 31.700 0.164 0.000 0.923 1466 G N 2.323 111.171 108.800 0.079 0.000 1.844 1466 G HA2 -0.042 3.918 3.960 0.001 0.000 0.177 1466 G HA3 -0.042 3.918 3.960 0.001 0.000 0.177 1466 G C -0.937 174.035 174.900 0.121 0.000 1.010 1466 G CA -0.550 44.600 45.100 0.084 0.000 1.257 1466 G HN 0.640 nan 8.290 nan 0.000 0.428 1467 R N -0.233 120.345 120.500 0.131 0.000 2.855 1467 R HA 0.668 5.008 4.340 0.001 0.000 0.266 1467 R C 0.202 176.599 176.300 0.161 0.000 1.034 1467 R CA -0.301 55.910 56.100 0.185 0.000 0.944 1467 R CB 1.628 32.111 30.300 0.304 0.000 1.219 1467 R HN 0.940 nan 8.270 nan 0.000 0.474 1468 G N 0.332 109.238 108.800 0.177 0.000 2.753 1468 G HA2 0.741 4.701 3.960 0.001 0.000 0.285 1468 G HA3 0.741 4.701 3.960 0.001 0.000 0.285 1468 G C -0.576 174.461 174.900 0.229 0.000 1.344 1468 G CA -0.852 44.358 45.100 0.184 0.000 1.050 1468 G HN 0.616 nan 8.290 nan 0.000 0.532 1469 I N -3.447 117.251 120.570 0.212 0.000 3.042 1469 I HA 0.702 4.873 4.170 0.001 0.000 0.310 1469 I C -1.077 175.154 176.117 0.190 0.000 1.117 1469 I CA -1.159 60.269 61.300 0.213 0.000 1.003 1469 I CB 2.547 40.653 38.000 0.176 0.000 1.228 1469 I HN 0.481 nan 8.210 nan 0.000 0.443 1470 Q N 3.188 123.096 119.800 0.179 0.000 2.331 1470 Q HA 0.563 4.903 4.340 0.001 0.000 0.267 1470 Q C -1.263 174.802 176.000 0.109 0.000 1.006 1470 Q CA -0.795 55.090 55.803 0.136 0.000 0.818 1470 Q CB 2.010 30.835 28.738 0.146 0.000 1.276 1470 Q HN 0.714 nan 8.270 nan 0.000 0.450 1471 I N 4.114 124.735 120.570 0.084 0.000 2.710 1471 I HA -0.080 4.090 4.170 0.001 0.000 0.286 1471 I C 0.887 177.043 176.117 0.064 0.000 1.181 1471 I CA 0.589 61.932 61.300 0.072 0.000 1.430 1471 I CB 0.635 38.673 38.000 0.063 0.000 1.367 1471 I HN 0.729 nan 8.210 nan 0.000 0.577 1472 K N 3.679 124.115 120.400 0.058 0.000 2.335 1472 K HA 0.201 4.521 4.320 0.001 0.000 0.195 1472 K C 0.095 176.717 176.600 0.035 0.000 1.058 1472 K CA 0.281 56.596 56.287 0.046 0.000 0.988 1472 K CB 0.355 32.880 32.500 0.043 0.000 0.880 1472 K HN 0.564 nan 8.250 nan 0.000 0.513 1473 N N 0.219 118.941 118.700 0.037 0.000 2.240 1473 N HA 0.350 5.090 4.740 0.001 0.000 0.302 1473 N C -0.114 175.414 175.510 0.029 0.000 1.106 1473 N CA 0.272 53.340 53.050 0.030 0.000 0.778 1473 N CB 2.192 40.699 38.487 0.033 0.000 1.431 1473 N HN 0.232 nan 8.380 nan 0.000 0.479 1474 G N 0.926 109.734 108.800 0.013 0.000 2.660 1474 G HA2 -0.229 3.732 3.960 0.001 0.000 0.215 1474 G HA3 -0.229 3.732 3.960 0.001 0.000 0.215 1474 G C 0.348 175.217 174.900 -0.053 0.000 1.345 1474 G CA -0.349 44.749 45.100 -0.004 0.000 0.877 1474 G HN 0.602 nan 8.290 nan 0.000 0.549 1475 E N -0.122 120.004 120.200 -0.123 0.000 2.268 1475 E HA -0.075 4.275 4.350 0.001 0.000 0.195 1475 E C 1.058 177.396 176.600 -0.438 0.000 0.995 1475 E CA 0.955 57.186 56.400 -0.281 0.000 0.836 1475 E CB -0.047 29.426 29.700 -0.378 0.000 0.763 1475 E HN 0.522 nan 8.360 nan 0.000 0.491 1476 H N 0.497 119.541 119.070 -0.044 0.000 2.487 1476 H HA 0.149 4.705 4.556 0.001 0.000 0.290 1476 H C 0.112 175.414 175.328 -0.043 0.000 1.081 1476 H CA -0.126 55.884 56.048 -0.064 0.000 1.116 1476 H CB -0.028 29.668 29.762 -0.110 0.000 1.560 1476 H HN -0.005 nan 8.280 nan 0.000 0.548 1477 K N 0.570 120.986 120.400 0.026 0.000 2.530 1477 K HA 0.018 4.339 4.320 0.001 0.000 0.280 1477 K C 1.087 177.703 176.600 0.027 0.000 1.004 1477 K CA 1.268 57.572 56.287 0.028 0.000 1.071 1477 K CB 0.195 32.700 32.500 0.008 0.000 0.876 1477 K HN 0.506 nan 8.250 nan 0.000 0.487 1478 G N 3.314 112.135 108.800 0.036 0.000 2.258 1478 G HA2 -0.325 3.635 3.960 0.001 0.000 0.233 1478 G HA3 -0.325 3.635 3.960 0.001 0.000 0.233 1478 G C 0.169 175.082 174.900 0.021 0.000 1.006 1478 G CA 0.264 45.382 45.100 0.029 0.000 0.620 1478 G HN 0.721 nan 8.290 nan 0.000 0.511 1479 R N 0.993 121.508 120.500 0.024 0.000 2.522 1479 R HA 0.437 4.778 4.340 0.001 0.000 0.284 1479 R C 0.124 176.432 176.300 0.013 0.000 1.032 1479 R CA -0.122 55.977 56.100 -0.002 0.000 1.049 1479 R CB -0.031 30.252 30.300 -0.027 0.000 0.956 1479 R HN 0.325 nan 8.270 nan 0.000 0.422 1480 I N 5.191 125.746 120.570 -0.026 0.000 2.342 1480 I HA 0.183 4.354 4.170 0.001 0.000 0.291 1480 I C -0.520 175.681 176.117 0.139 0.000 1.010 1480 I CA -0.697 60.621 61.300 0.030 0.000 1.308 1480 I CB 1.728 39.679 38.000 -0.082 0.000 1.400 1480 I HN 0.299 nan 8.210 nan 0.000 0.488 1481 V N 7.421 127.458 119.914 0.206 0.000 2.444 1481 V HA 0.392 4.512 4.120 0.001 0.000 0.294 1481 V C -0.229 176.025 176.094 0.266 0.000 1.022 1481 V CA -0.654 61.804 62.300 0.262 0.000 0.850 1481 V CB 2.018 33.958 31.823 0.194 0.000 0.992 1481 V HN 0.390 nan 8.190 nan 0.000 0.426 1482 V N 7.167 127.255 119.914 0.289 0.000 2.376 1482 V HA 0.377 4.497 4.120 0.001 0.000 0.287 1482 V C -2.474 173.715 176.094 0.159 0.000 1.015 1482 V CA -2.085 60.324 62.300 0.181 0.000 0.834 1482 V CB 1.988 33.854 31.823 0.070 0.000 1.001 1482 V HN 0.698 nan 8.190 nan 0.000 0.428 1483 P HA 0.199 nan 4.420 nan 0.000 0.265 1483 P C -0.518 176.858 177.300 0.126 0.000 1.193 1483 P CA 0.419 63.602 63.100 0.138 0.000 0.765 1483 P CB 0.784 32.549 31.700 0.108 0.000 0.823 1484 V N 1.550 121.557 119.914 0.154 0.000 3.182 1484 V HA 0.856 4.976 4.120 0.001 0.000 0.308 1484 V C -1.388 174.890 176.094 0.307 0.000 1.240 1484 V CA -1.158 61.255 62.300 0.188 0.000 1.063 1484 V CB 1.959 33.832 31.823 0.082 0.000 1.076 1484 V HN 0.620 nan 8.190 nan 0.000 0.446 1485 Y N -0.154 120.185 120.300 0.064 0.000 2.609 1485 Y HA 0.924 5.474 4.550 -0.000 0.000 0.336 1485 Y C -1.301 174.699 175.900 0.167 0.000 1.129 1485 Y CA -1.289 56.840 58.100 0.048 0.000 1.040 1485 Y CB 1.691 40.191 38.460 0.066 0.000 1.310 1485 Y HN 1.056 nan 8.280 nan 0.000 0.460 1486 Y N -1.053 119.327 120.300 0.134 0.000 2.644 1486 Y HA 0.865 5.415 4.550 -0.000 0.000 0.338 1486 Y C -0.937 175.080 175.900 0.194 0.000 1.119 1486 Y CA -1.129 56.982 58.100 0.018 0.000 1.060 1486 Y CB 1.378 39.760 38.460 -0.129 0.000 1.294 1486 Y HN 0.802 nan 8.280 nan 0.000 0.472 1487 T N -0.304 114.478 114.554 0.380 0.000 2.885 1487 T HA 0.547 4.897 4.350 0.001 0.000 0.285 1487 T C -0.434 174.459 174.700 0.321 0.000 1.019 1487 T CA -0.868 61.394 62.100 0.270 0.000 1.010 1487 T CB 1.437 70.325 68.868 0.034 0.000 1.022 1487 T HN 0.924 nan 8.240 nan 0.000 0.466 1488 N N 1.174 120.090 118.700 0.360 0.000 2.431 1488 N HA 0.211 4.951 4.740 0.001 0.000 0.289 1488 N C 0.777 176.427 175.510 0.232 0.000 1.277 1488 N CA -0.762 52.530 53.050 0.402 0.000 0.972 1488 N CB 0.029 38.768 38.487 0.421 0.000 1.143 1488 N HN 0.758 nan 8.380 nan 0.000 0.578 1489 E N -0.715 119.620 120.200 0.224 0.000 2.268 1489 E HA -0.103 4.247 4.350 0.001 0.000 0.195 1489 E C 0.757 177.421 176.600 0.106 0.000 0.995 1489 E CA 0.953 57.438 56.400 0.141 0.000 0.836 1489 E CB -0.130 29.648 29.700 0.129 0.000 0.763 1489 E HN 0.535 nan 8.360 nan 0.000 0.491 1490 K N -0.533 119.935 120.400 0.112 0.000 2.444 1490 K HA 0.081 4.402 4.320 0.001 0.000 0.193 1490 K C 0.994 177.662 176.600 0.113 0.000 1.024 1490 K CA 0.446 56.793 56.287 0.099 0.000 1.077 1490 K CB 0.673 33.227 32.500 0.089 0.000 0.833 1490 K HN 0.202 nan 8.250 nan 0.000 0.517 1491 G N 1.592 110.460 108.800 0.113 0.000 2.157 1491 G HA2 -0.222 3.738 3.960 0.001 0.000 0.248 1491 G HA3 -0.222 3.738 3.960 0.001 0.000 0.248 1491 G C -0.288 174.687 174.900 0.124 0.000 0.979 1491 G CA -0.117 45.039 45.100 0.093 0.000 0.650 1491 G HN 0.057 nan 8.290 nan 0.000 0.529 1492 K N 0.674 121.166 120.400 0.153 0.000 2.143 1492 K HA 0.485 4.806 4.320 0.001 0.000 0.272 1492 K C 0.531 177.241 176.600 0.185 0.000 1.001 1492 K CA -0.326 56.061 56.287 0.166 0.000 0.915 1492 K CB 1.179 33.762 32.500 0.138 0.000 1.047 1492 K HN 0.523 nan 8.250 nan 0.000 0.458 1493 Q N 0.719 120.636 119.800 0.194 0.000 2.241 1493 Q HA 0.381 4.721 4.340 0.001 0.000 0.254 1493 Q C -0.653 175.396 176.000 0.083 0.000 0.917 1493 Q CA -0.346 55.584 55.803 0.211 0.000 0.919 1493 Q CB 1.564 30.498 28.738 0.326 0.000 1.237 1493 Q HN 0.406 nan 8.270 nan 0.000 0.434 1494 S N 0.864 116.511 115.700 -0.088 0.000 2.547 1494 S HA 0.423 4.894 4.470 0.001 0.000 0.281 1494 S C -0.801 173.575 174.600 -0.373 0.000 1.118 1494 S CA -0.771 57.278 58.200 -0.252 0.000 0.947 1494 S CB 1.887 64.893 63.200 -0.324 0.000 1.053 1494 S HN 0.514 nan 8.310 nan 0.000 0.482 1495 S N 1.630 117.207 115.700 -0.205 0.000 2.603 1495 S HA 0.875 5.346 4.470 0.001 0.000 0.268 1495 S C 0.223 174.744 174.600 -0.131 0.000 1.317 1495 S CA -0.415 57.705 58.200 -0.134 0.000 1.012 1495 S CB 1.193 64.293 63.200 -0.168 0.000 0.926 1495 S HN 1.032 nan 8.310 nan 0.000 0.539 1496 A N 0.481 123.312 122.820 0.019 0.000 2.467 1496 A HA 0.740 5.061 4.320 0.001 0.000 0.301 1496 A C -1.121 176.602 177.584 0.231 0.000 1.126 1496 A CA -0.559 51.580 52.037 0.169 0.000 0.632 1496 A CB 0.418 19.635 19.000 0.361 0.000 1.331 1496 A HN 1.303 nan 8.150 nan 0.000 0.482 1497 V N -0.888 119.247 119.914 0.369 0.000 2.823 1497 V HA 0.865 4.985 4.120 0.001 0.000 0.312 1497 V C -0.195 176.090 176.094 0.319 0.000 1.072 1497 V CA -0.605 61.901 62.300 0.343 0.000 0.937 1497 V CB 1.306 33.383 31.823 0.423 0.000 1.013 1497 V HN 1.417 nan 8.190 nan 0.000 0.430 1498 I N 2.386 123.098 120.570 0.236 0.000 2.566 1498 I HA 0.907 5.077 4.170 0.001 0.000 0.303 1498 I C -0.629 175.724 176.117 0.393 0.000 0.983 1498 I CA -0.727 60.684 61.300 0.185 0.000 1.235 1498 I CB 1.776 39.817 38.000 0.067 0.000 1.386 1498 I HN 0.958 nan 8.210 nan 0.000 0.494 1499 Y N 1.780 122.257 120.300 0.295 0.000 2.609 1499 Y HA 0.755 5.304 4.550 -0.001 0.000 0.336 1499 Y C -0.990 174.780 175.900 -0.217 0.000 1.129 1499 Y CA -1.262 56.909 58.100 0.119 0.000 1.040 1499 Y CB 1.158 39.627 38.460 0.014 0.000 1.310 1499 Y HN 0.671 nan 8.280 nan 0.000 0.460 1500 S N 0.542 116.008 115.700 -0.390 0.000 2.557 1500 S HA 0.404 4.875 4.470 0.001 0.000 0.291 1500 S C -0.919 173.492 174.600 -0.315 0.000 1.116 1500 S CA -0.608 57.164 58.200 -0.713 0.000 0.992 1500 S CB 1.025 63.234 63.200 -1.652 0.000 1.028 1500 S HN 0.771 nan 8.310 nan 0.000 0.484 1501 D N 2.093 122.379 120.400 -0.189 0.000 2.369 1501 D HA 0.119 4.759 4.640 0.001 0.000 0.211 1501 D C -0.166 176.063 176.300 -0.119 0.000 1.077 1501 D CA 0.299 54.244 54.000 -0.092 0.000 0.842 1501 D CB 0.411 41.208 40.800 -0.005 0.000 0.947 1501 D HN 0.736 nan 8.370 nan 0.000 0.509 1502 D N -0.623 119.661 120.400 -0.194 0.000 3.010 1502 D HA 0.096 4.736 4.640 0.001 0.000 0.347 1502 D C -0.127 176.081 176.300 -0.153 0.000 1.340 1502 D CA -0.745 53.169 54.000 -0.143 0.000 0.858 1502 D CB 0.144 40.873 40.800 -0.119 0.000 1.111 1502 D HN -0.318 nan 8.370 nan 0.000 0.482 1503 S N -0.423 115.189 115.700 -0.146 0.000 3.635 1503 S HA -0.070 4.401 4.470 0.001 0.000 0.328 1503 S C 1.429 176.004 174.600 -0.041 0.000 1.135 1503 S CA 0.937 59.107 58.200 -0.051 0.000 0.942 1503 S CB -1.636 61.574 63.200 0.017 0.000 0.930 1503 S HN 1.395 nan 8.310 nan 0.000 0.512 1504 G N 0.240 108.808 108.800 -0.386 0.000 2.176 1504 G HA2 -0.364 3.596 3.960 0.001 0.000 0.253 1504 G HA3 -0.364 3.596 3.960 0.001 0.000 0.253 1504 G C 0.574 175.372 174.900 -0.169 0.000 0.979 1504 G CA 1.097 45.882 45.100 -0.525 0.000 0.641 1504 G HN 0.670 nan 8.290 nan 0.000 0.530 1505 K N -0.242 120.060 120.400 -0.164 0.000 2.062 1505 K HA 0.031 4.352 4.320 0.001 0.000 0.205 1505 K C 0.644 177.215 176.600 -0.049 0.000 1.051 1505 K CA 1.136 57.402 56.287 -0.034 0.000 0.941 1505 K CB -0.051 32.426 32.500 -0.039 0.000 0.719 1505 K HN 0.424 nan 8.250 nan 0.000 0.440 1506 N N -0.916 117.624 118.700 -0.268 0.000 2.229 1506 N HA 0.179 4.919 4.740 0.001 0.000 0.298 1506 N C -1.656 173.534 175.510 -0.532 0.000 1.114 1506 N CA -0.468 52.449 53.050 -0.221 0.000 0.776 1506 N CB 1.358 39.757 38.487 -0.147 0.000 1.501 1506 N HN -0.002 nan 8.380 nan 0.000 0.474 1507 W N -0.065 121.085 121.300 -0.250 0.000 2.864 1507 W HA 0.502 5.167 4.660 0.008 0.000 0.343 1507 W C -0.241 176.054 176.519 -0.375 0.000 1.109 1507 W CA -0.332 56.831 57.345 -0.304 0.000 1.192 1507 W CB 1.739 31.018 29.460 -0.301 0.000 1.426 1507 W HN 0.136 nan 8.180 nan 0.000 0.529 1508 T N 2.708 117.087 114.554 -0.292 0.000 2.912 1508 T HA 0.486 4.836 4.350 0.001 0.000 0.299 1508 T C -1.145 173.262 174.700 -0.488 0.000 1.052 1508 T CA -0.648 61.173 62.100 -0.464 0.000 0.996 1508 T CB 1.582 70.025 68.868 -0.709 0.000 1.070 1508 T HN 0.356 nan 8.240 nan 0.000 0.465 1509 I N 2.185 122.589 120.570 -0.276 0.000 2.396 1509 I HA 0.617 4.787 4.170 0.001 0.000 0.292 1509 I C 0.883 177.001 176.117 0.002 0.000 0.999 1509 I CA -0.080 61.146 61.300 -0.123 0.000 1.310 1509 I CB 0.716 38.660 38.000 -0.093 0.000 1.404 1509 I HN 0.744 nan 8.210 nan 0.000 0.496 1510 G N 5.212 114.146 108.800 0.223 0.000 2.547 1510 G HA2 0.265 4.226 3.960 0.001 0.000 0.291 1510 G HA3 0.265 4.226 3.960 0.001 0.000 0.291 1510 G C -0.527 174.581 174.900 0.345 0.000 1.211 1510 G CA -0.529 44.786 45.100 0.359 0.000 0.950 1510 G HN 0.702 nan 8.290 nan 0.000 0.504 1511 E N -0.517 119.892 120.200 0.348 0.000 2.422 1511 E HA 0.213 4.563 4.350 0.001 0.000 0.260 1511 E C 0.310 177.219 176.600 0.515 0.000 1.108 1511 E CA 0.031 56.668 56.400 0.395 0.000 0.943 1511 E CB 0.767 30.667 29.700 0.333 0.000 0.961 1511 E HN 0.300 nan 8.360 nan 0.000 0.443 1512 S N 1.214 117.169 115.700 0.425 0.000 2.601 1512 S HA 0.122 4.593 4.470 0.001 0.000 0.271 1512 S C -1.827 172.859 174.600 0.144 0.000 1.305 1512 S CA -1.550 56.786 58.200 0.227 0.000 1.022 1512 S CB 0.668 63.962 63.200 0.155 0.000 0.940 1512 S HN 0.207 nan 8.310 nan 0.000 0.525 1513 P HA -0.026 nan 4.420 nan 0.000 0.223 1513 P C 0.615 177.924 177.300 0.015 0.000 1.144 1513 P CA 0.808 63.836 63.100 -0.121 0.000 0.783 1513 P CB 0.033 31.519 31.700 -0.356 0.000 0.771 1514 N N -0.795 117.914 118.700 0.016 0.000 2.515 1514 N HA -0.043 4.698 4.740 0.001 0.000 0.185 1514 N C -0.102 175.465 175.510 0.095 0.000 1.109 1514 N CA 0.789 53.870 53.050 0.051 0.000 0.903 1514 N CB -0.448 38.062 38.487 0.038 0.000 0.969 1514 N HN 0.161 nan 8.380 nan 0.000 0.450 1515 D N 1.760 122.246 120.400 0.142 0.000 2.325 1515 D HA 0.113 4.754 4.640 0.001 0.000 0.251 1515 D C 0.331 176.706 176.300 0.124 0.000 1.196 1515 D CA 0.026 54.114 54.000 0.145 0.000 0.866 1515 D CB 0.266 41.184 40.800 0.197 0.000 1.101 1515 D HN 0.034 nan 8.370 nan 0.000 0.476 1516 N N 1.442 120.195 118.700 0.088 0.000 2.747 1516 N HA -0.236 4.504 4.740 0.001 0.000 0.249 1516 N C 0.132 175.691 175.510 0.083 0.000 1.107 1516 N CA 0.469 53.565 53.050 0.078 0.000 0.707 1516 N CB -0.920 37.617 38.487 0.082 0.000 1.054 1516 N HN 0.544 nan 8.380 nan 0.000 0.555 1517 R N 1.557 122.104 120.500 0.078 0.000 2.490 1517 R HA 0.188 4.529 4.340 0.001 0.000 0.280 1517 R C 0.228 176.565 176.300 0.061 0.000 1.077 1517 R CA -0.120 56.024 56.100 0.073 0.000 1.065 1517 R CB 0.687 31.023 30.300 0.061 0.000 1.003 1517 R HN 0.077 nan 8.270 nan 0.000 0.470 1518 K N 5.816 126.253 120.400 0.063 0.000 2.264 1518 K HA 0.217 4.538 4.320 0.001 0.000 0.277 1518 K C -0.378 176.250 176.600 0.047 0.000 1.067 1518 K CA -0.475 55.844 56.287 0.054 0.000 0.900 1518 K CB 0.605 33.141 32.500 0.060 0.000 1.124 1518 K HN 0.511 nan 8.250 nan 0.000 0.469 1519 L N 3.154 124.400 121.223 0.038 0.000 2.475 1519 L HA 0.113 4.454 4.340 0.001 0.000 0.253 1519 L C 1.507 178.395 176.870 0.030 0.000 1.198 1519 L CA -0.194 54.665 54.840 0.033 0.000 0.814 1519 L CB 0.456 42.532 42.059 0.028 0.000 1.134 1519 L HN 0.741 nan 8.230 nan 0.000 0.478 1520 E N 0.743 120.959 120.200 0.026 0.000 2.153 1520 E HA -0.214 4.136 4.350 0.001 0.000 0.194 1520 E C 1.231 177.843 176.600 0.020 0.000 0.988 1520 E CA 1.437 57.850 56.400 0.022 0.000 0.811 1520 E CB -0.128 29.583 29.700 0.018 0.000 0.746 1520 E HN 0.662 nan 8.360 nan 0.000 0.466 1521 N N -0.397 118.314 118.700 0.019 0.000 2.461 1521 N HA 0.003 4.744 4.740 0.001 0.000 0.188 1521 N C 1.110 176.631 175.510 0.019 0.000 1.134 1521 N CA 0.946 54.006 53.050 0.017 0.000 0.878 1521 N CB 0.547 39.043 38.487 0.016 0.000 0.972 1521 N HN 0.191 nan 8.380 nan 0.000 0.456 1522 G N -0.306 108.507 108.800 0.023 0.000 2.241 1522 G HA2 -0.350 3.611 3.960 0.001 0.000 0.244 1522 G HA3 -0.350 3.611 3.960 0.001 0.000 0.244 1522 G C -0.011 174.904 174.900 0.026 0.000 0.998 1522 G CA 0.207 45.322 45.100 0.025 0.000 0.621 1522 G HN 0.631 nan 8.290 nan 0.000 0.519 1523 K N 1.111 121.525 120.400 0.024 0.000 2.448 1523 K HA 0.329 4.649 4.320 0.001 0.000 0.278 1523 K C 0.306 176.923 176.600 0.028 0.000 1.009 1523 K CA -0.271 56.030 56.287 0.023 0.000 0.995 1523 K CB 0.060 32.573 32.500 0.021 0.000 0.917 1523 K HN 0.109 nan 8.250 nan 0.000 0.481 1524 I N 7.317 127.903 120.570 0.028 0.000 2.304 1524 I HA 0.198 4.368 4.170 0.001 0.000 0.291 1524 I C 0.528 176.662 176.117 0.028 0.000 1.018 1524 I CA -0.517 60.802 61.300 0.032 0.000 1.260 1524 I CB 0.183 38.202 38.000 0.033 0.000 1.390 1524 I HN 0.555 nan 8.210 nan 0.000 0.475 1525 I N 4.268 124.858 120.570 0.033 0.000 3.076 1525 I HA 0.630 4.801 4.170 0.001 0.000 0.313 1525 I C -0.274 175.863 176.117 0.033 0.000 1.053 1525 I CA -0.748 60.569 61.300 0.029 0.000 1.048 1525 I CB 2.096 40.115 38.000 0.033 0.000 1.264 1525 I HN 0.460 nan 8.210 nan 0.000 0.498 1526 N N 0.355 119.069 118.700 0.023 0.000 2.284 1526 N HA 0.207 4.948 4.740 0.001 0.000 0.289 1526 N C 0.373 175.906 175.510 0.038 0.000 1.179 1526 N CA -0.091 52.973 53.050 0.023 0.000 0.774 1526 N CB 2.347 40.816 38.487 -0.031 0.000 1.548 1526 N HN 0.860 nan 8.380 nan 0.000 0.473 1527 S N 1.427 117.187 115.700 0.099 0.000 2.453 1527 S HA -0.082 4.388 4.470 0.001 0.000 0.231 1527 S C 1.550 176.235 174.600 0.141 0.000 1.005 1527 S CA 0.804 59.123 58.200 0.199 0.000 0.949 1527 S CB 0.028 63.475 63.200 0.412 0.000 0.774 1527 S HN 0.674 nan 8.310 nan 0.000 0.510 1528 K N 1.501 121.778 120.400 -0.206 0.000 2.167 1528 K HA -0.048 4.273 4.320 0.001 0.000 0.203 1528 K C 1.885 178.343 176.600 -0.237 0.000 1.052 1528 K CA 1.577 57.495 56.287 -0.616 0.000 0.956 1528 K CB -0.238 31.535 32.500 -1.213 0.000 0.735 1528 K HN 0.630 nan 8.250 nan 0.000 0.451 1529 T N -1.183 113.291 114.554 -0.132 0.000 3.022 1529 T HA 0.103 4.454 4.350 0.001 0.000 0.250 1529 T C 0.533 175.234 174.700 0.002 0.000 1.060 1529 T CA -0.532 61.532 62.100 -0.061 0.000 1.013 1529 T CB -0.039 68.790 68.868 -0.065 0.000 0.982 1529 T HN 0.057 nan 8.240 nan 0.000 0.508 1530 L N 3.116 124.358 121.223 0.030 0.000 2.667 1530 L HA 0.161 4.501 4.340 0.001 0.000 0.278 1530 L C 0.682 177.588 176.870 0.060 0.000 1.217 1530 L CA 0.594 55.466 54.840 0.052 0.000 0.935 1530 L CB 0.187 42.291 42.059 0.076 0.000 1.193 1530 L HN 0.200 nan 8.230 nan 0.000 0.493 1531 S N 2.228 117.958 115.700 0.049 0.000 2.578 1531 S HA 0.296 4.767 4.470 0.001 0.000 0.228 1531 S C -0.174 174.458 174.600 0.053 0.000 1.022 1531 S CA -0.383 57.847 58.200 0.051 0.000 0.967 1531 S CB 0.180 63.402 63.200 0.037 0.000 0.914 1531 S HN 0.713 nan 8.310 nan 0.000 0.515 1532 D N 1.337 121.767 120.400 0.050 0.000 2.299 1532 D HA 0.299 4.939 4.640 0.001 0.000 0.243 1532 D C -0.119 176.213 176.300 0.052 0.000 0.982 1532 D CA -0.459 53.568 54.000 0.045 0.000 0.924 1532 D CB 1.326 42.146 40.800 0.033 0.000 1.238 1532 D HN -0.157 nan 8.370 nan 0.000 0.484 1533 D N 0.642 121.069 120.400 0.046 0.000 2.194 1533 D HA -0.046 4.594 4.640 0.001 0.000 0.204 1533 D C 1.814 178.127 176.300 0.021 0.000 0.964 1533 D CA 0.595 54.622 54.000 0.044 0.000 0.846 1533 D CB 0.048 40.867 40.800 0.032 0.000 0.962 1533 D HN 0.437 nan 8.370 nan 0.000 0.490 1534 A N 1.580 124.408 122.820 0.012 0.000 1.908 1534 A HA -0.122 4.198 4.320 0.001 0.000 0.218 1534 A C -0.393 177.197 177.584 0.010 0.000 1.181 1534 A CA 1.155 53.193 52.037 0.002 0.000 0.627 1534 A CB -1.415 17.588 19.000 0.005 0.000 0.818 1534 A HN 0.209 nan 8.150 nan 0.000 0.445 1535 P HA 0.083 nan 4.420 nan 0.000 0.253 1535 P C -0.064 177.253 177.300 0.029 0.000 1.260 1535 P CA -0.016 63.099 63.100 0.025 0.000 0.800 1535 P CB 0.021 31.738 31.700 0.029 0.000 1.162 1536 Q N 0.361 120.184 119.800 0.039 0.000 2.361 1536 Q HA 0.235 4.575 4.340 0.001 0.000 0.276 1536 Q C -0.304 175.724 176.000 0.046 0.000 1.022 1536 Q CA 0.443 56.281 55.803 0.060 0.000 0.898 1536 Q CB 0.425 29.220 28.738 0.096 0.000 1.246 1536 Q HN 0.195 nan 8.270 nan 0.000 0.410 1537 L N 1.694 122.933 121.223 0.026 0.000 2.410 1537 L HA 0.433 4.774 4.340 0.001 0.000 0.270 1537 L C 0.427 177.282 176.870 -0.026 0.000 0.983 1537 L CA -0.412 54.417 54.840 -0.017 0.000 0.822 1537 L CB 1.936 43.953 42.059 -0.070 0.000 1.285 1537 L HN 0.849 nan 8.230 nan 0.000 0.409 1538 T N -1.299 113.196 114.554 -0.099 0.000 1.654 1538 T HA 0.337 4.687 4.350 0.001 0.000 0.183 1538 T C 0.235 174.584 174.700 -0.586 0.000 0.710 1538 T CA -0.589 61.338 62.100 -0.289 0.000 1.182 1538 T CB 0.080 68.785 68.868 -0.271 0.000 3.311 1538 T HN 0.450 nan 8.240 nan 0.000 0.424 1539 E N 0.913 120.574 120.200 -0.898 0.000 2.437 1539 E HA 0.417 4.768 4.350 0.001 0.000 0.263 1539 E C -0.184 176.228 176.600 -0.313 0.000 1.030 1539 E CA -0.085 55.920 56.400 -0.657 0.000 0.934 1539 E CB 0.177 29.535 29.700 -0.569 0.000 0.943 1539 E HN 0.795 nan 8.360 nan 0.000 0.444 1540 C N 0.700 119.897 119.300 -0.172 0.000 3.288 1540 C HA 0.579 5.039 4.460 0.001 0.000 0.318 1540 C C -1.310 173.673 174.990 -0.013 0.000 1.356 1540 C CA -1.114 57.862 59.018 -0.070 0.000 1.359 1540 C CB 1.675 29.377 27.740 -0.063 0.000 1.688 1540 C HN 0.591 nan 8.230 nan 0.000 0.467 1541 Q N 0.301 120.125 119.800 0.041 0.000 2.456 1541 Q HA 0.786 5.127 4.340 0.001 0.000 0.283 1541 Q C -1.392 174.668 176.000 0.100 0.000 1.084 1541 Q CA -0.523 55.308 55.803 0.046 0.000 0.801 1541 Q CB 2.614 31.340 28.738 -0.019 0.000 1.434 1541 Q HN 0.924 nan 8.270 nan 0.000 0.419 1542 V N 1.308 121.290 119.914 0.112 0.000 2.680 1542 V HA 0.806 4.926 4.120 0.001 0.000 0.309 1542 V C -0.838 175.339 176.094 0.138 0.000 1.052 1542 V CA -0.569 61.843 62.300 0.187 0.000 0.908 1542 V CB 1.980 33.950 31.823 0.245 0.000 1.001 1542 V HN 0.603 nan 8.190 nan 0.000 0.431 1543 V N 2.719 122.742 119.914 0.182 0.000 3.141 1543 V HA 0.733 4.853 4.120 0.001 0.000 0.312 1543 V C -0.647 175.567 176.094 0.201 0.000 1.157 1543 V CA -0.799 61.595 62.300 0.157 0.000 1.041 1543 V CB 1.893 33.780 31.823 0.107 0.000 1.071 1543 V HN 0.975 nan 8.190 nan 0.000 0.441 1544 E N 1.803 122.091 120.200 0.147 0.000 2.183 1544 E HA 0.503 4.854 4.350 0.001 0.000 0.271 1544 E C -0.844 175.784 176.600 0.047 0.000 0.919 1544 E CA -0.973 55.491 56.400 0.106 0.000 0.781 1544 E CB 1.620 31.371 29.700 0.085 0.000 1.140 1544 E HN 0.695 nan 8.360 nan 0.000 0.402 1545 M N 3.668 123.252 119.600 -0.026 0.000 2.197 1545 M HA 0.208 4.688 4.480 0.001 0.000 0.305 1545 M C -1.734 174.466 176.300 -0.166 0.000 1.162 1545 M CA -2.308 52.845 55.300 -0.246 0.000 1.099 1545 M CB -0.391 31.899 32.600 -0.517 0.000 1.430 1545 M HN 0.360 nan 8.290 nan 0.000 0.481 1546 P HA -0.142 nan 4.420 nan 0.000 0.217 1546 P C 0.674 177.987 177.300 0.022 0.000 1.148 1546 P CA 1.375 64.438 63.100 -0.062 0.000 0.828 1546 P CB -0.023 31.657 31.700 -0.034 0.000 0.783 1547 N N -1.818 116.925 118.700 0.073 0.000 2.280 1547 N HA 0.086 4.827 4.740 0.001 0.000 0.192 1547 N C 1.204 176.771 175.510 0.095 0.000 1.109 1547 N CA 0.780 53.898 53.050 0.113 0.000 0.855 1547 N CB -0.309 38.291 38.487 0.189 0.000 0.974 1547 N HN 0.197 nan 8.380 nan 0.000 0.482 1548 G N -0.010 108.833 108.800 0.072 0.000 2.238 1548 G HA2 -0.294 3.667 3.960 0.001 0.000 0.217 1548 G HA3 -0.294 3.667 3.960 0.001 0.000 0.217 1548 G C -0.173 174.780 174.900 0.088 0.000 0.996 1548 G CA 0.094 45.239 45.100 0.074 0.000 0.632 1548 G HN 0.600 nan 8.290 nan 0.000 0.503 1549 Q N 0.716 120.593 119.800 0.129 0.000 2.333 1549 Q HA 0.413 4.754 4.340 0.001 0.000 0.299 1549 Q C 0.219 176.277 176.000 0.097 0.000 1.067 1549 Q CA 0.263 56.152 55.803 0.143 0.000 0.943 1549 Q CB 0.192 29.106 28.738 0.293 0.000 1.233 1549 Q HN 0.506 nan 8.270 nan 0.000 0.401 1550 L N 3.507 124.759 121.223 0.048 0.000 2.334 1550 L HA 0.520 4.860 4.340 0.001 0.000 0.275 1550 L C -0.227 176.833 176.870 0.316 0.000 1.036 1550 L CA -0.879 54.053 54.840 0.153 0.000 0.807 1550 L CB 1.421 43.540 42.059 0.100 0.000 1.231 1550 L HN 0.510 nan 8.230 nan 0.000 0.438 1551 K N 3.185 123.845 120.400 0.434 0.000 2.376 1551 K HA 0.502 4.822 4.320 0.001 0.000 0.257 1551 K C -1.325 175.613 176.600 0.563 0.000 0.939 1551 K CA -0.742 55.873 56.287 0.547 0.000 0.809 1551 K CB 2.684 35.608 32.500 0.707 0.000 1.121 1551 K HN 0.275 nan 8.250 nan 0.000 0.425 1552 L N 4.067 125.533 121.223 0.405 0.000 2.294 1552 L HA 0.449 4.789 4.340 0.001 0.000 0.283 1552 L C -1.302 175.697 176.870 0.216 0.000 1.015 1552 L CA -0.396 54.559 54.840 0.192 0.000 0.831 1552 L CB 0.298 42.137 42.059 -0.365 0.000 1.217 1552 L HN 0.328 nan 8.230 nan 0.000 0.420 1553 F N 5.847 125.811 119.950 0.022 0.000 2.411 1553 F HA 0.561 5.088 4.527 0.001 0.000 0.355 1553 F C 0.192 175.978 175.800 -0.023 0.000 1.117 1553 F CA -0.278 57.743 58.000 0.035 0.000 1.139 1553 F CB 1.121 40.184 39.000 0.105 0.000 1.120 1553 F HN 0.340 nan 8.300 nan 0.000 0.493 1554 M N 3.770 123.413 119.600 0.072 0.000 2.326 1554 M HA 0.390 4.871 4.480 0.001 0.000 0.306 1554 M C -0.098 176.187 176.300 -0.025 0.000 1.054 1554 M CA -0.802 54.485 55.300 -0.022 0.000 0.922 1554 M CB 2.512 35.064 32.600 -0.080 0.000 1.632 1554 M HN 0.461 nan 8.290 nan 0.000 0.436 1555 R N 2.846 123.296 120.500 -0.083 0.000 2.585 1555 R HA 0.166 4.506 4.340 0.001 0.000 0.275 1555 R C -0.739 175.568 176.300 0.011 0.000 1.018 1555 R CA 0.781 56.834 56.100 -0.079 0.000 1.072 1555 R CB 0.285 30.439 30.300 -0.244 0.000 0.953 1555 R HN 0.973 nan 8.270 nan 0.000 0.419 1556 N N 1.667 120.440 118.700 0.121 0.000 3.364 1556 N HA 0.137 4.877 4.740 0.001 0.000 0.294 1556 N C -0.716 174.866 175.510 0.120 0.000 1.562 1556 N CA -0.924 52.198 53.050 0.121 0.000 0.862 1556 N CB 0.698 39.211 38.487 0.044 0.000 1.691 1556 N HN 0.400 nan 8.380 nan 0.000 0.572 1557 L N 0.280 121.503 121.223 0.001 0.000 2.728 1557 L HA 0.270 4.610 4.340 0.001 0.000 0.238 1557 L C 1.512 178.346 176.870 -0.060 0.000 1.143 1557 L CA 0.174 54.947 54.840 -0.112 0.000 0.937 1557 L CB 0.044 41.993 42.059 -0.182 0.000 1.225 1557 L HN 0.804 nan 8.230 nan 0.000 0.507 1558 S N -0.852 114.846 115.700 -0.004 0.000 2.489 1558 S HA 0.031 4.501 4.470 0.001 0.000 0.228 1558 S C 1.684 176.281 174.600 -0.004 0.000 0.995 1558 S CA 0.746 58.967 58.200 0.035 0.000 0.934 1558 S CB 0.198 63.458 63.200 0.100 0.000 0.771 1558 S HN 0.517 nan 8.310 nan 0.000 0.522 1559 G N -0.527 108.211 108.800 -0.103 0.000 2.195 1559 G HA2 -0.229 3.731 3.960 0.001 0.000 0.246 1559 G HA3 -0.229 3.731 3.960 0.001 0.000 0.246 1559 G C -0.084 174.456 174.900 -0.600 0.000 0.984 1559 G CA 0.421 45.319 45.100 -0.335 0.000 0.633 1559 G HN 0.607 nan 8.290 nan 0.000 0.525 1560 Y N -1.352 118.937 120.300 -0.019 0.000 2.609 1560 Y HA 0.671 5.221 4.550 0.000 0.000 0.342 1560 Y C 0.316 176.188 175.900 -0.047 0.000 1.058 1560 Y CA -1.284 56.791 58.100 -0.041 0.000 1.055 1560 Y CB 1.223 39.656 38.460 -0.046 0.000 1.292 1560 Y HN 0.230 nan 8.280 nan 0.000 0.476 1561 L N 2.340 123.620 121.223 0.096 0.000 2.514 1561 L HA 0.123 4.463 4.340 0.001 0.000 0.280 1561 L C -0.659 176.197 176.870 -0.022 0.000 1.223 1561 L CA 0.538 55.374 54.840 -0.007 0.000 0.864 1561 L CB -0.084 41.888 42.059 -0.146 0.000 1.118 1561 L HN 0.660 nan 8.230 nan 0.000 0.494 1562 N N 5.130 123.802 118.700 -0.046 0.000 2.314 1562 N HA 0.622 5.362 4.740 0.001 0.000 0.304 1562 N C -1.300 174.126 175.510 -0.140 0.000 1.073 1562 N CA -0.731 52.282 53.050 -0.062 0.000 0.822 1562 N CB 1.630 40.099 38.487 -0.032 0.000 1.280 1562 N HN 0.491 nan 8.380 nan 0.000 0.489 1563 I N 1.578 122.070 120.570 -0.130 0.000 2.534 1563 I HA 0.447 4.618 4.170 0.001 0.000 0.288 1563 I C -0.558 175.546 176.117 -0.020 0.000 1.077 1563 I CA -0.625 60.580 61.300 -0.159 0.000 1.051 1563 I CB 1.933 39.796 38.000 -0.228 0.000 1.234 1563 I HN 0.473 nan 8.210 nan 0.000 0.425 1564 A N 4.059 126.872 122.820 -0.011 0.000 2.311 1564 A HA 0.923 5.243 4.320 0.001 0.000 0.334 1564 A C -0.411 177.361 177.584 0.313 0.000 1.139 1564 A CA -0.448 51.630 52.037 0.068 0.000 0.830 1564 A CB 1.364 20.250 19.000 -0.189 0.000 1.234 1564 A HN 0.606 nan 8.150 nan 0.000 0.483 1565 T N 1.043 115.829 114.554 0.386 0.000 2.848 1565 T HA 0.576 4.926 4.350 0.001 0.000 0.285 1565 T C -0.505 174.132 174.700 -0.105 0.000 0.995 1565 T CA -0.323 61.898 62.100 0.201 0.000 0.970 1565 T CB 1.366 70.232 68.868 -0.004 0.000 0.976 1565 T HN 0.740 nan 8.240 nan 0.000 0.441 1566 S N 1.650 117.087 115.700 -0.438 0.000 2.519 1566 S HA 0.549 5.019 4.470 0.001 0.000 0.309 1566 S C -0.058 174.138 174.600 -0.673 0.000 1.100 1566 S CA -0.795 56.850 58.200 -0.924 0.000 1.059 1566 S CB 0.336 62.612 63.200 -1.539 0.000 1.008 1566 S HN 0.606 nan 8.310 nan 0.000 0.478 1567 F N 1.860 121.658 119.950 -0.253 0.000 2.776 1567 F HA 0.212 4.738 4.527 -0.001 0.000 0.300 1567 F C 1.138 176.861 175.800 -0.128 0.000 1.116 1567 F CA -0.414 57.497 58.000 -0.149 0.000 1.375 1567 F CB 0.377 39.294 39.000 -0.139 0.000 1.109 1567 F HN 0.556 nan 8.300 nan 0.000 0.585 1568 D N -1.152 119.174 120.400 -0.123 0.000 2.804 1568 D HA 0.245 4.886 4.640 0.001 0.000 0.308 1568 D C 1.200 177.220 176.300 -0.467 0.000 1.371 1568 D CA -0.185 53.740 54.000 -0.125 0.000 0.823 1568 D CB 0.085 40.834 40.800 -0.084 0.000 1.126 1568 D HN 0.158 nan 8.370 nan 0.000 0.467 1569 G N -0.292 108.242 108.800 -0.442 0.000 2.160 1569 G HA2 -0.012 3.949 3.960 0.001 0.000 0.251 1569 G HA3 -0.012 3.949 3.960 0.001 0.000 0.251 1569 G C 1.157 175.657 174.900 -0.668 0.000 1.008 1569 G CA 0.380 45.110 45.100 -0.617 0.000 0.724 1569 G HN 1.482 nan 8.290 nan 0.000 0.514 1570 G N -1.802 106.592 108.800 -0.677 0.000 2.176 1570 G HA2 0.120 4.080 3.960 0.001 0.000 0.232 1570 G HA3 0.120 4.080 3.960 0.001 0.000 0.232 1570 G C 1.560 176.242 174.900 -0.363 0.000 0.986 1570 G CA 1.201 45.959 45.100 -0.569 0.000 0.643 1570 G HN 2.022 nan 8.290 nan 0.000 0.522 1571 A N -0.543 122.026 122.820 -0.418 0.000 1.898 1571 A HA 0.457 4.777 4.320 0.001 0.000 0.216 1571 A C 1.654 179.179 177.584 -0.099 0.000 1.181 1571 A CA 2.728 54.696 52.037 -0.114 0.000 0.620 1571 A CB -0.277 18.650 19.000 -0.121 0.000 0.819 1571 A HN 2.029 nan 8.150 nan 0.000 0.442 1572 T N -6.158 108.195 114.554 -0.334 0.000 2.816 1572 T HA 0.562 4.912 4.350 0.001 0.000 0.299 1572 T C -1.280 173.043 174.700 -0.628 0.000 1.230 1572 T CA -0.844 61.119 62.100 -0.229 0.000 1.007 1572 T CB 1.040 69.876 68.868 -0.054 0.000 1.289 1572 T HN 0.350 nan 8.240 nan 0.000 0.508 1573 W N 0.047 121.336 121.300 -0.020 0.000 2.864 1573 W HA 0.589 5.250 4.660 0.002 0.000 0.343 1573 W C -0.280 176.189 176.519 -0.084 0.000 1.109 1573 W CA -0.561 56.730 57.345 -0.089 0.000 1.192 1573 W CB 1.122 30.560 29.460 -0.037 0.000 1.426 1573 W HN 0.932 nan 8.180 nan 0.000 0.529 1574 D N 1.029 121.444 120.400 0.026 0.000 2.400 1574 D HA -0.045 4.595 4.640 0.001 0.000 0.238 1574 D C 1.430 177.816 176.300 0.142 0.000 1.157 1574 D CA 0.363 54.394 54.000 0.051 0.000 0.889 1574 D CB 1.103 41.870 40.800 -0.055 0.000 1.199 1574 D HN 0.622 nan 8.370 nan 0.000 0.436 1575 E N 0.394 120.679 120.200 0.141 0.000 2.338 1575 E HA -0.081 4.269 4.350 0.001 0.000 0.197 1575 E C -0.091 176.580 176.600 0.119 0.000 1.007 1575 E CA 0.531 57.007 56.400 0.126 0.000 0.849 1575 E CB -0.060 29.707 29.700 0.111 0.000 0.774 1575 E HN 0.207 nan 8.360 nan 0.000 0.506 1576 T N 1.800 116.438 114.554 0.140 0.000 2.744 1576 T HA 0.342 4.693 4.350 0.001 0.000 0.291 1576 T C -0.613 174.155 174.700 0.113 0.000 0.957 1576 T CA -0.609 61.565 62.100 0.123 0.000 1.002 1576 T CB 1.817 70.773 68.868 0.146 0.000 0.919 1576 T HN -0.066 nan 8.240 nan 0.000 0.468 1577 V N 4.352 124.310 119.914 0.074 0.000 2.383 1577 V HA 0.257 4.377 4.120 0.001 0.000 0.275 1577 V C 0.603 176.722 176.094 0.042 0.000 1.036 1577 V CA -0.733 61.594 62.300 0.046 0.000 0.889 1577 V CB 1.121 32.951 31.823 0.012 0.000 0.985 1577 V HN 0.838 nan 8.190 nan 0.000 0.459 1578 E N 5.037 125.263 120.200 0.044 0.000 2.313 1578 E HA 0.265 4.615 4.350 0.001 0.000 0.276 1578 E C -0.363 176.240 176.600 0.005 0.000 1.031 1578 E CA -0.620 55.800 56.400 0.035 0.000 0.857 1578 E CB 0.889 30.622 29.700 0.056 0.000 1.040 1578 E HN 0.619 nan 8.360 nan 0.000 0.408 1579 K N 3.833 124.233 120.400 0.000 0.000 2.265 1579 K HA 0.123 4.444 4.320 0.001 0.000 0.267 1579 K C -1.147 175.433 176.600 -0.034 0.000 0.994 1579 K CA -0.682 55.599 56.287 -0.009 0.000 0.860 1579 K CB 1.096 33.593 32.500 -0.004 0.000 1.099 1579 K HN 0.361 nan 8.250 nan 0.000 0.448 1580 D N 3.607 123.991 120.400 -0.027 0.000 2.443 1580 D HA 0.030 4.670 4.640 0.001 0.000 0.221 1580 D C 0.579 176.830 176.300 -0.082 0.000 1.097 1580 D CA -0.263 53.724 54.000 -0.023 0.000 0.865 1580 D CB 1.313 42.134 40.800 0.036 0.000 1.034 1580 D HN 0.697 nan 8.370 nan 0.000 0.511 1581 T N 0.429 114.847 114.554 -0.228 0.000 3.160 1581 T HA -0.015 4.336 4.350 0.001 0.000 0.257 1581 T C 1.058 175.643 174.700 -0.191 0.000 1.147 1581 T CA 0.090 61.870 62.100 -0.533 0.000 1.064 1581 T CB -0.013 68.396 68.868 -0.765 0.000 0.949 1581 T HN 0.192 nan 8.240 nan 0.000 0.526 1582 N N 1.039 119.703 118.700 -0.059 0.000 2.467 1582 N HA 0.071 4.811 4.740 0.001 0.000 0.184 1582 N C -0.289 175.173 175.510 -0.080 0.000 1.106 1582 N CA 0.282 53.325 53.050 -0.012 0.000 0.892 1582 N CB 0.550 39.091 38.487 0.089 0.000 0.969 1582 N HN 0.338 nan 8.380 nan 0.000 0.454 1583 V N 2.289 122.152 119.914 -0.085 0.000 2.398 1583 V HA 0.275 4.395 4.120 0.001 0.000 0.282 1583 V C 0.172 176.265 176.094 -0.002 0.000 1.014 1583 V CA -0.683 61.481 62.300 -0.227 0.000 0.838 1583 V CB 1.844 33.296 31.823 -0.620 0.000 1.018 1583 V HN 0.027 nan 8.190 nan 0.000 0.432 1584 L N 3.605 124.830 121.223 0.004 0.000 2.506 1584 L HA 0.282 4.623 4.340 0.001 0.000 0.281 1584 L C 0.615 177.440 176.870 -0.075 0.000 1.228 1584 L CA 0.675 55.461 54.840 -0.090 0.000 0.850 1584 L CB 0.359 42.347 42.059 -0.118 0.000 1.110 1584 L HN 0.569 nan 8.230 nan 0.000 0.496 1585 E N 5.105 125.236 120.200 -0.116 0.000 2.502 1585 E HA 0.228 4.578 4.350 0.001 0.000 0.261 1585 E C -2.318 174.252 176.600 -0.050 0.000 0.974 1585 E CA -1.721 54.656 56.400 -0.037 0.000 0.795 1585 E CB 1.654 31.357 29.700 0.005 0.000 1.385 1585 E HN 0.223 nan 8.360 nan 0.000 0.400 1586 P HA 0.039 nan 4.420 nan 0.000 0.255 1586 P C -0.369 176.994 177.300 0.106 0.000 1.357 1586 P CA -0.233 62.865 63.100 -0.004 0.000 0.839 1586 P CB -0.543 31.147 31.700 -0.016 0.000 1.356 1587 Y N -1.758 118.500 120.300 -0.071 0.000 3.101 1587 Y HA -0.202 4.349 4.550 0.001 0.000 0.165 1587 Y C -0.922 174.945 175.900 -0.054 0.000 1.901 1587 Y CA -0.487 57.577 58.100 -0.061 0.000 1.173 1587 Y CB -1.907 36.530 38.460 -0.038 0.000 1.568 1587 Y HN 0.337 nan 8.280 nan 0.000 0.405 1588 C N 3.080 122.266 119.300 -0.190 0.000 3.086 1588 C HA 0.555 5.015 4.460 0.001 0.000 0.311 1588 C C -0.018 174.726 174.990 -0.409 0.000 1.260 1588 C CA -0.641 58.229 59.018 -0.246 0.000 1.426 1588 C CB 1.502 29.178 27.740 -0.106 0.000 1.826 1588 C HN 0.660 nan 8.230 nan 0.000 0.474 1589 Q N 1.901 121.237 119.800 -0.774 0.000 2.432 1589 Q HA 0.393 4.734 4.340 0.001 0.000 0.264 1589 Q C -1.056 174.642 176.000 -0.503 0.000 1.035 1589 Q CA 0.577 55.881 55.803 -0.832 0.000 0.908 1589 Q CB 0.849 28.595 28.738 -1.655 0.000 1.280 1589 Q HN 0.718 nan 8.270 nan 0.000 0.455 1590 L N -0.175 120.823 121.223 -0.375 0.000 2.327 1590 L HA 0.742 5.082 4.340 0.001 0.000 0.258 1590 L C -0.699 175.967 176.870 -0.341 0.000 1.024 1590 L CA -0.849 53.771 54.840 -0.366 0.000 0.825 1590 L CB 1.900 43.779 42.059 -0.300 0.000 1.386 1590 L HN 0.557 nan 8.230 nan 0.000 0.417 1591 S N 0.329 115.765 115.700 -0.440 0.000 2.500 1591 S HA 0.902 5.373 4.470 0.001 0.000 0.301 1591 S C -0.904 173.469 174.600 -0.379 0.000 1.092 1591 S CA -0.620 57.403 58.200 -0.295 0.000 1.030 1591 S CB 1.850 64.952 63.200 -0.164 0.000 1.031 1591 S HN 1.231 nan 8.310 nan 0.000 0.483 1592 V N 4.367 124.140 119.914 -0.234 0.000 2.808 1592 V HA 0.798 4.918 4.120 0.001 0.000 0.308 1592 V C -1.343 174.683 176.094 -0.113 0.000 1.099 1592 V CA -0.939 61.231 62.300 -0.217 0.000 0.920 1592 V CB 1.632 33.151 31.823 -0.506 0.000 1.014 1592 V HN 1.147 nan 8.190 nan 0.000 0.425 1593 I N 2.274 122.831 120.570 -0.022 0.000 2.865 1593 I HA 0.658 4.828 4.170 0.001 0.000 0.302 1593 I C -0.507 175.667 176.117 0.095 0.000 1.140 1593 I CA -0.984 60.343 61.300 0.045 0.000 1.021 1593 I CB 2.382 40.431 38.000 0.082 0.000 1.233 1593 I HN 0.552 nan 8.210 nan 0.000 0.427 1594 N N 2.086 120.850 118.700 0.107 0.000 2.508 1594 N HA 0.248 4.988 4.740 0.001 0.000 0.264 1594 N C -1.443 174.178 175.510 0.185 0.000 1.216 1594 N CA 0.063 53.195 53.050 0.137 0.000 0.943 1594 N CB 0.431 38.979 38.487 0.101 0.000 1.113 1594 N HN 0.555 nan 8.380 nan 0.000 0.447 1595 Y N 0.357 120.693 120.300 0.061 0.000 2.409 1595 Y HA 0.269 4.821 4.550 0.003 0.000 0.339 1595 Y C 1.158 177.083 175.900 0.041 0.000 1.033 1595 Y CA -1.006 57.125 58.100 0.052 0.000 1.094 1595 Y CB 1.244 39.744 38.460 0.066 0.000 1.210 1595 Y HN 0.665 nan 8.280 nan 0.000 0.456 1596 S N 2.273 117.582 115.700 -0.652 0.000 2.496 1596 S HA 0.135 4.606 4.470 0.001 0.000 0.224 1596 S C 0.030 174.436 174.600 -0.322 0.000 0.996 1596 S CA 0.194 58.172 58.200 -0.371 0.000 0.927 1596 S CB -0.135 62.879 63.200 -0.310 0.000 0.774 1596 S HN 0.741 nan 8.310 nan 0.000 0.524 1597 Q N 0.807 120.321 119.800 -0.476 0.000 2.306 1597 Q HA 0.457 4.797 4.340 0.001 0.000 0.265 1597 Q C -0.994 175.057 176.000 0.086 0.000 1.022 1597 Q CA -0.810 54.909 55.803 -0.140 0.000 0.853 1597 Q CB 1.684 30.364 28.738 -0.095 0.000 1.327 1597 Q HN 0.196 nan 8.270 nan 0.000 0.449 1598 K N 0.835 121.284 120.400 0.082 0.000 2.355 1598 K HA 0.257 4.577 4.320 0.001 0.000 0.270 1598 K C -0.807 175.886 176.600 0.155 0.000 1.003 1598 K CA -0.060 56.295 56.287 0.114 0.000 0.957 1598 K CB 0.713 33.254 32.500 0.070 0.000 0.939 1598 K HN 0.256 nan 8.250 nan 0.000 0.482 1599 V N 3.470 123.477 119.914 0.155 0.000 2.444 1599 V HA 0.046 4.166 4.120 0.001 0.000 0.294 1599 V C -0.638 175.532 176.094 0.128 0.000 1.022 1599 V CA -0.630 61.757 62.300 0.145 0.000 0.850 1599 V CB 1.457 33.372 31.823 0.154 0.000 0.992 1599 V HN 0.864 nan 8.190 nan 0.000 0.426 1600 D N 4.093 124.561 120.400 0.115 0.000 2.708 1600 D HA -0.192 4.449 4.640 0.001 0.000 0.236 1600 D C 1.328 177.670 176.300 0.069 0.000 1.146 1600 D CA 1.747 55.807 54.000 0.100 0.000 0.662 1600 D CB -1.174 39.705 40.800 0.131 0.000 1.059 1600 D HN 1.461 nan 8.370 nan 0.000 0.428 1601 G N -1.271 107.567 108.800 0.064 0.000 2.155 1601 G HA2 -0.351 3.609 3.960 0.001 0.000 0.257 1601 G HA3 -0.351 3.609 3.960 0.001 0.000 0.257 1601 G C 0.207 175.135 174.900 0.046 0.000 0.983 1601 G CA 0.745 45.874 45.100 0.048 0.000 0.676 1601 G HN 0.395 nan 8.290 nan 0.000 0.528 1602 K N 0.695 121.130 120.400 0.057 0.000 2.318 1602 K HA 0.406 4.726 4.320 0.001 0.000 0.249 1602 K C -0.485 176.153 176.600 0.063 0.000 0.942 1602 K CA -0.922 55.393 56.287 0.047 0.000 0.808 1602 K CB 1.467 33.987 32.500 0.034 0.000 1.189 1602 K HN 0.109 nan 8.250 nan 0.000 0.428 1603 D N 1.140 121.567 120.400 0.045 0.000 2.443 1603 D HA 0.256 4.896 4.640 0.001 0.000 0.239 1603 D C -0.244 176.105 176.300 0.081 0.000 1.136 1603 D CA 0.440 54.473 54.000 0.055 0.000 0.879 1603 D CB 0.983 41.790 40.800 0.012 0.000 1.195 1603 D HN 0.523 nan 8.370 nan 0.000 0.443 1604 A N 1.052 123.959 122.820 0.145 0.000 2.515 1604 A HA 0.676 4.996 4.320 0.001 0.000 0.296 1604 A C -0.562 177.159 177.584 0.229 0.000 1.094 1604 A CA -0.717 51.429 52.037 0.182 0.000 0.718 1604 A CB 1.669 20.796 19.000 0.212 0.000 1.307 1604 A HN 0.373 nan 8.150 nan 0.000 0.408 1605 V N -0.923 119.129 119.914 0.229 0.000 2.960 1605 V HA 0.835 4.956 4.120 0.001 0.000 0.315 1605 V C -0.852 175.382 176.094 0.233 0.000 1.087 1605 V CA -0.942 61.497 62.300 0.232 0.000 0.982 1605 V CB 1.725 33.679 31.823 0.219 0.000 1.039 1605 V HN 0.675 nan 8.190 nan 0.000 0.437 1606 I N 3.023 123.716 120.570 0.204 0.000 2.474 1606 I HA 0.588 4.759 4.170 0.001 0.000 0.294 1606 I C -0.719 175.534 176.117 0.227 0.000 1.005 1606 I CA -0.331 61.085 61.300 0.193 0.000 1.113 1606 I CB 1.412 39.467 38.000 0.091 0.000 1.289 1606 I HN 0.873 nan 8.210 nan 0.000 0.436 1607 F N 4.284 124.284 119.950 0.084 0.000 2.576 1607 F HA 0.652 5.179 4.527 -0.000 0.000 0.313 1607 F C -0.437 175.339 175.800 -0.041 0.000 1.078 1607 F CA -0.320 57.670 58.000 -0.017 0.000 0.921 1607 F CB 1.935 40.892 39.000 -0.073 0.000 1.232 1607 F HN 0.462 nan 8.300 nan 0.000 0.459 1608 S N 5.431 120.715 115.700 -0.693 0.000 2.575 1608 S HA 0.724 5.195 4.470 0.001 0.000 0.278 1608 S C -1.754 172.490 174.600 -0.594 0.000 1.139 1608 S CA -0.473 57.485 58.200 -0.403 0.000 0.954 1608 S CB 1.239 64.362 63.200 -0.129 0.000 1.054 1608 S HN 1.084 nan 8.310 nan 0.000 0.483 1609 N N 2.448 121.000 118.700 -0.246 0.000 3.227 1609 N HA 0.450 5.190 4.740 0.001 0.000 0.241 1609 N C -3.679 171.829 175.510 -0.003 0.000 1.480 1609 N CA -1.298 51.704 53.050 -0.081 0.000 0.886 1609 N CB 0.720 39.108 38.487 -0.164 0.000 1.406 1609 N HN 0.329 nan 8.380 nan 0.000 0.514 1610 P HA 0.213 nan 4.420 nan 0.000 0.280 1610 P C -0.625 176.638 177.300 -0.060 0.000 1.300 1610 P CA -0.083 63.008 63.100 -0.016 0.000 0.785 1610 P CB -0.140 31.582 31.700 0.037 0.000 0.874 1611 N N 3.039 121.674 118.700 -0.109 0.000 3.124 1611 N HA 0.401 5.142 4.740 0.001 0.000 0.284 1611 N C -0.845 174.620 175.510 -0.075 0.000 1.209 1611 N CA -0.089 52.913 53.050 -0.081 0.000 1.149 1611 N CB -0.671 37.760 38.487 -0.093 0.000 1.434 1611 N HN 0.395 nan 8.380 nan 0.000 0.529 1612 A N 1.710 124.488 122.820 -0.069 0.000 2.511 1612 A HA 0.464 4.784 4.320 0.001 0.000 0.293 1612 A C 0.114 177.654 177.584 -0.074 0.000 1.098 1612 A CA -0.725 51.273 52.037 -0.064 0.000 0.643 1612 A CB 0.805 19.772 19.000 -0.054 0.000 1.302 1612 A HN 0.408 nan 8.150 nan 0.000 0.446 1613 R N 0.124 120.584 120.500 -0.066 0.000 2.335 1613 R HA 0.218 4.558 4.340 0.001 0.000 0.223 1613 R C 0.196 176.476 176.300 -0.035 0.000 0.940 1613 R CA 0.950 57.009 56.100 -0.068 0.000 1.086 1613 R CB -0.074 30.184 30.300 -0.069 0.000 1.073 1613 R HN 0.758 nan 8.270 nan 0.000 0.504 1614 S N -0.811 114.872 115.700 -0.028 0.000 2.705 1614 S HA 0.376 4.847 4.470 0.001 0.000 0.280 1614 S C -0.438 174.140 174.600 -0.036 0.000 1.174 1614 S CA -1.151 57.043 58.200 -0.011 0.000 0.823 1614 S CB 1.582 64.786 63.200 0.007 0.000 1.162 1614 S HN 0.048 nan 8.310 nan 0.000 0.487 1615 R N 1.676 122.141 120.500 -0.058 0.000 3.247 1615 R HA 0.430 4.770 4.340 0.001 0.000 0.212 1615 R C -0.079 176.071 176.300 -0.250 0.000 1.604 1615 R CA 0.093 56.086 56.100 -0.179 0.000 1.279 1615 R CB -0.537 29.598 30.300 -0.275 0.000 1.277 1615 R HN 0.782 nan 8.270 nan 0.000 0.669 1616 S N -0.173 115.462 115.700 -0.108 0.000 2.672 1616 S HA 0.266 4.736 4.470 0.001 0.000 0.271 1616 S C -0.301 174.248 174.600 -0.084 0.000 1.171 1616 S CA -1.097 57.064 58.200 -0.066 0.000 0.817 1616 S CB 1.209 64.396 63.200 -0.022 0.000 1.150 1616 S HN 0.468 nan 8.310 nan 0.000 0.478 1617 N N -0.124 118.519 118.700 -0.096 0.000 2.727 1617 N HA -0.100 4.640 4.740 0.001 0.000 0.251 1617 N C 0.065 175.382 175.510 -0.322 0.000 1.040 1617 N CA 0.983 53.939 53.050 -0.156 0.000 0.712 1617 N CB -1.309 37.114 38.487 -0.106 0.000 0.912 1617 N HN 1.274 nan 8.380 nan 0.000 0.545 1618 G N 0.823 109.274 108.800 -0.583 0.000 2.343 1618 G HA2 0.422 4.382 3.960 0.001 0.000 0.254 1618 G HA3 0.422 4.382 3.960 0.001 0.000 0.254 1618 G C -0.276 174.114 174.900 -0.849 0.000 1.277 1618 G CA 0.447 44.686 45.100 -1.435 0.000 0.909 1618 G HN 0.317 nan 8.290 nan 0.000 0.502 1619 T N 1.394 115.579 114.554 -0.615 0.000 2.921 1619 T HA 0.428 4.779 4.350 0.001 0.000 0.297 1619 T C -0.389 174.210 174.700 -0.168 0.000 1.013 1619 T CA -0.363 61.566 62.100 -0.285 0.000 0.990 1619 T CB 1.930 70.693 68.868 -0.176 0.000 1.023 1619 T HN 0.340 nan 8.240 nan 0.000 0.447 1620 V N 4.375 124.234 119.914 -0.091 0.000 2.435 1620 V HA 0.599 4.720 4.120 0.001 0.000 0.290 1620 V C -0.009 176.126 176.094 0.069 0.000 1.030 1620 V CA -0.830 61.472 62.300 0.004 0.000 0.881 1620 V CB 1.603 33.431 31.823 0.008 0.000 0.983 1620 V HN 0.722 nan 8.190 nan 0.000 0.445 1621 R N 4.334 124.938 120.500 0.174 0.000 2.803 1621 R HA 0.726 5.066 4.340 0.001 0.000 0.276 1621 R C -1.332 175.177 176.300 0.348 0.000 0.978 1621 R CA -0.825 55.428 56.100 0.256 0.000 0.939 1621 R CB 2.533 32.981 30.300 0.245 0.000 1.179 1621 R HN 0.547 nan 8.270 nan 0.000 0.472 1622 I N 0.980 121.770 120.570 0.367 0.000 2.362 1622 I HA 0.360 4.531 4.170 0.001 0.000 0.289 1622 I C 0.307 176.630 176.117 0.343 0.000 0.994 1622 I CA -0.527 60.963 61.300 0.318 0.000 1.158 1622 I CB 2.067 40.221 38.000 0.255 0.000 1.315 1622 I HN 0.696 nan 8.210 nan 0.000 0.451 1623 G N 7.336 116.259 108.800 0.205 0.000 2.417 1623 G HA2 0.661 4.621 3.960 0.001 0.000 0.320 1623 G HA3 0.661 4.621 3.960 0.001 0.000 0.320 1623 G C -0.711 174.138 174.900 -0.085 0.000 1.204 1623 G CA -0.503 44.407 45.100 -0.318 0.000 0.923 1623 G HN 0.417 nan 8.290 nan 0.000 0.466 1624 L N 2.569 123.723 121.223 -0.114 0.000 2.307 1624 L HA 0.450 4.790 4.340 0.001 0.000 0.282 1624 L C 0.088 176.897 176.870 -0.102 0.000 1.051 1624 L CA -0.741 54.076 54.840 -0.038 0.000 0.804 1624 L CB 1.787 43.828 42.059 -0.030 0.000 1.197 1624 L HN 0.323 nan 8.230 nan 0.000 0.431 1625 I N 3.673 124.188 120.570 -0.092 0.000 2.371 1625 I HA 0.188 4.358 4.170 0.001 0.000 0.290 1625 I C -0.116 175.943 176.117 -0.097 0.000 1.028 1625 I CA -0.052 61.121 61.300 -0.213 0.000 1.345 1625 I CB 0.532 38.396 38.000 -0.226 0.000 1.407 1625 I HN 0.594 nan 8.210 nan 0.000 0.501 1626 N N 6.266 124.913 118.700 -0.089 0.000 2.296 1626 N HA 0.196 4.936 4.740 0.001 0.000 0.294 1626 N C -1.056 174.486 175.510 0.053 0.000 1.033 1626 N CA -0.638 52.406 53.050 -0.010 0.000 0.839 1626 N CB 2.479 40.934 38.487 -0.054 0.000 1.395 1626 N HN 0.581 nan 8.380 nan 0.000 0.479 1627 Q N 1.552 121.387 119.800 0.059 0.000 2.295 1627 Q HA 0.275 4.616 4.340 0.001 0.000 0.259 1627 Q C -0.473 175.445 176.000 -0.138 0.000 0.976 1627 Q CA -0.456 55.269 55.803 -0.130 0.000 0.923 1627 Q CB 0.650 29.248 28.738 -0.233 0.000 1.185 1627 Q HN 0.488 nan 8.270 nan 0.000 0.410 1628 V N 2.458 122.266 119.914 -0.176 0.000 2.225 1628 V HA 0.742 4.862 4.120 0.001 0.000 0.264 1628 V C 0.370 176.359 176.094 -0.174 0.000 1.067 1628 V CA 0.285 62.499 62.300 -0.144 0.000 0.903 1628 V CB -0.153 31.599 31.823 -0.118 0.000 1.136 1628 V HN 1.034 nan 8.190 nan 0.000 0.456 1629 G N 3.679 112.383 108.800 -0.160 0.000 2.553 1629 G HA2 0.039 4.000 3.960 0.001 0.000 0.242 1629 G HA3 0.039 4.000 3.960 0.001 0.000 0.242 1629 G C 0.015 174.802 174.900 -0.189 0.000 1.277 1629 G CA 0.298 45.306 45.100 -0.154 0.000 0.910 1629 G HN 2.233 nan 8.290 nan 0.000 0.576 1630 T N -2.919 111.536 114.554 -0.164 0.000 2.903 1630 T HA 0.662 5.012 4.350 0.001 0.000 0.299 1630 T C -0.149 174.469 174.700 -0.136 0.000 1.093 1630 T CA -0.623 61.400 62.100 -0.127 0.000 1.002 1630 T CB 1.846 70.673 68.868 -0.068 0.000 1.127 1630 T HN 0.869 nan 8.240 nan 0.000 0.488 1631 Y N 0.855 121.110 120.300 -0.074 0.000 2.335 1631 Y HA 0.191 4.741 4.550 0.001 0.000 0.348 1631 Y C 2.222 178.079 175.900 -0.071 0.000 1.280 1631 Y CA -0.069 58.002 58.100 -0.047 0.000 1.504 1631 Y CB 0.440 38.868 38.460 -0.053 0.000 1.366 1631 Y HN 0.930 nan 8.280 nan 0.000 0.621 1632 E N 0.898 121.181 120.200 0.137 0.000 2.204 1632 E HA -0.241 4.109 4.350 0.001 0.000 0.195 1632 E C 1.164 177.770 176.600 0.009 0.000 0.990 1632 E CA 1.246 57.675 56.400 0.049 0.000 0.821 1632 E CB -0.124 29.607 29.700 0.050 0.000 0.750 1632 E HN 0.771 nan 8.360 nan 0.000 0.477 1633 N N -0.319 118.371 118.700 -0.016 0.000 2.515 1633 N HA -0.013 4.727 4.740 0.001 0.000 0.191 1633 N C 1.156 176.592 175.510 -0.124 0.000 1.182 1633 N CA 1.102 54.093 53.050 -0.099 0.000 0.879 1633 N CB 0.184 38.556 38.487 -0.192 0.000 0.984 1633 N HN 0.241 nan 8.380 nan 0.000 0.453 1634 G N -0.905 107.849 108.800 -0.076 0.000 2.205 1634 G HA2 -0.288 3.672 3.960 0.001 0.000 0.261 1634 G HA3 -0.288 3.672 3.960 0.001 0.000 0.261 1634 G C -0.229 174.617 174.900 -0.090 0.000 0.980 1634 G CA 0.203 45.259 45.100 -0.073 0.000 0.632 1634 G HN 0.434 nan 8.290 nan 0.000 0.533 1635 E N 1.844 121.947 120.200 -0.161 0.000 2.398 1635 E HA 0.267 4.618 4.350 0.001 0.000 0.263 1635 E C -2.090 174.537 176.600 0.044 0.000 1.046 1635 E CA -1.361 54.949 56.400 -0.150 0.000 0.908 1635 E CB 0.634 29.992 29.700 -0.570 0.000 0.963 1635 E HN 0.275 nan 8.360 nan 0.000 0.431 1636 P HA 0.041 nan 4.420 nan 0.000 0.268 1636 P C -0.488 176.737 177.300 -0.126 0.000 1.205 1636 P CA 0.180 63.176 63.100 -0.174 0.000 0.771 1636 P CB 0.520 32.004 31.700 -0.359 0.000 0.858 1637 K N 3.304 123.520 120.400 -0.307 0.000 2.307 1637 K HA 0.346 4.666 4.320 0.001 0.000 0.263 1637 K C -1.201 175.200 176.600 -0.333 0.000 0.973 1637 K CA -0.590 55.540 56.287 -0.262 0.000 0.846 1637 K CB 0.498 32.667 32.500 -0.551 0.000 1.100 1637 K HN 0.364 nan 8.250 nan 0.000 0.438 1638 Y N 1.915 122.218 120.300 0.004 0.000 2.446 1638 Y HA 0.360 4.910 4.550 0.001 0.000 0.338 1638 Y C 0.197 175.975 175.900 -0.203 0.000 1.055 1638 Y CA -0.801 57.225 58.100 -0.124 0.000 1.101 1638 Y CB 1.847 40.217 38.460 -0.150 0.000 1.221 1638 Y HN 0.477 nan 8.280 nan 0.000 0.460 1639 E N 1.702 121.827 120.200 -0.125 0.000 2.392 1639 E HA 0.406 4.756 4.350 0.001 0.000 0.269 1639 E C -1.664 174.677 176.600 -0.432 0.000 0.924 1639 E CA -0.941 55.341 56.400 -0.196 0.000 0.784 1639 E CB 2.385 32.041 29.700 -0.075 0.000 1.292 1639 E HN 0.401 nan 8.360 nan 0.000 0.447 1640 F N 0.683 120.535 119.950 -0.164 0.000 2.422 1640 F HA 0.239 4.766 4.527 -0.001 0.000 0.333 1640 F C 0.612 176.083 175.800 -0.548 0.000 1.095 1640 F CA -0.742 56.986 58.000 -0.454 0.000 1.038 1640 F CB 1.143 39.675 39.000 -0.780 0.000 1.156 1640 F HN 0.130 nan 8.300 nan 0.000 0.483 1641 D N 2.737 122.913 120.400 -0.372 0.000 2.441 1641 D HA 0.167 4.807 4.640 0.001 0.000 0.231 1641 D C -1.275 174.815 176.300 -0.350 0.000 1.073 1641 D CA -0.603 53.231 54.000 -0.277 0.000 0.850 1641 D CB 0.359 41.063 40.800 -0.159 0.000 1.062 1641 D HN 0.369 nan 8.370 nan 0.000 0.524 1642 W N 4.811 126.125 121.300 0.024 0.000 1.836 1642 W HA 0.240 4.900 4.660 0.000 0.000 0.449 1642 W C 1.750 178.228 176.519 -0.069 0.000 0.787 1642 W CA -0.652 56.688 57.345 -0.008 0.000 1.729 1642 W CB 0.554 29.986 29.460 -0.047 0.000 1.802 1642 W HN 0.422 nan 8.180 nan 0.000 0.257 1643 K N 1.034 121.426 120.400 -0.013 0.000 2.167 1643 K HA -0.052 4.268 4.320 0.001 0.000 0.203 1643 K C -0.340 176.006 176.600 -0.422 0.000 1.052 1643 K CA 0.929 57.041 56.287 -0.290 0.000 0.956 1643 K CB 0.130 32.313 32.500 -0.528 0.000 0.735 1643 K HN 0.259 nan 8.250 nan 0.000 0.451 1644 Y N 0.526 120.883 120.300 0.094 0.000 2.376 1644 Y HA 0.372 4.922 4.550 0.000 0.000 0.340 1644 Y C -0.734 175.205 175.900 0.065 0.000 0.965 1644 Y CA -1.290 56.838 58.100 0.047 0.000 1.078 1644 Y CB 1.775 40.243 38.460 0.013 0.000 1.193 1644 Y HN -0.083 nan 8.280 nan 0.000 0.452 1645 N N 3.151 121.944 118.700 0.155 0.000 2.500 1645 N HA 0.235 4.976 4.740 0.001 0.000 0.291 1645 N C -1.626 173.885 175.510 0.002 0.000 1.092 1645 N CA -0.801 52.292 53.050 0.073 0.000 0.890 1645 N CB 2.474 40.986 38.487 0.042 0.000 1.466 1645 N HN 0.432 nan 8.380 nan 0.000 0.507 1646 K N 1.904 122.279 120.400 -0.042 0.000 2.463 1646 K HA 0.371 4.691 4.320 0.001 0.000 0.255 1646 K C -1.059 175.473 176.600 -0.113 0.000 0.942 1646 K CA -0.716 55.499 56.287 -0.121 0.000 0.814 1646 K CB 1.104 33.467 32.500 -0.229 0.000 1.122 1646 K HN 0.431 nan 8.250 nan 0.000 0.425 1647 L N 6.118 127.277 121.223 -0.107 0.000 2.477 1647 L HA 0.169 4.509 4.340 0.001 0.000 0.272 1647 L C 0.387 177.213 176.870 -0.074 0.000 1.157 1647 L CA 0.538 55.309 54.840 -0.115 0.000 0.889 1647 L CB 0.879 42.886 42.059 -0.087 0.000 1.158 1647 L HN 0.644 nan 8.230 nan 0.000 0.473 1648 V N 1.244 121.073 119.914 -0.142 0.000 3.570 1648 V HA 0.448 4.569 4.120 0.001 0.000 0.257 1648 V C 0.449 176.451 176.094 -0.154 0.000 1.272 1648 V CA 0.242 62.492 62.300 -0.083 0.000 1.079 1648 V CB -0.231 31.530 31.823 -0.103 0.000 0.829 1648 V HN 0.765 nan 8.190 nan 0.000 0.454 1649 K N 2.197 122.450 120.400 -0.245 0.000 2.723 1649 K HA 0.603 4.923 4.320 0.001 0.000 0.229 1649 K C -3.301 173.248 176.600 -0.085 0.000 1.022 1649 K CA -2.254 53.943 56.287 -0.150 0.000 1.045 1649 K CB 1.542 33.939 32.500 -0.173 0.000 1.227 1649 K HN 0.186 nan 8.250 nan 0.000 0.516 1650 P HA 0.308 nan 4.420 nan 0.000 0.271 1650 P C 0.317 177.651 177.300 0.056 0.000 1.218 1650 P CA 0.580 63.682 63.100 0.004 0.000 0.780 1650 P CB 1.025 32.735 31.700 0.018 0.000 0.901 1651 G N 1.448 110.283 108.800 0.057 0.000 2.512 1651 G HA2 -0.262 3.698 3.960 0.001 0.000 0.240 1651 G HA3 -0.262 3.698 3.960 0.001 0.000 0.240 1651 G C -0.857 174.136 174.900 0.156 0.000 1.246 1651 G CA -0.427 44.740 45.100 0.111 0.000 0.919 1651 G HN 0.540 nan 8.290 nan 0.000 0.577 1652 Y N 0.776 121.142 120.300 0.110 0.000 2.511 1652 Y HA 0.529 5.080 4.550 0.000 0.000 0.332 1652 Y C -0.007 176.034 175.900 0.234 0.000 1.177 1652 Y CA 0.756 58.936 58.100 0.133 0.000 1.422 1652 Y CB 0.414 38.934 38.460 0.100 0.000 1.271 1652 Y HN 0.814 nan 8.280 nan 0.000 0.550 1653 Y N 5.170 125.114 120.300 -0.593 0.000 2.348 1653 Y HA 0.564 5.114 4.550 0.000 0.000 0.321 1653 Y C -0.813 174.807 175.900 -0.466 0.000 1.163 1653 Y CA -0.271 57.640 58.100 -0.315 0.000 1.070 1653 Y CB 0.762 39.108 38.460 -0.189 0.000 1.250 1653 Y HN 0.759 nan 8.280 nan 0.000 0.425 1654 A N 4.218 126.784 122.820 -0.424 0.000 2.834 1654 A HA 0.471 4.792 4.320 0.001 0.000 0.205 1654 A C -0.979 176.568 177.584 -0.061 0.000 1.761 1654 A CA -0.406 51.529 52.037 -0.170 0.000 1.709 1654 A CB -0.231 18.771 19.000 0.004 0.000 1.488 1654 A HN 0.693 nan 8.150 nan 0.000 0.457 1655 Y N 1.115 121.303 120.300 -0.186 0.000 2.357 1655 Y HA 0.390 4.941 4.550 0.000 0.000 0.340 1655 Y C 0.964 176.743 175.900 -0.202 0.000 1.260 1655 Y CA 0.620 58.623 58.100 -0.163 0.000 1.425 1655 Y CB 0.748 39.152 38.460 -0.094 0.000 1.326 1655 Y HN 0.696 nan 8.280 nan 0.000 0.580 1656 S N 0.553 116.238 115.700 -0.025 0.000 2.588 1656 S HA 0.641 5.111 4.470 0.001 0.000 0.269 1656 S C -1.644 172.967 174.600 0.018 0.000 1.157 1656 S CA -0.959 57.232 58.200 -0.015 0.000 0.824 1656 S CB 1.777 64.950 63.200 -0.046 0.000 1.126 1656 S HN 0.794 nan 8.310 nan 0.000 0.464 1657 C N 1.760 121.106 119.300 0.076 0.000 2.701 1657 C HA 0.678 5.139 4.460 0.001 0.000 0.336 1657 C C -1.085 173.978 174.990 0.121 0.000 1.123 1657 C CA -0.523 58.545 59.018 0.085 0.000 1.326 1657 C CB 0.017 27.827 27.740 0.116 0.000 1.833 1657 C HN 0.951 nan 8.230 nan 0.000 0.473 1658 L N 3.602 124.880 121.223 0.092 0.000 2.360 1658 L HA 0.787 5.127 4.340 0.001 0.000 0.271 1658 L C 0.513 177.462 176.870 0.130 0.000 1.057 1658 L CA 0.130 55.035 54.840 0.109 0.000 0.803 1658 L CB 1.888 43.987 42.059 0.067 0.000 1.207 1658 L HN 0.711 nan 8.230 nan 0.000 0.445 1659 T N 0.453 115.091 114.554 0.140 0.000 2.894 1659 T HA 0.221 4.571 4.350 0.001 0.000 0.309 1659 T C -1.128 173.639 174.700 0.112 0.000 1.208 1659 T CA -0.598 61.563 62.100 0.100 0.000 1.016 1659 T CB 1.657 70.577 68.868 0.087 0.000 1.192 1659 T HN 0.657 nan 8.240 nan 0.000 0.491 1660 E N 3.013 123.264 120.200 0.085 0.000 2.331 1660 E HA 0.519 4.869 4.350 0.001 0.000 0.272 1660 E C -0.605 176.035 176.600 0.066 0.000 1.036 1660 E CA -0.482 55.994 56.400 0.126 0.000 0.864 1660 E CB 0.652 30.418 29.700 0.109 0.000 1.035 1660 E HN 0.479 nan 8.360 nan 0.000 0.408 1661 L N 2.392 123.671 121.223 0.094 0.000 2.365 1661 L HA 0.228 4.568 4.340 0.001 0.000 0.267 1661 L C 1.431 178.320 176.870 0.032 0.000 1.033 1661 L CA -0.607 54.271 54.840 0.063 0.000 0.802 1661 L CB 1.554 43.669 42.059 0.093 0.000 1.267 1661 L HN 0.621 nan 8.230 nan 0.000 0.457 1662 S N 0.474 116.180 115.700 0.011 0.000 2.419 1662 S HA -0.142 4.328 4.470 0.001 0.000 0.235 1662 S C 1.270 175.875 174.600 0.007 0.000 1.019 1662 S CA 1.562 59.760 58.200 -0.003 0.000 0.982 1662 S CB -0.437 62.756 63.200 -0.012 0.000 0.789 1662 S HN 0.809 nan 8.310 nan 0.000 0.490 1663 N N 0.830 119.545 118.700 0.024 0.000 2.449 1663 N HA 0.173 4.913 4.740 0.001 0.000 0.191 1663 N C 1.010 176.552 175.510 0.053 0.000 1.161 1663 N CA 0.806 53.875 53.050 0.031 0.000 0.863 1663 N CB -0.490 38.016 38.487 0.032 0.000 0.980 1663 N HN 0.361 nan 8.380 nan 0.000 0.458 1664 G N -0.856 107.985 108.800 0.067 0.000 2.179 1664 G HA2 -0.319 3.641 3.960 0.001 0.000 0.260 1664 G HA3 -0.319 3.641 3.960 0.001 0.000 0.260 1664 G C 0.014 175.055 174.900 0.235 0.000 0.977 1664 G CA 0.170 45.349 45.100 0.132 0.000 0.641 1664 G HN 0.492 nan 8.290 nan 0.000 0.533 1665 N N 0.058 118.849 118.700 0.151 0.000 2.322 1665 N HA 0.608 5.348 4.740 0.001 0.000 0.270 1665 N C 0.318 175.917 175.510 0.149 0.000 1.286 1665 N CA -0.157 52.971 53.050 0.130 0.000 0.948 1665 N CB 0.370 38.907 38.487 0.082 0.000 1.164 1665 N HN 0.124 nan 8.380 nan 0.000 0.551 1666 I N 0.118 120.749 120.570 0.102 0.000 2.436 1666 I HA 0.360 4.530 4.170 0.001 0.000 0.289 1666 I C 0.761 176.928 176.117 0.084 0.000 1.010 1666 I CA -0.633 60.729 61.300 0.103 0.000 1.098 1666 I CB 0.658 38.694 38.000 0.061 0.000 1.266 1666 I HN 0.361 nan 8.210 nan 0.000 0.434 1667 G N 5.687 114.569 108.800 0.137 0.000 2.412 1667 G HA2 0.624 4.584 3.960 0.001 0.000 0.318 1667 G HA3 0.624 4.584 3.960 0.001 0.000 0.318 1667 G C -1.391 173.594 174.900 0.143 0.000 1.146 1667 G CA -0.328 44.864 45.100 0.154 0.000 0.882 1667 G HN 0.454 nan 8.290 nan 0.000 0.501 1668 L N 1.487 122.735 121.223 0.042 0.000 2.505 1668 L HA 0.643 4.983 4.340 0.001 0.000 0.266 1668 L C -1.589 175.410 176.870 0.215 0.000 0.954 1668 L CA -0.872 54.058 54.840 0.151 0.000 0.852 1668 L CB 2.128 44.272 42.059 0.142 0.000 1.282 1668 L HN 0.462 nan 8.230 nan 0.000 0.403 1669 L N 6.397 127.781 121.223 0.269 0.000 2.305 1669 L HA 0.705 5.046 4.340 0.001 0.000 0.284 1669 L C -1.344 175.625 176.870 0.165 0.000 1.013 1669 L CA -0.178 54.780 54.840 0.197 0.000 0.819 1669 L CB 1.089 43.261 42.059 0.188 0.000 1.227 1669 L HN 0.637 nan 8.230 nan 0.000 0.417 1670 Y N 0.976 121.272 120.300 -0.006 0.000 2.553 1670 Y HA 0.602 5.152 4.550 0.000 0.000 0.347 1670 Y C -0.667 175.162 175.900 -0.119 0.000 1.019 1670 Y CA -1.163 56.853 58.100 -0.140 0.000 1.032 1670 Y CB 1.056 39.361 38.460 -0.260 0.000 1.284 1670 Y HN 0.582 nan 8.280 nan 0.000 0.466 1671 E N 1.831 122.023 120.200 -0.013 0.000 1.858 1671 E HA 0.186 4.536 4.350 0.001 0.000 0.267 1671 E C 0.425 177.160 176.600 0.226 0.000 1.215 1671 E CA 0.112 56.547 56.400 0.059 0.000 0.952 1671 E CB 0.602 30.362 29.700 0.101 0.000 1.058 1671 E HN 1.012 nan 8.360 nan 0.000 0.407 1672 G N 2.766 111.717 108.800 0.251 0.000 3.042 1672 G HA2 -0.066 3.894 3.960 0.001 0.000 0.212 1672 G HA3 -0.066 3.894 3.960 0.001 0.000 0.212 1672 G C 0.620 175.736 174.900 0.360 0.000 1.166 1672 G CA 0.207 45.576 45.100 0.448 0.000 0.767 1672 G HN 0.470 nan 8.290 nan 0.000 0.546 1673 T N -4.025 110.644 114.554 0.192 0.000 2.901 1673 T HA 0.565 4.916 4.350 0.001 0.000 0.293 1673 T C -2.323 172.233 174.700 -0.239 0.000 1.084 1673 T CA -1.653 60.398 62.100 -0.081 0.000 1.008 1673 T CB 2.765 71.591 68.868 -0.069 0.000 1.170 1673 T HN -0.224 nan 8.240 nan 0.000 0.509 1674 P HA 0.006 nan 4.420 nan 0.000 0.216 1674 P C 0.880 178.101 177.300 -0.132 0.000 1.153 1674 P CA 1.209 64.050 63.100 -0.431 0.000 0.848 1674 P CB 0.104 31.533 31.700 -0.452 0.000 0.787 1675 S N -4.185 111.450 115.700 -0.109 0.000 3.029 1675 S HA 0.281 4.751 4.470 0.001 0.000 0.244 1675 S C 0.429 175.031 174.600 0.003 0.000 0.814 1675 S CA -0.594 57.577 58.200 -0.049 0.000 1.148 1675 S CB -0.378 62.782 63.200 -0.067 0.000 1.253 1675 S HN -0.035 nan 8.310 nan 0.000 0.555 1676 E N 1.426 121.637 120.200 0.019 0.000 3.130 1676 E HA 0.284 4.634 4.350 0.001 0.000 0.264 1676 E C -0.872 175.794 176.600 0.110 0.000 1.006 1676 E CA -0.403 56.041 56.400 0.072 0.000 0.973 1676 E CB 0.075 29.795 29.700 0.034 0.000 3.001 1676 E HN 0.291 nan 8.360 nan 0.000 0.586 1677 E N 1.452 121.686 120.200 0.057 0.000 2.290 1677 E HA 0.145 4.495 4.350 0.001 0.000 0.277 1677 E C -0.618 175.961 176.600 -0.035 0.000 1.035 1677 E CA 0.401 56.815 56.400 0.024 0.000 0.873 1677 E CB 0.509 30.203 29.700 -0.009 0.000 1.029 1677 E HN 0.111 nan 8.360 nan 0.000 0.419 1678 M N 1.900 121.455 119.600 -0.075 0.000 2.167 1678 M HA 0.332 4.812 4.480 0.001 0.000 0.333 1678 M C -0.571 175.571 176.300 -0.264 0.000 1.030 1678 M CA -0.448 54.775 55.300 -0.130 0.000 0.963 1678 M CB 1.460 34.055 32.600 -0.009 0.000 1.589 1678 M HN 0.264 nan 8.290 nan 0.000 0.431 1679 S N 2.677 118.079 115.700 -0.496 0.000 2.489 1679 S HA 0.570 5.040 4.470 0.001 0.000 0.291 1679 S C -1.139 173.176 174.600 -0.475 0.000 1.151 1679 S CA -0.493 57.355 58.200 -0.587 0.000 1.082 1679 S CB 1.232 63.830 63.200 -1.004 0.000 1.019 1679 S HN 0.530 nan 8.310 nan 0.000 0.492 1680 Y N 4.630 124.739 120.300 -0.319 0.000 2.352 1680 Y HA 0.708 5.258 4.550 0.000 0.000 0.339 1680 Y C -0.585 175.324 175.900 0.015 0.000 0.992 1680 Y CA -1.073 56.947 58.100 -0.134 0.000 1.100 1680 Y CB 0.512 38.855 38.460 -0.195 0.000 1.192 1680 Y HN 0.669 nan 8.280 nan 0.000 0.458 1681 I N 2.402 122.570 120.570 -0.671 0.000 2.934 1681 I HA 0.663 4.833 4.170 0.001 0.000 0.306 1681 I C -1.461 174.252 176.117 -0.674 0.000 1.110 1681 I CA -1.117 59.891 61.300 -0.487 0.000 1.019 1681 I CB 2.471 40.410 38.000 -0.102 0.000 1.227 1681 I HN 0.675 nan 8.210 nan 0.000 0.434 1682 E N 4.888 124.878 120.200 -0.350 0.000 2.199 1682 E HA 0.675 5.025 4.350 0.001 0.000 0.269 1682 E C -1.640 174.891 176.600 -0.115 0.000 0.899 1682 E CA -0.884 55.417 56.400 -0.164 0.000 0.772 1682 E CB 1.941 31.628 29.700 -0.022 0.000 1.155 1682 E HN 0.722 nan 8.360 nan 0.000 0.408 1683 M N 3.331 122.897 119.600 -0.056 0.000 2.530 1683 M HA 0.360 4.841 4.480 0.001 0.000 0.307 1683 M C -0.712 175.606 176.300 0.031 0.000 1.161 1683 M CA -1.122 54.159 55.300 -0.031 0.000 0.903 1683 M CB 1.946 34.584 32.600 0.063 0.000 1.711 1683 M HN 0.541 nan 8.290 nan 0.000 0.451 1684 N N 1.432 120.165 118.700 0.055 0.000 2.485 1684 N HA 0.392 5.132 4.740 0.001 0.000 0.280 1684 N C -0.012 175.525 175.510 0.045 0.000 1.205 1684 N CA -0.765 52.317 53.050 0.054 0.000 0.959 1684 N CB 0.651 39.165 38.487 0.045 0.000 1.206 1684 N HN 0.533 nan 8.380 nan 0.000 0.545 1685 L N 0.073 121.286 121.223 -0.017 0.000 2.131 1685 L HA -0.008 4.333 4.340 0.001 0.000 0.210 1685 L C 2.321 179.126 176.870 -0.108 0.000 1.092 1685 L CA 1.548 56.327 54.840 -0.102 0.000 0.759 1685 L CB -1.030 40.949 42.059 -0.133 0.000 0.903 1685 L HN 0.813 nan 8.230 nan 0.000 0.435 1686 K N -1.371 119.005 120.400 -0.040 0.000 2.063 1686 K HA -0.278 4.042 4.320 0.001 0.000 0.208 1686 K C 2.337 178.928 176.600 -0.014 0.000 1.048 1686 K CA 1.719 57.985 56.287 -0.035 0.000 0.928 1686 K CB -0.333 32.172 32.500 0.008 0.000 0.713 1686 K HN 0.264 nan 8.250 nan 0.000 0.442 1687 Y N 1.374 121.631 120.300 -0.071 0.000 2.114 1687 Y HA -0.166 4.384 4.550 0.000 0.000 0.284 1687 Y C 1.726 177.583 175.900 -0.073 0.000 1.143 1687 Y CA 1.575 59.640 58.100 -0.059 0.000 1.135 1687 Y CB -0.285 38.148 38.460 -0.045 0.000 0.980 1687 Y HN 0.004 nan 8.280 nan 0.000 0.499 1688 L N 0.072 121.182 121.223 -0.188 0.000 2.191 1688 L HA -0.196 4.144 4.340 0.001 0.000 0.212 1688 L C 1.830 178.532 176.870 -0.280 0.000 1.103 1688 L CA 1.663 56.347 54.840 -0.259 0.000 0.769 1688 L CB -0.426 41.562 42.059 -0.119 0.000 0.908 1688 L HN 0.326 nan 8.230 nan 0.000 0.438 1689 E N -0.909 119.084 120.200 -0.345 0.000 2.474 1689 E HA -0.055 4.295 4.350 0.001 0.000 0.194 1689 E C 2.059 178.557 176.600 -0.170 0.000 1.041 1689 E CA 0.673 56.803 56.400 -0.449 0.000 0.874 1689 E CB 0.268 29.523 29.700 -0.741 0.000 0.914 1689 E HN 0.461 nan 8.360 nan 0.000 0.498 1690 S N -0.308 115.281 115.700 -0.185 0.000 2.446 1690 S HA 0.142 4.612 4.470 0.001 0.000 0.225 1690 S C 0.977 175.529 174.600 -0.079 0.000 1.016 1690 S CA 0.368 58.501 58.200 -0.112 0.000 0.943 1690 S CB 0.553 63.684 63.200 -0.115 0.000 0.786 1690 S HN 0.200 nan 8.310 nan 0.000 0.508 1691 G N 0.000 108.735 108.800 -0.109 0.000 5.446 1691 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 1691 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 1691 G CA 0.000 nan 45.100 nan 0.000 0.502 1691 G HN 0.000 nan 8.290 nan 0.000 0.925