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 1ki1_1_D DATA FIRST_RESID 1229 DATA SEQUENCE DMLTPTERKR QGYIHELIVT EENYVNDLQL VTEIFQKPLM ESELLTEKEV DATA SEQUENCE AMIFVNWKEL IMCNIKLLKA LRVRKKMSGE KMPVKMIGDI LSAQLPHMQP DATA SEQUENCE YIRFCSRQLN GAALIQQKTD EAPDFKEFVK RLEMDPRCKG MPLSSFILKP DATA SEQUENCE MQRVTRYPLI IKNILENTPE NHPDHSHLKH ALEKAEELCS QVNEGVREKE DATA SEQUENCE NSDRLEWIQA HVQCEGLSEQ LVFNSVTNCL GPRKFLHSGK LYKAKNNKEL DATA SEQUENCE YGFLFNDFLL LTQITKPXXX XXXXKVFSPK SNLQYMYKTP IFLNEVLVKL DATA SEQUENCE PTDPSGDXXX FHISHIDRVY TLRAESINER TAWVQKIKAA SELYIETEKK DATA SEQUENCE KR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1229 D HA 0.000 nan 4.640 nan 0.000 0.175 1229 D C 0.000 176.302 176.300 0.004 0.000 2.045 1229 D CA 0.000 54.000 54.000 -0.000 0.000 0.868 1229 D CB 0.000 40.796 40.800 -0.007 0.000 0.688 1230 M N 1.476 121.077 119.600 0.002 0.000 2.253 1230 M HA -0.213 4.267 4.480 -0.000 0.000 0.195 1230 M C -1.301 175.003 176.300 0.007 0.000 0.512 1230 M CA 0.540 55.843 55.300 0.004 0.000 0.442 1230 M CB -1.078 31.526 32.600 0.006 0.000 1.189 1230 M HN 0.120 nan 8.290 nan 0.000 0.923 1231 L N 0.460 121.686 121.223 0.005 0.000 2.295 1231 L HA 0.497 4.837 4.340 -0.000 0.000 0.285 1231 L C 1.152 178.026 176.870 0.007 0.000 1.035 1231 L CA -0.672 54.173 54.840 0.008 0.000 0.806 1231 L CB 1.786 43.848 42.059 0.005 0.000 1.214 1231 L HN 0.378 nan 8.230 nan 0.000 0.426 1232 T N -0.692 113.869 114.554 0.012 0.000 2.828 1232 T HA 0.226 4.576 4.350 -0.000 0.000 0.290 1232 T C -1.864 172.842 174.700 0.010 0.000 1.019 1232 T CA -1.593 60.514 62.100 0.011 0.000 1.031 1232 T CB 1.146 70.023 68.868 0.015 0.000 1.001 1232 T HN 0.325 nan 8.240 nan 0.000 0.531 1233 P HA -0.136 nan 4.420 nan 0.000 0.216 1233 P C 1.667 178.977 177.300 0.017 0.000 1.154 1233 P CA 1.409 64.514 63.100 0.008 0.000 0.865 1233 P CB -0.269 31.437 31.700 0.010 0.000 0.789 1234 T N -0.590 113.978 114.554 0.024 0.000 2.737 1234 T HA -0.147 4.203 4.350 -0.000 0.000 0.265 1234 T C 1.618 176.339 174.700 0.035 0.000 1.038 1234 T CA 1.445 63.566 62.100 0.034 0.000 1.144 1234 T CB -0.727 68.159 68.868 0.030 0.000 0.866 1234 T HN 0.330 nan 8.240 nan 0.000 0.434 1235 E N 0.632 120.849 120.200 0.028 0.000 2.110 1235 E HA -0.138 4.211 4.350 -0.000 0.000 0.193 1235 E C 2.331 178.944 176.600 0.022 0.000 0.988 1235 E CA 0.817 57.235 56.400 0.029 0.000 0.804 1235 E CB -0.107 29.614 29.700 0.034 0.000 0.745 1235 E HN 0.359 nan 8.360 nan 0.000 0.458 1236 R N 1.504 122.010 120.500 0.011 0.000 2.090 1236 R HA -0.091 4.248 4.340 -0.000 0.000 0.228 1236 R C 1.951 178.239 176.300 -0.021 0.000 1.110 1236 R CA 1.265 57.359 56.100 -0.009 0.000 0.973 1236 R CB 0.094 30.382 30.300 -0.020 0.000 0.869 1236 R HN -0.046 nan 8.270 nan 0.000 0.440 1237 K N 0.172 120.573 120.400 0.001 0.000 2.097 1237 K HA -0.169 4.151 4.320 -0.000 0.000 0.206 1237 K C 2.255 178.916 176.600 0.102 0.000 1.049 1237 K CA 1.430 57.720 56.287 0.006 0.000 0.933 1237 K CB -0.113 32.454 32.500 0.112 0.000 0.717 1237 K HN 0.169 nan 8.250 nan 0.000 0.442 1238 R N 0.841 121.405 120.500 0.108 0.000 2.082 1238 R HA -0.177 4.163 4.340 -0.000 0.000 0.234 1238 R C 2.202 178.562 176.300 0.099 0.000 1.136 1238 R CA 1.583 57.752 56.100 0.117 0.000 0.935 1238 R CB -0.005 30.311 30.300 0.028 0.000 0.842 1238 R HN 0.110 nan 8.270 nan 0.000 0.430 1239 Q N -0.393 119.436 119.800 0.049 0.000 2.096 1239 Q HA -0.100 4.240 4.340 -0.000 0.000 0.204 1239 Q C 2.075 178.099 176.000 0.040 0.000 0.982 1239 Q CA 1.780 57.609 55.803 0.042 0.000 0.850 1239 Q CB -0.685 28.062 28.738 0.015 0.000 0.901 1239 Q HN 0.595 nan 8.270 nan 0.000 0.422 1240 G N -0.630 108.151 108.800 -0.032 0.000 2.421 1240 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.216 1240 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.216 1240 G C 1.213 176.076 174.900 -0.062 0.000 1.171 1240 G CA 0.603 45.645 45.100 -0.097 0.000 0.775 1240 G HN 0.379 nan 8.290 nan 0.000 0.543 1241 Y N 0.274 120.604 120.300 0.049 0.000 2.352 1241 Y HA 0.075 4.625 4.550 -0.000 0.000 0.292 1241 Y C 2.649 178.574 175.900 0.042 0.000 1.136 1241 Y CA 0.355 58.477 58.100 0.037 0.000 1.227 1241 Y CB 0.004 38.471 38.460 0.012 0.000 0.991 1241 Y HN 0.141 nan 8.280 nan 0.000 0.545 1242 I N -1.083 119.599 120.570 0.186 0.000 2.500 1242 I HA -0.283 3.887 4.170 -0.000 0.000 0.252 1242 I C 2.558 178.750 176.117 0.125 0.000 1.142 1242 I CA 1.048 62.426 61.300 0.130 0.000 1.451 1242 I CB -0.404 37.656 38.000 0.101 0.000 1.093 1242 I HN 0.378 nan 8.210 nan 0.000 0.430 1243 H N 1.224 120.316 119.070 0.037 0.000 2.357 1243 H HA -0.207 4.349 4.556 0.000 0.000 0.301 1243 H C 2.073 177.419 175.328 0.029 0.000 1.082 1243 H CA 1.887 57.948 56.048 0.021 0.000 1.342 1243 H CB 0.244 30.004 29.762 -0.005 0.000 1.389 1243 H HN 0.402 nan 8.280 nan 0.000 0.511 1244 E N 0.674 120.885 120.200 0.019 0.000 2.110 1244 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 1244 E C 2.608 179.197 176.600 -0.019 0.000 0.988 1244 E CA 0.536 56.920 56.400 -0.028 0.000 0.804 1244 E CB -0.051 29.690 29.700 0.068 0.000 0.745 1244 E HN 0.462 nan 8.360 nan 0.000 0.458 1245 L N 0.863 122.109 121.223 0.038 0.000 1.989 1245 L HA -0.220 4.120 4.340 -0.000 0.000 0.211 1245 L C 2.353 179.238 176.870 0.024 0.000 1.071 1245 L CA 1.591 56.464 54.840 0.054 0.000 0.749 1245 L CB -0.305 41.801 42.059 0.079 0.000 0.890 1245 L HN 0.311 nan 8.230 nan 0.000 0.431 1246 I N -1.007 119.555 120.570 -0.013 0.000 2.179 1246 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 1246 I C 2.488 178.567 176.117 -0.063 0.000 1.088 1246 I CA 1.090 62.374 61.300 -0.026 0.000 1.357 1246 I CB -0.392 37.590 38.000 -0.031 0.000 1.051 1246 I HN 0.092 nan 8.210 nan 0.000 0.409 1247 V N 1.111 120.921 119.914 -0.173 0.000 2.343 1247 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 1247 V C 2.703 178.766 176.094 -0.051 0.000 1.051 1247 V CA 2.529 64.737 62.300 -0.154 0.000 1.036 1247 V CB -1.203 30.450 31.823 -0.284 0.000 0.654 1247 V HN 0.648 nan 8.190 nan 0.000 0.451 1248 T N -2.078 112.454 114.554 -0.037 0.000 2.995 1248 T HA -0.158 4.192 4.350 -0.000 0.000 0.269 1248 T C 1.682 176.418 174.700 0.061 0.000 1.091 1248 T CA 1.401 63.503 62.100 0.004 0.000 1.128 1248 T CB -0.139 68.714 68.868 -0.026 0.000 0.891 1248 T HN 0.410 nan 8.240 nan 0.000 0.492 1249 E N 1.411 121.655 120.200 0.074 0.000 2.072 1249 E HA -0.073 4.277 4.350 -0.000 0.000 0.190 1249 E C 2.327 179.016 176.600 0.149 0.000 0.982 1249 E CA 0.892 57.384 56.400 0.154 0.000 0.803 1249 E CB -0.255 29.531 29.700 0.144 0.000 0.755 1249 E HN 0.454 nan 8.360 nan 0.000 0.453 1250 E N 0.579 120.827 120.200 0.080 0.000 2.038 1250 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 1250 E C 1.775 178.418 176.600 0.072 0.000 1.000 1250 E CA 1.156 57.591 56.400 0.059 0.000 0.803 1250 E CB -0.408 29.308 29.700 0.028 0.000 0.750 1250 E HN 0.296 nan 8.360 nan 0.000 0.448 1251 N N 0.308 119.057 118.700 0.082 0.000 2.223 1251 N HA -0.163 4.577 4.740 -0.000 0.000 0.185 1251 N C 1.731 177.333 175.510 0.153 0.000 1.016 1251 N CA 0.750 53.859 53.050 0.099 0.000 0.863 1251 N CB -0.537 38.001 38.487 0.085 0.000 0.983 1251 N HN 0.252 nan 8.380 nan 0.000 0.429 1252 Y N 1.690 122.012 120.300 0.036 0.000 2.133 1252 Y HA -0.072 4.477 4.550 -0.000 0.000 0.287 1252 Y C 2.189 178.123 175.900 0.056 0.000 1.134 1252 Y CA 0.990 59.115 58.100 0.041 0.000 1.133 1252 Y CB -0.575 37.889 38.460 0.007 0.000 0.987 1252 Y HN -0.196 nan 8.280 nan 0.000 0.502 1253 V N 1.671 121.528 119.914 -0.094 0.000 2.407 1253 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 1253 V C 2.476 178.514 176.094 -0.094 0.000 1.055 1253 V CA 2.132 64.323 62.300 -0.182 0.000 1.049 1253 V CB -0.915 30.886 31.823 -0.037 0.000 0.662 1253 V HN 0.582 nan 8.190 nan 0.000 0.455 1254 N N 0.307 119.000 118.700 -0.011 0.000 2.120 1254 N HA -0.210 4.530 4.740 -0.000 0.000 0.188 1254 N C 1.492 177.029 175.510 0.045 0.000 1.024 1254 N CA 1.839 54.901 53.050 0.020 0.000 0.852 1254 N CB -0.087 38.426 38.487 0.045 0.000 1.003 1254 N HN 0.448 nan 8.380 nan 0.000 0.424 1255 D N 0.996 121.449 120.400 0.088 0.000 2.178 1255 D HA -0.081 4.559 4.640 -0.000 0.000 0.202 1255 D C 2.164 178.588 176.300 0.207 0.000 0.974 1255 D CA 0.402 54.529 54.000 0.211 0.000 0.841 1255 D CB -0.199 40.813 40.800 0.353 0.000 0.953 1255 D HN 0.351 nan 8.370 nan 0.000 0.478 1256 L N 0.438 121.679 121.223 0.030 0.000 2.046 1256 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 1256 L C 2.475 179.533 176.870 0.314 0.000 1.077 1256 L CA 1.169 56.090 54.840 0.135 0.000 0.747 1256 L CB -0.354 41.475 42.059 -0.383 0.000 0.896 1256 L HN -0.004 nan 8.230 nan 0.000 0.432 1257 Q N -0.339 119.520 119.800 0.099 0.000 2.230 1257 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 1257 Q C 2.371 178.382 176.000 0.019 0.000 0.963 1257 Q CA 0.951 56.793 55.803 0.064 0.000 0.866 1257 Q CB 0.000 28.743 28.738 0.009 0.000 0.931 1257 Q HN 0.516 nan 8.270 nan 0.000 0.452 1258 L N -0.243 120.984 121.223 0.007 0.000 2.017 1258 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 1258 L C 2.304 179.079 176.870 -0.158 0.000 1.073 1258 L CA 0.828 55.617 54.840 -0.086 0.000 0.745 1258 L CB -0.427 41.580 42.059 -0.086 0.000 0.894 1258 L HN 0.100 nan 8.230 nan 0.000 0.432 1259 V N -0.477 119.383 119.914 -0.089 0.000 2.332 1259 V HA -0.318 3.801 4.120 -0.000 0.000 0.248 1259 V C 2.541 178.487 176.094 -0.247 0.000 1.055 1259 V CA 2.408 64.635 62.300 -0.121 0.000 1.038 1259 V CB -0.714 30.977 31.823 -0.220 0.000 0.651 1259 V HN 0.504 nan 8.190 nan 0.000 0.450 1260 T N -0.860 113.561 114.554 -0.223 0.000 2.777 1260 T HA -0.217 4.133 4.350 -0.000 0.000 0.266 1260 T C 1.874 176.434 174.700 -0.234 0.000 1.040 1260 T CA 1.743 63.679 62.100 -0.273 0.000 1.141 1260 T CB -0.162 68.651 68.868 -0.092 0.000 0.868 1260 T HN 0.623 nan 8.240 nan 0.000 0.444 1261 E N 0.835 120.928 120.200 -0.179 0.000 2.028 1261 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 1261 E C 2.177 178.630 176.600 -0.246 0.000 0.988 1261 E CA 1.197 57.489 56.400 -0.180 0.000 0.799 1261 E CB -0.099 29.513 29.700 -0.147 0.000 0.755 1261 E HN 0.678 nan 8.360 nan 0.000 0.447 1262 I N -3.190 117.169 120.570 -0.352 0.000 3.783 1262 I HA 0.132 4.301 4.170 -0.000 0.000 0.310 1262 I C 1.010 176.740 176.117 -0.646 0.000 1.274 1262 I CA 0.295 61.277 61.300 -0.531 0.000 1.294 1262 I CB 0.036 37.612 38.000 -0.707 0.000 1.051 1262 I HN 0.009 nan 8.210 nan 0.000 0.435 1263 F N 0.805 120.584 119.950 -0.285 0.000 2.532 1263 F HA 0.174 4.701 4.527 -0.000 0.000 0.276 1263 F C 2.544 178.166 175.800 -0.297 0.000 0.911 1263 F CA 0.196 58.057 58.000 -0.230 0.000 1.196 1263 F CB -0.252 38.666 39.000 -0.136 0.000 1.087 1263 F HN -0.111 nan 8.300 nan 0.000 0.775 1264 Q N 1.419 120.918 119.800 -0.501 0.000 2.002 1264 Q HA -0.221 4.119 4.340 -0.000 0.000 0.204 1264 Q C 1.931 177.692 176.000 -0.398 0.000 0.988 1264 Q CA 2.110 57.314 55.803 -0.998 0.000 0.843 1264 Q CB -0.002 27.946 28.738 -1.317 0.000 0.908 1264 Q HN 0.289 nan 8.270 nan 0.000 0.420 1265 K N -0.326 119.912 120.400 -0.269 0.000 2.026 1265 K HA -0.121 4.198 4.320 -0.000 0.000 0.208 1265 K C -0.608 175.963 176.600 -0.048 0.000 1.048 1265 K CA 1.664 57.870 56.287 -0.136 0.000 0.929 1265 K CB -0.898 31.530 32.500 -0.120 0.000 0.713 1265 K HN 0.268 nan 8.250 nan 0.000 0.439 1266 P HA -0.153 nan 4.420 nan 0.000 0.215 1266 P C 1.297 178.740 177.300 0.238 0.000 1.153 1266 P CA 1.186 64.340 63.100 0.089 0.000 0.853 1266 P CB 0.059 31.752 31.700 -0.012 0.000 0.788 1267 L N -2.196 119.157 121.223 0.216 0.000 2.093 1267 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 1267 L C 2.437 179.426 176.870 0.198 0.000 1.085 1267 L CA 1.273 56.299 54.840 0.310 0.000 0.755 1267 L CB -0.656 41.613 42.059 0.351 0.000 0.904 1267 L HN 0.011 nan 8.230 nan 0.000 0.435 1268 M N -0.358 119.308 119.600 0.110 0.000 2.229 1268 M HA -0.143 4.337 4.480 -0.000 0.000 0.264 1268 M C 1.836 178.169 176.300 0.055 0.000 1.063 1268 M CA 1.673 57.018 55.300 0.075 0.000 1.114 1268 M CB -0.187 32.428 32.600 0.025 0.000 1.387 1268 M HN 0.029 nan 8.290 nan 0.000 0.420 1269 E N -0.641 119.589 120.200 0.051 0.000 2.478 1269 E HA 0.035 4.385 4.350 -0.000 0.000 0.194 1269 E C 2.019 178.626 176.600 0.012 0.000 1.045 1269 E CA 0.893 57.311 56.400 0.029 0.000 0.868 1269 E CB -0.468 29.248 29.700 0.027 0.000 0.885 1269 E HN 0.712 nan 8.360 nan 0.000 0.505 1270 S N 0.762 116.472 115.700 0.016 0.000 2.428 1270 S HA -0.107 4.363 4.470 -0.000 0.000 0.230 1270 S C 0.755 175.290 174.600 -0.108 0.000 1.014 1270 S CA 0.496 58.627 58.200 -0.116 0.000 0.957 1270 S CB 0.094 63.158 63.200 -0.226 0.000 0.784 1270 S HN 0.044 nan 8.310 nan 0.000 0.499 1271 E N -0.783 119.399 120.200 -0.030 0.000 3.413 1271 E HA -0.136 4.214 4.350 -0.000 0.000 0.300 1271 E C 0.280 176.873 176.600 -0.013 0.000 0.891 1271 E CA 0.691 57.080 56.400 -0.019 0.000 1.050 1271 E CB -1.927 27.751 29.700 -0.037 0.000 1.534 1271 E HN 0.481 nan 8.360 nan 0.000 0.436 1272 L N -0.645 120.585 121.223 0.011 0.000 2.354 1272 L HA 0.152 4.492 4.340 -0.000 0.000 0.212 1272 L C 0.644 177.570 176.870 0.094 0.000 1.091 1272 L CA 1.034 55.913 54.840 0.064 0.000 0.828 1272 L CB 0.236 42.381 42.059 0.144 0.000 0.973 1272 L HN 0.056 nan 8.230 nan 0.000 0.461 1273 L N -1.468 119.815 121.223 0.101 0.000 2.354 1273 L HA 0.439 4.778 4.340 -0.000 0.000 0.264 1273 L C 0.380 177.286 176.870 0.059 0.000 1.008 1273 L CA -0.405 54.484 54.840 0.083 0.000 0.819 1273 L CB 1.141 43.282 42.059 0.136 0.000 1.339 1273 L HN 0.049 nan 8.230 nan 0.000 0.420 1274 T N -2.893 111.685 114.554 0.041 0.000 2.816 1274 T HA 0.270 4.620 4.350 -0.000 0.000 0.282 1274 T C 1.017 175.747 174.700 0.050 0.000 0.993 1274 T CA -0.536 61.585 62.100 0.035 0.000 0.994 1274 T CB 1.269 70.150 68.868 0.021 0.000 1.025 1274 T HN 0.586 nan 8.240 nan 0.000 0.529 1275 E N 0.230 120.457 120.200 0.045 0.000 2.085 1275 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 1275 E C 2.077 178.713 176.600 0.060 0.000 0.994 1275 E CA 1.189 57.622 56.400 0.055 0.000 0.801 1275 E CB -0.131 29.595 29.700 0.043 0.000 0.743 1275 E HN 0.731 nan 8.360 nan 0.000 0.453 1276 K N 1.210 121.636 120.400 0.044 0.000 2.063 1276 K HA -0.222 4.098 4.320 -0.000 0.000 0.208 1276 K C 1.860 178.485 176.600 0.041 0.000 1.048 1276 K CA 1.616 57.926 56.287 0.039 0.000 0.928 1276 K CB 0.090 32.604 32.500 0.024 0.000 0.713 1276 K HN 0.106 nan 8.250 nan 0.000 0.442 1277 E N -0.174 120.050 120.200 0.040 0.000 2.107 1277 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 1277 E C 2.011 178.655 176.600 0.072 0.000 0.982 1277 E CA 1.050 57.470 56.400 0.032 0.000 0.809 1277 E CB 0.115 29.824 29.700 0.015 0.000 0.756 1277 E HN 0.075 nan 8.360 nan 0.000 0.459 1278 V N 1.594 121.583 119.914 0.125 0.000 2.295 1278 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 1278 V C 2.348 178.588 176.094 0.244 0.000 1.049 1278 V CA 1.941 64.376 62.300 0.226 0.000 1.024 1278 V CB -0.654 31.302 31.823 0.221 0.000 0.648 1278 V HN 0.325 nan 8.190 nan 0.000 0.447 1279 A N -0.929 121.991 122.820 0.166 0.000 2.019 1279 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 1279 A C 2.188 179.834 177.584 0.103 0.000 1.164 1279 A CA 1.899 54.030 52.037 0.157 0.000 0.644 1279 A CB -0.491 18.574 19.000 0.109 0.000 0.805 1279 A HN 0.524 nan 8.150 nan 0.000 0.449 1280 M N -0.942 118.687 119.600 0.048 0.000 2.374 1280 M HA -0.000 4.480 4.480 -0.000 0.000 0.264 1280 M C 1.732 177.988 176.300 -0.072 0.000 1.067 1280 M CA 1.105 56.398 55.300 -0.012 0.000 1.103 1280 M CB -0.283 32.302 32.600 -0.025 0.000 1.402 1280 M HN 0.424 nan 8.290 nan 0.000 0.444 1281 I N -1.507 118.999 120.570 -0.107 0.000 2.429 1281 I HA -0.124 4.046 4.170 -0.000 0.000 0.247 1281 I C 1.392 177.257 176.117 -0.420 0.000 1.099 1281 I CA 1.114 62.206 61.300 -0.347 0.000 1.422 1281 I CB -0.068 37.584 38.000 -0.579 0.000 1.112 1281 I HN 0.122 nan 8.210 nan 0.000 0.430 1282 F N -0.040 119.975 119.950 0.108 0.000 2.746 1282 F HA 0.128 4.655 4.527 -0.000 0.000 0.297 1282 F C 1.543 177.576 175.800 0.387 0.000 1.113 1282 F CA -0.151 57.984 58.000 0.225 0.000 1.367 1282 F CB -0.263 38.778 39.000 0.068 0.000 1.111 1282 F HN -0.233 nan 8.300 nan 0.000 0.590 1283 V N 0.529 120.648 119.914 0.341 0.000 0.690 1283 V HA -0.492 3.627 4.120 -0.000 0.000 0.092 1283 V C 1.102 177.403 176.094 0.345 0.000 0.785 1283 V CA 1.909 64.374 62.300 0.275 0.000 3.100 1283 V CB -1.341 30.587 31.823 0.175 0.000 0.192 1283 V HN 0.620 nan 8.190 nan 0.000 0.093 1284 N N 0.143 119.072 118.700 0.381 0.000 2.451 1284 N HA -0.018 4.721 4.740 -0.000 0.000 0.264 1284 N C 0.996 176.653 175.510 0.245 0.000 1.167 1284 N CA 0.243 53.452 53.050 0.265 0.000 0.898 1284 N CB -0.307 38.277 38.487 0.162 0.000 1.176 1284 N HN 0.891 nan 8.380 nan 0.000 0.507 1285 W N 1.960 123.350 121.300 0.151 0.000 2.308 1285 W HA -0.240 4.420 4.660 -0.000 0.000 0.301 1285 W C 1.530 178.019 176.519 -0.051 0.000 1.220 1285 W CA 1.726 59.072 57.345 0.002 0.000 1.240 1285 W CB 0.074 29.606 29.460 0.121 0.000 1.142 1285 W HN 0.337 nan 8.180 nan 0.000 0.521 1286 K N 0.574 121.103 120.400 0.214 0.000 2.097 1286 K HA -0.224 4.096 4.320 -0.000 0.000 0.206 1286 K C 1.922 178.520 176.600 -0.002 0.000 1.049 1286 K CA 1.811 58.156 56.287 0.096 0.000 0.933 1286 K CB -0.427 32.128 32.500 0.092 0.000 0.717 1286 K HN 0.125 nan 8.250 nan 0.000 0.442 1287 E N 0.521 120.714 120.200 -0.011 0.000 2.106 1287 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 1287 E C 2.081 178.610 176.600 -0.118 0.000 0.984 1287 E CA 0.994 57.369 56.400 -0.042 0.000 0.806 1287 E CB -0.009 29.681 29.700 -0.016 0.000 0.750 1287 E HN 0.346 nan 8.360 nan 0.000 0.458 1288 L N 0.618 121.687 121.223 -0.257 0.000 2.046 1288 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 1288 L C 2.479 179.185 176.870 -0.273 0.000 1.077 1288 L CA 0.952 55.546 54.840 -0.410 0.000 0.747 1288 L CB -0.490 41.080 42.059 -0.815 0.000 0.896 1288 L HN 0.176 nan 8.230 nan 0.000 0.432 1289 I N -0.335 120.073 120.570 -0.271 0.000 2.142 1289 I HA -0.341 3.829 4.170 -0.000 0.000 0.240 1289 I C 2.717 178.785 176.117 -0.082 0.000 1.078 1289 I CA 1.603 62.799 61.300 -0.173 0.000 1.343 1289 I CB -0.230 37.712 38.000 -0.097 0.000 1.046 1289 I HN 0.251 nan 8.210 nan 0.000 0.405 1290 M N -0.117 119.449 119.600 -0.057 0.000 2.082 1290 M HA -0.305 4.175 4.480 -0.000 0.000 0.258 1290 M C 2.750 179.040 176.300 -0.018 0.000 1.069 1290 M CA 1.942 57.223 55.300 -0.032 0.000 1.102 1290 M CB -0.875 31.709 32.600 -0.027 0.000 1.336 1290 M HN 0.543 nan 8.290 nan 0.000 0.404 1291 C N 1.431 120.728 119.300 -0.005 0.000 2.413 1291 C HA -0.162 4.298 4.460 -0.000 0.000 0.276 1291 C C 2.439 177.481 174.990 0.087 0.000 1.236 1291 C CA 1.395 60.442 59.018 0.049 0.000 1.735 1291 C CB -1.231 26.568 27.740 0.099 0.000 2.031 1291 C HN 0.534 nan 8.230 nan 0.000 0.474 1292 N N 0.370 119.129 118.700 0.097 0.000 2.354 1292 N HA 0.046 4.786 4.740 -0.000 0.000 0.179 1292 N C 1.738 177.294 175.510 0.076 0.000 1.021 1292 N CA 1.183 54.316 53.050 0.138 0.000 0.887 1292 N CB -0.188 38.427 38.487 0.213 0.000 0.974 1292 N HN 0.596 nan 8.380 nan 0.000 0.437 1293 I N 1.527 122.113 120.570 0.027 0.000 2.315 1293 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 1293 I C 2.544 178.672 176.117 0.018 0.000 1.117 1293 I CA 0.991 62.300 61.300 0.014 0.000 1.404 1293 I CB -0.060 37.936 38.000 -0.006 0.000 1.071 1293 I HN 0.083 nan 8.210 nan 0.000 0.419 1294 K N 1.240 121.649 120.400 0.015 0.000 2.097 1294 K HA -0.181 4.139 4.320 -0.000 0.000 0.205 1294 K C 2.226 178.842 176.600 0.027 0.000 1.050 1294 K CA 1.130 57.422 56.287 0.008 0.000 0.938 1294 K CB 0.028 32.519 32.500 -0.016 0.000 0.718 1294 K HN 0.285 nan 8.250 nan 0.000 0.442 1295 L N 1.054 122.305 121.223 0.047 0.000 2.072 1295 L HA -0.131 4.209 4.340 -0.000 0.000 0.205 1295 L C 2.258 179.153 176.870 0.043 0.000 1.079 1295 L CA 1.014 55.880 54.840 0.044 0.000 0.752 1295 L CB -0.249 41.841 42.059 0.052 0.000 0.906 1295 L HN 0.371 nan 8.230 nan 0.000 0.436 1296 L N 0.020 121.276 121.223 0.055 0.000 2.017 1296 L HA -0.286 4.054 4.340 -0.000 0.000 0.208 1296 L C 2.658 179.547 176.870 0.031 0.000 1.073 1296 L CA 1.620 56.490 54.840 0.050 0.000 0.745 1296 L CB -0.262 41.828 42.059 0.052 0.000 0.894 1296 L HN 0.313 nan 8.230 nan 0.000 0.432 1297 K N -0.466 119.949 120.400 0.024 0.000 2.063 1297 K HA -0.193 4.127 4.320 -0.000 0.000 0.208 1297 K C 2.034 178.642 176.600 0.014 0.000 1.048 1297 K CA 1.505 57.802 56.287 0.016 0.000 0.928 1297 K CB -0.203 32.303 32.500 0.010 0.000 0.713 1297 K HN 0.388 nan 8.250 nan 0.000 0.442 1298 A N 1.147 123.976 122.820 0.015 0.000 1.929 1298 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 1298 A C 2.074 179.664 177.584 0.010 0.000 1.176 1298 A CA 1.028 53.072 52.037 0.010 0.000 0.628 1298 A CB -0.471 18.535 19.000 0.009 0.000 0.816 1298 A HN 0.139 nan 8.150 nan 0.000 0.444 1299 L N -1.113 120.119 121.223 0.015 0.000 2.056 1299 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 1299 L C 2.863 179.745 176.870 0.021 0.000 1.078 1299 L CA 1.406 56.256 54.840 0.018 0.000 0.749 1299 L CB -0.489 41.586 42.059 0.027 0.000 0.901 1299 L HN 0.351 nan 8.230 nan 0.000 0.433 1300 R N -0.590 119.923 120.500 0.021 0.000 2.081 1300 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 1300 R C 2.271 178.582 176.300 0.018 0.000 1.131 1300 R CA 1.107 57.219 56.100 0.021 0.000 0.960 1300 R CB -0.474 29.837 30.300 0.019 0.000 0.856 1300 R HN 0.155 nan 8.270 nan 0.000 0.436 1301 V N 1.058 120.980 119.914 0.014 0.000 2.295 1301 V HA -0.266 3.853 4.120 -0.000 0.000 0.246 1301 V C 2.397 178.498 176.094 0.012 0.000 1.049 1301 V CA 1.931 64.238 62.300 0.011 0.000 1.024 1301 V CB -0.468 31.359 31.823 0.008 0.000 0.648 1301 V HN 0.211 nan 8.190 nan 0.000 0.447 1302 R N 1.042 121.548 120.500 0.011 0.000 2.081 1302 R HA -0.181 4.159 4.340 -0.000 0.000 0.235 1302 R C 2.146 178.458 176.300 0.020 0.000 1.131 1302 R CA 1.930 58.037 56.100 0.012 0.000 0.960 1302 R CB -0.640 29.665 30.300 0.008 0.000 0.856 1302 R HN 0.408 nan 8.270 nan 0.000 0.436 1303 K N 0.708 121.123 120.400 0.025 0.000 2.057 1303 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 1303 K C 1.674 178.291 176.600 0.029 0.000 1.049 1303 K CA 1.945 58.252 56.287 0.033 0.000 0.931 1303 K CB -0.081 32.443 32.500 0.039 0.000 0.714 1303 K HN 0.237 nan 8.250 nan 0.000 0.440 1304 K N -0.082 120.332 120.400 0.023 0.000 2.026 1304 K HA -0.114 4.206 4.320 -0.000 0.000 0.208 1304 K C 2.234 178.844 176.600 0.017 0.000 1.048 1304 K CA 1.788 58.087 56.287 0.020 0.000 0.929 1304 K CB -0.255 32.254 32.500 0.016 0.000 0.713 1304 K HN 0.252 nan 8.250 nan 0.000 0.439 1305 M N 0.937 120.546 119.600 0.015 0.000 2.108 1305 M HA -0.216 4.264 4.480 -0.000 0.000 0.261 1305 M C 1.863 178.172 176.300 0.015 0.000 1.066 1305 M CA 1.731 57.039 55.300 0.013 0.000 1.107 1305 M CB -0.037 32.569 32.600 0.011 0.000 1.356 1305 M HN 0.008 nan 8.290 nan 0.000 0.406 1306 S N 0.265 115.977 115.700 0.020 0.000 2.365 1306 S HA 0.073 4.543 4.470 -0.000 0.000 0.225 1306 S C 0.949 175.561 174.600 0.021 0.000 1.039 1306 S CA 1.048 59.262 58.200 0.024 0.000 1.033 1306 S CB -0.668 62.551 63.200 0.031 0.000 0.887 1306 S HN 0.856 nan 8.310 nan 0.000 0.447 1307 G N 0.267 109.079 108.800 0.020 0.000 2.528 1307 G HA2 0.051 4.011 3.960 -0.000 0.000 0.681 1307 G HA3 0.051 4.011 3.960 -0.000 0.000 0.681 1307 G C -0.067 174.843 174.900 0.018 0.000 1.340 1307 G CA 0.005 45.116 45.100 0.017 0.000 0.855 1307 G HN 0.042 nan 8.290 nan 0.000 0.649 1308 E N 0.407 120.616 120.200 0.015 0.000 2.103 1308 E HA -0.210 4.140 4.350 -0.000 0.000 0.229 1308 E C 1.658 178.265 176.600 0.012 0.000 1.061 1308 E CA 2.392 58.800 56.400 0.014 0.000 0.916 1308 E CB -0.093 29.613 29.700 0.009 0.000 0.806 1308 E HN 0.594 nan 8.360 nan 0.000 0.489 1309 K N -0.832 119.572 120.400 0.007 0.000 3.010 1309 K HA 0.239 4.559 4.320 -0.000 0.000 0.211 1309 K C -0.655 175.947 176.600 0.003 0.000 1.146 1309 K CA -0.312 55.975 56.287 0.001 0.000 1.070 1309 K CB 0.740 33.237 32.500 -0.005 0.000 0.908 1309 K HN 0.073 nan 8.250 nan 0.000 0.463 1310 M N 1.940 121.546 119.600 0.011 0.000 2.578 1310 M HA 0.399 4.879 4.480 -0.000 0.000 0.321 1310 M C -2.472 173.842 176.300 0.022 0.000 1.182 1310 M CA -2.917 52.392 55.300 0.015 0.000 0.965 1310 M CB 0.801 33.411 32.600 0.016 0.000 1.694 1310 M HN -0.031 nan 8.290 nan 0.000 0.461 1311 P HA 0.161 nan 4.420 nan 0.000 0.280 1311 P C -0.485 176.847 177.300 0.052 0.000 1.244 1311 P CA -0.375 62.749 63.100 0.040 0.000 0.784 1311 P CB 1.038 32.766 31.700 0.046 0.000 0.913 1312 V N 4.673 124.623 119.914 0.060 0.000 2.470 1312 V HA 0.033 4.153 4.120 -0.000 0.000 0.276 1312 V C 1.328 177.478 176.094 0.093 0.000 1.040 1312 V CA 0.222 62.561 62.300 0.064 0.000 1.008 1312 V CB -0.110 31.749 31.823 0.061 0.000 0.990 1312 V HN 0.504 nan 8.190 nan 0.000 0.477 1313 K N 5.518 125.975 120.400 0.095 0.000 2.167 1313 K HA 0.231 4.551 4.320 -0.000 0.000 0.203 1313 K C 0.253 176.978 176.600 0.208 0.000 1.052 1313 K CA 0.986 57.360 56.287 0.146 0.000 0.956 1313 K CB 0.158 32.694 32.500 0.061 0.000 0.735 1313 K HN 0.620 nan 8.250 nan 0.000 0.451 1314 M N -0.080 119.591 119.600 0.117 0.000 2.386 1314 M HA 0.239 4.719 4.480 -0.000 0.000 0.293 1314 M C -0.555 175.769 176.300 0.040 0.000 1.120 1314 M CA -0.280 55.079 55.300 0.098 0.000 0.909 1314 M CB 2.640 35.272 32.600 0.052 0.000 1.661 1314 M HN -0.062 nan 8.290 nan 0.000 0.452 1315 I N 0.459 121.044 120.570 0.026 0.000 5.046 1315 I HA 0.286 4.456 4.170 -0.000 0.000 0.341 1315 I C 1.642 177.741 176.117 -0.029 0.000 1.257 1315 I CA 0.824 62.123 61.300 -0.001 0.000 1.421 1315 I CB 0.666 38.676 38.000 0.018 0.000 1.495 1315 I HN 0.800 nan 8.210 nan 0.000 0.518 1316 G N 1.189 109.983 108.800 -0.011 0.000 2.432 1316 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.219 1316 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.219 1316 G C 1.267 176.135 174.900 -0.053 0.000 1.135 1316 G CA 1.201 46.303 45.100 0.002 0.000 0.767 1316 G HN 0.557 nan 8.290 nan 0.000 0.550 1317 D N 1.054 121.293 120.400 -0.269 0.000 2.144 1317 D HA -0.117 4.523 4.640 -0.000 0.000 0.199 1317 D C 2.385 178.579 176.300 -0.176 0.000 0.984 1317 D CA 0.582 54.310 54.000 -0.453 0.000 0.834 1317 D CB -0.493 39.866 40.800 -0.735 0.000 0.955 1317 D HN 0.422 nan 8.370 nan 0.000 0.465 1318 I N 0.419 120.914 120.570 -0.124 0.000 2.202 1318 I HA -0.214 3.955 4.170 -0.000 0.000 0.242 1318 I C 2.733 178.806 176.117 -0.072 0.000 1.091 1318 I CA 0.660 61.916 61.300 -0.074 0.000 1.368 1318 I CB -0.176 37.793 38.000 -0.051 0.000 1.058 1318 I HN -0.060 nan 8.210 nan 0.000 0.410 1319 L N -0.334 120.839 121.223 -0.082 0.000 2.017 1319 L HA -0.241 4.098 4.340 -0.000 0.000 0.208 1319 L C 2.750 179.557 176.870 -0.105 0.000 1.073 1319 L CA 1.512 56.282 54.840 -0.117 0.000 0.745 1319 L CB -0.684 41.305 42.059 -0.116 0.000 0.894 1319 L HN 0.238 nan 8.230 nan 0.000 0.432 1320 S N -0.411 115.259 115.700 -0.051 0.000 2.383 1320 S HA -0.217 4.253 4.470 -0.000 0.000 0.229 1320 S C 2.013 176.578 174.600 -0.058 0.000 1.030 1320 S CA 1.428 59.619 58.200 -0.015 0.000 1.002 1320 S CB -0.094 63.167 63.200 0.101 0.000 0.829 1320 S HN 0.463 nan 8.310 nan 0.000 0.467 1321 A N -0.283 122.500 122.820 -0.063 0.000 2.016 1321 A HA 0.095 4.415 4.320 -0.000 0.000 0.217 1321 A C 2.065 179.556 177.584 -0.156 0.000 1.162 1321 A CA 1.296 53.281 52.037 -0.088 0.000 0.662 1321 A CB -0.526 18.452 19.000 -0.036 0.000 0.812 1321 A HN 0.530 nan 8.150 nan 0.000 0.450 1322 Q N -0.306 119.433 119.800 -0.102 0.000 2.089 1322 Q HA 0.154 4.494 4.340 -0.000 0.000 0.195 1322 Q C 1.881 177.802 176.000 -0.131 0.000 0.963 1322 Q CA 0.906 56.677 55.803 -0.052 0.000 0.834 1322 Q CB -0.411 28.310 28.738 -0.028 0.000 0.906 1322 Q HN 0.618 nan 8.270 nan 0.000 0.452 1323 L N 0.730 121.847 121.223 -0.177 0.000 2.103 1323 L HA -0.228 4.112 4.340 -0.000 0.000 0.215 1323 L C -0.784 176.007 176.870 -0.133 0.000 1.080 1323 L CA 1.510 56.242 54.840 -0.181 0.000 0.764 1323 L CB -1.308 40.638 42.059 -0.188 0.000 0.890 1323 L HN 0.237 nan 8.230 nan 0.000 0.435 1324 P HA -0.125 nan 4.420 nan 0.000 0.226 1324 P C 0.977 178.213 177.300 -0.106 0.000 1.153 1324 P CA 1.149 64.149 63.100 -0.167 0.000 0.777 1324 P CB -0.034 31.526 31.700 -0.233 0.000 0.794 1325 H N -1.694 117.379 119.070 0.004 0.000 2.543 1325 H HA 0.209 4.765 4.556 -0.000 0.000 0.269 1325 H C 1.262 176.629 175.328 0.065 0.000 1.005 1325 H CA 0.690 56.754 56.048 0.027 0.000 1.146 1325 H CB -0.205 29.569 29.762 0.020 0.000 1.353 1325 H HN 0.212 nan 8.280 nan 0.000 0.595 1326 M N 0.116 119.811 119.600 0.159 0.000 2.505 1326 M HA 0.039 4.518 4.480 -0.000 0.000 0.230 1326 M C 1.279 177.736 176.300 0.262 0.000 1.153 1326 M CA 0.111 55.548 55.300 0.229 0.000 0.997 1326 M CB 0.292 32.950 32.600 0.097 0.000 1.606 1326 M HN 0.057 nan 8.290 nan 0.000 0.481 1327 Q N 0.579 120.482 119.800 0.172 0.000 2.217 1327 Q HA -0.135 4.205 4.340 -0.000 0.000 0.209 1327 Q C -0.637 175.467 176.000 0.172 0.000 0.988 1327 Q CA 1.619 57.511 55.803 0.148 0.000 0.878 1327 Q CB -1.786 27.014 28.738 0.103 0.000 0.909 1327 Q HN 0.376 nan 8.270 nan 0.000 0.424 1328 P HA -0.172 nan 4.420 nan 0.000 0.218 1328 P C 0.850 178.203 177.300 0.089 0.000 1.146 1328 P CA 1.130 64.286 63.100 0.093 0.000 0.813 1328 P CB -0.289 31.424 31.700 0.023 0.000 0.778 1329 Y N -1.210 119.154 120.300 0.106 0.000 2.333 1329 Y HA -0.155 4.395 4.550 -0.000 0.000 0.290 1329 Y C 2.211 178.206 175.900 0.158 0.000 1.144 1329 Y CA 0.788 58.972 58.100 0.141 0.000 1.228 1329 Y CB -0.861 37.662 38.460 0.105 0.000 0.985 1329 Y HN -0.037 nan 8.280 nan 0.000 0.542 1330 I N -0.408 120.311 120.570 0.249 0.000 2.142 1330 I HA -0.326 3.844 4.170 -0.000 0.000 0.240 1330 I C 2.683 178.877 176.117 0.128 0.000 1.078 1330 I CA 1.473 62.870 61.300 0.162 0.000 1.343 1330 I CB -0.407 37.663 38.000 0.116 0.000 1.046 1330 I HN 0.092 nan 8.210 nan 0.000 0.405 1331 R N 0.685 121.256 120.500 0.119 0.000 2.083 1331 R HA -0.236 4.104 4.340 -0.000 0.000 0.237 1331 R C 2.477 178.828 176.300 0.084 0.000 1.137 1331 R CA 1.906 58.059 56.100 0.088 0.000 0.951 1331 R CB -0.453 29.900 30.300 0.088 0.000 0.851 1331 R HN 0.229 nan 8.270 nan 0.000 0.434 1332 F N 0.895 120.858 119.950 0.022 0.000 2.046 1332 F HA -0.288 4.239 4.527 -0.000 0.000 0.297 1332 F C 2.281 178.114 175.800 0.056 0.000 1.123 1332 F CA 1.866 59.882 58.000 0.027 0.000 1.199 1332 F CB -0.621 38.351 39.000 -0.047 0.000 0.972 1332 F HN 0.093 nan 8.300 nan 0.000 0.474 1333 C N 0.303 119.683 119.300 0.133 0.000 2.422 1333 C HA -0.130 4.330 4.460 -0.000 0.000 0.279 1333 C C 3.128 178.083 174.990 -0.059 0.000 1.305 1333 C CA 1.295 60.344 59.018 0.051 0.000 1.757 1333 C CB -1.755 26.107 27.740 0.202 0.000 1.962 1333 C HN 0.711 nan 8.230 nan 0.000 0.499 1334 S N 0.402 116.082 115.700 -0.033 0.000 2.515 1334 S HA -0.031 4.439 4.470 -0.000 0.000 0.231 1334 S C 1.548 176.095 174.600 -0.089 0.000 0.987 1334 S CA 0.850 59.026 58.200 -0.041 0.000 0.936 1334 S CB -0.350 62.847 63.200 -0.005 0.000 0.766 1334 S HN 0.726 nan 8.310 nan 0.000 0.528 1335 R N 0.398 120.799 120.500 -0.166 0.000 2.446 1335 R HA 0.200 4.540 4.340 -0.000 0.000 0.254 1335 R C 2.303 178.444 176.300 -0.265 0.000 0.918 1335 R CA 0.494 56.486 56.100 -0.180 0.000 1.069 1335 R CB 0.025 30.240 30.300 -0.143 0.000 1.194 1335 R HN 0.728 nan 8.270 nan 0.000 0.534 1336 Q N 0.721 120.280 119.800 -0.403 0.000 2.119 1336 Q HA -0.152 4.187 4.340 -0.000 0.000 0.201 1336 Q C 1.736 177.618 176.000 -0.196 0.000 0.972 1336 Q CA 1.232 56.788 55.803 -0.413 0.000 0.847 1336 Q CB -0.187 28.246 28.738 -0.507 0.000 0.903 1336 Q HN 0.192 nan 8.270 nan 0.000 0.433 1337 L N 2.215 123.354 121.223 -0.140 0.000 2.012 1337 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 1337 L C 1.731 178.546 176.870 -0.091 0.000 1.073 1337 L CA 1.899 56.684 54.840 -0.092 0.000 0.748 1337 L CB -0.709 41.305 42.059 -0.076 0.000 0.891 1337 L HN 0.271 nan 8.230 nan 0.000 0.431 1338 N N -0.287 118.355 118.700 -0.097 0.000 2.381 1338 N HA -0.091 4.649 4.740 -0.000 0.000 0.182 1338 N C 1.700 177.156 175.510 -0.090 0.000 1.025 1338 N CA 1.164 54.165 53.050 -0.081 0.000 0.888 1338 N CB -0.442 38.005 38.487 -0.068 0.000 0.965 1338 N HN 0.545 nan 8.380 nan 0.000 0.438 1339 G N 0.386 109.115 108.800 -0.119 0.000 2.426 1339 G HA2 0.004 3.964 3.960 -0.000 0.000 0.214 1339 G HA3 0.004 3.964 3.960 -0.000 0.000 0.214 1339 G C 1.657 176.485 174.900 -0.121 0.000 1.156 1339 G CA 0.719 45.738 45.100 -0.135 0.000 0.802 1339 G HN 0.384 nan 8.290 nan 0.000 0.534 1340 A N 1.361 124.121 122.820 -0.101 0.000 1.898 1340 A HA 0.307 4.627 4.320 -0.000 0.000 0.216 1340 A C 2.796 180.344 177.584 -0.059 0.000 1.181 1340 A CA 2.124 54.118 52.037 -0.072 0.000 0.620 1340 A CB -0.800 18.169 19.000 -0.051 0.000 0.819 1340 A HN 0.704 nan 8.150 nan 0.000 0.442 1341 A N -0.201 122.582 122.820 -0.061 0.000 1.908 1341 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 1341 A C 2.149 179.694 177.584 -0.065 0.000 1.181 1341 A CA 1.630 53.635 52.037 -0.053 0.000 0.627 1341 A CB -0.565 18.405 19.000 -0.050 0.000 0.818 1341 A HN 0.566 nan 8.150 nan 0.000 0.445 1342 L N 0.045 121.220 121.223 -0.080 0.000 2.017 1342 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 1342 L C 2.272 179.053 176.870 -0.148 0.000 1.073 1342 L CA 2.066 56.841 54.840 -0.109 0.000 0.745 1342 L CB -0.918 41.079 42.059 -0.104 0.000 0.894 1342 L HN 0.474 nan 8.230 nan 0.000 0.432 1343 I N -0.038 120.474 120.570 -0.097 0.000 2.163 1343 I HA -0.341 3.829 4.170 -0.000 0.000 0.243 1343 I C 2.646 178.758 176.117 -0.009 0.000 1.085 1343 I CA 1.375 62.662 61.300 -0.022 0.000 1.347 1343 I CB -0.280 37.748 38.000 0.045 0.000 1.044 1343 I HN 0.346 nan 8.210 nan 0.000 0.408 1344 Q N 0.911 120.701 119.800 -0.017 0.000 2.061 1344 Q HA -0.283 4.057 4.340 -0.000 0.000 0.204 1344 Q C 2.130 178.111 176.000 -0.031 0.000 0.984 1344 Q CA 1.944 57.746 55.803 -0.003 0.000 0.846 1344 Q CB -0.363 28.369 28.738 -0.012 0.000 0.902 1344 Q HN 0.475 nan 8.270 nan 0.000 0.421 1345 Q N -0.510 119.248 119.800 -0.071 0.000 2.061 1345 Q HA -0.240 4.100 4.340 -0.000 0.000 0.204 1345 Q C 1.698 177.622 176.000 -0.127 0.000 0.984 1345 Q CA 1.789 57.543 55.803 -0.082 0.000 0.846 1345 Q CB -0.049 28.638 28.738 -0.086 0.000 0.902 1345 Q HN 0.092 nan 8.270 nan 0.000 0.421 1346 K N -0.250 119.992 120.400 -0.263 0.000 2.057 1346 K HA -0.070 4.250 4.320 -0.000 0.000 0.207 1346 K C 2.062 178.544 176.600 -0.196 0.000 1.049 1346 K CA 1.821 57.833 56.287 -0.459 0.000 0.931 1346 K CB -0.583 31.170 32.500 -1.245 0.000 0.714 1346 K HN 0.221 nan 8.250 nan 0.000 0.440 1347 T N 1.343 115.904 114.554 0.011 0.000 2.684 1347 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 1347 T C 1.022 175.796 174.700 0.123 0.000 1.036 1347 T CA 1.784 64.030 62.100 0.244 0.000 1.148 1347 T CB -0.258 68.737 68.868 0.211 0.000 0.863 1347 T HN 0.255 nan 8.240 nan 0.000 0.436 1348 D N 1.058 121.489 120.400 0.051 0.000 2.194 1348 D HA -0.056 4.584 4.640 -0.000 0.000 0.204 1348 D C 2.156 178.470 176.300 0.023 0.000 0.964 1348 D CA 0.876 54.896 54.000 0.034 0.000 0.846 1348 D CB -0.252 40.557 40.800 0.015 0.000 0.962 1348 D HN 0.722 nan 8.370 nan 0.000 0.490 1349 E N 0.398 120.599 120.200 0.002 0.000 2.478 1349 E HA 0.247 4.597 4.350 -0.000 0.000 0.194 1349 E C 0.165 176.773 176.600 0.013 0.000 1.045 1349 E CA 0.026 56.424 56.400 -0.003 0.000 0.868 1349 E CB 0.436 30.119 29.700 -0.029 0.000 0.885 1349 E HN 0.029 nan 8.360 nan 0.000 0.505 1350 A N 2.061 124.906 122.820 0.042 0.000 2.414 1350 A HA 0.358 4.678 4.320 -0.000 0.000 0.286 1350 A C -2.167 175.492 177.584 0.124 0.000 1.073 1350 A CA -1.523 50.559 52.037 0.076 0.000 0.727 1350 A CB 1.482 20.530 19.000 0.081 0.000 1.215 1350 A HN -0.055 nan 8.150 nan 0.000 0.430 1351 P HA -0.134 nan 4.420 nan 0.000 0.217 1351 P C 0.406 177.775 177.300 0.115 0.000 1.151 1351 P CA 1.175 64.331 63.100 0.093 0.000 0.828 1351 P CB 0.322 32.059 31.700 0.062 0.000 0.788 1352 D N -0.370 120.098 120.400 0.114 0.000 2.092 1352 D HA -0.167 4.473 4.640 -0.000 0.000 0.193 1352 D C 1.902 178.308 176.300 0.176 0.000 0.994 1352 D CA 0.964 55.031 54.000 0.111 0.000 0.828 1352 D CB -1.114 39.728 40.800 0.070 0.000 0.963 1352 D HN 0.119 nan 8.370 nan 0.000 0.450 1353 F N 1.830 121.826 119.950 0.078 0.000 2.069 1353 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 1353 F C 2.402 178.292 175.800 0.149 0.000 1.113 1353 F CA 1.831 59.907 58.000 0.126 0.000 1.214 1353 F CB -0.091 38.958 39.000 0.081 0.000 0.978 1353 F HN -0.196 nan 8.300 nan 0.000 0.474 1354 K N -0.091 120.475 120.400 0.276 0.000 2.074 1354 K HA -0.287 4.033 4.320 -0.000 0.000 0.209 1354 K C 2.143 178.775 176.600 0.054 0.000 1.048 1354 K CA 1.933 58.311 56.287 0.151 0.000 0.926 1354 K CB -0.293 32.301 32.500 0.156 0.000 0.713 1354 K HN 0.232 nan 8.250 nan 0.000 0.444 1355 E N 0.040 120.289 120.200 0.082 0.000 2.047 1355 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 1355 E C 1.663 178.310 176.600 0.077 0.000 0.987 1355 E CA 1.138 57.581 56.400 0.071 0.000 0.799 1355 E CB -0.406 29.345 29.700 0.085 0.000 0.752 1355 E HN 0.338 nan 8.360 nan 0.000 0.449 1356 F N 0.294 120.192 119.950 -0.086 0.000 2.095 1356 F HA -0.193 4.334 4.527 -0.000 0.000 0.298 1356 F C 2.056 177.777 175.800 -0.133 0.000 1.104 1356 F CA 1.337 59.270 58.000 -0.111 0.000 1.232 1356 F CB -0.566 38.352 39.000 -0.137 0.000 0.987 1356 F HN -0.062 nan 8.300 nan 0.000 0.475 1357 V N 0.406 120.180 119.914 -0.234 0.000 2.490 1357 V HA -0.289 3.831 4.120 -0.000 0.000 0.250 1357 V C 2.328 178.362 176.094 -0.101 0.000 1.061 1357 V CA 2.030 64.175 62.300 -0.259 0.000 1.064 1357 V CB -0.695 30.927 31.823 -0.336 0.000 0.670 1357 V HN 0.292 nan 8.190 nan 0.000 0.461 1358 K N -0.249 120.110 120.400 -0.069 0.000 2.103 1358 K HA -0.082 4.237 4.320 -0.000 0.000 0.204 1358 K C 2.415 178.986 176.600 -0.047 0.000 1.052 1358 K CA 1.051 57.327 56.287 -0.018 0.000 0.945 1358 K CB -0.193 32.308 32.500 0.002 0.000 0.722 1358 K HN 0.375 nan 8.250 nan 0.000 0.443 1359 R N 0.770 121.209 120.500 -0.101 0.000 2.092 1359 R HA -0.050 4.290 4.340 -0.000 0.000 0.231 1359 R C 2.320 178.490 176.300 -0.216 0.000 1.119 1359 R CA 1.033 57.054 56.100 -0.132 0.000 0.970 1359 R CB -0.334 29.896 30.300 -0.117 0.000 0.864 1359 R HN 0.162 nan 8.270 nan 0.000 0.440 1360 L N 0.486 121.511 121.223 -0.330 0.000 2.093 1360 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 1360 L C 2.915 179.564 176.870 -0.367 0.000 1.085 1360 L CA 1.758 56.345 54.840 -0.421 0.000 0.755 1360 L CB -0.711 41.058 42.059 -0.484 0.000 0.904 1360 L HN 0.369 nan 8.230 nan 0.000 0.435 1361 E N 0.117 120.274 120.200 -0.072 0.000 2.347 1361 E HA -0.153 4.197 4.350 -0.000 0.000 0.196 1361 E C 1.945 178.537 176.600 -0.014 0.000 1.008 1361 E CA 0.979 57.420 56.400 0.068 0.000 0.852 1361 E CB -0.695 29.154 29.700 0.249 0.000 0.783 1361 E HN 0.531 nan 8.360 nan 0.000 0.505 1362 M N 1.126 120.689 119.600 -0.062 0.000 2.549 1362 M HA -0.014 4.466 4.480 -0.000 0.000 0.260 1362 M C 0.876 177.134 176.300 -0.070 0.000 1.076 1362 M CA 0.453 55.725 55.300 -0.047 0.000 1.090 1362 M CB -0.094 32.476 32.600 -0.050 0.000 1.418 1362 M HN 0.176 nan 8.290 nan 0.000 0.486 1363 D N 2.205 122.526 120.400 -0.131 0.000 2.472 1363 D HA -0.021 4.619 4.640 -0.000 0.000 0.248 1363 D C -1.532 174.725 176.300 -0.072 0.000 1.174 1363 D CA -1.183 52.736 54.000 -0.135 0.000 0.883 1363 D CB 1.035 41.697 40.800 -0.230 0.000 1.149 1363 D HN 0.084 nan 8.370 nan 0.000 0.488 1364 P HA -0.173 nan 4.420 nan 0.000 0.220 1364 P C 0.926 178.232 177.300 0.010 0.000 1.144 1364 P CA 0.964 64.058 63.100 -0.009 0.000 0.800 1364 P CB 0.235 31.928 31.700 -0.012 0.000 0.772 1365 R N -0.922 119.570 120.500 -0.013 0.000 2.237 1365 R HA -0.021 4.319 4.340 -0.000 0.000 0.219 1365 R C 2.296 178.649 176.300 0.089 0.000 1.080 1365 R CA 0.969 57.077 56.100 0.014 0.000 0.995 1365 R CB -1.036 29.243 30.300 -0.034 0.000 0.875 1365 R HN 0.240 nan 8.270 nan 0.000 0.462 1366 C N 0.719 120.076 119.300 0.095 0.000 2.456 1366 C HA 0.088 4.548 4.460 -0.000 0.000 0.279 1366 C C 0.445 175.624 174.990 0.315 0.000 1.427 1366 C CA -0.158 59.042 59.018 0.304 0.000 1.778 1366 C CB -0.408 27.483 27.740 0.251 0.000 1.842 1366 C HN 0.469 nan 8.230 nan 0.000 0.531 1367 K N -0.364 120.134 120.400 0.163 0.000 3.069 1367 K HA -0.221 4.099 4.320 -0.000 0.000 0.267 1367 K C 0.965 177.624 176.600 0.098 0.000 1.082 1367 K CA 0.909 57.262 56.287 0.110 0.000 0.782 1367 K CB -2.093 30.468 32.500 0.101 0.000 1.230 1367 K HN 0.958 nan 8.250 nan 0.000 0.488 1368 G N -0.988 107.879 108.800 0.111 0.000 2.179 1368 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.260 1368 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.260 1368 G C 0.123 175.087 174.900 0.107 0.000 0.977 1368 G CA 0.623 45.777 45.100 0.091 0.000 0.641 1368 G HN 0.195 nan 8.290 nan 0.000 0.533 1369 M N 1.371 121.068 119.600 0.163 0.000 2.318 1369 M HA 0.445 4.925 4.480 -0.000 0.000 0.347 1369 M C -1.876 174.605 176.300 0.301 0.000 1.175 1369 M CA -2.746 52.632 55.300 0.129 0.000 1.075 1369 M CB 0.847 33.392 32.600 -0.091 0.000 1.614 1369 M HN 0.062 nan 8.290 nan 0.000 0.456 1370 P HA 0.162 nan 4.420 nan 0.000 0.278 1370 P C 0.741 178.137 177.300 0.160 0.000 1.266 1370 P CA -0.595 62.611 63.100 0.176 0.000 0.807 1370 P CB 1.041 32.782 31.700 0.069 0.000 1.094 1371 L N 2.060 123.155 121.223 -0.213 0.000 2.013 1371 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 1371 L C 2.419 179.185 176.870 -0.173 0.000 1.073 1371 L CA 2.989 57.452 54.840 -0.629 0.000 0.753 1371 L CB -1.922 39.514 42.059 -1.038 0.000 0.890 1371 L HN 0.525 nan 8.230 nan 0.000 0.432 1372 S N -1.223 114.413 115.700 -0.107 0.000 2.420 1372 S HA -0.211 4.259 4.470 -0.000 0.000 0.237 1372 S C 2.008 176.624 174.600 0.026 0.000 1.023 1372 S CA 1.375 59.553 58.200 -0.035 0.000 0.991 1372 S CB -1.217 61.970 63.200 -0.023 0.000 0.792 1372 S HN 0.752 nan 8.310 nan 0.000 0.488 1373 S N 0.649 116.370 115.700 0.035 0.000 2.425 1373 S HA 0.136 4.606 4.470 -0.000 0.000 0.225 1373 S C 1.498 176.101 174.600 0.004 0.000 1.024 1373 S CA 0.233 58.424 58.200 -0.014 0.000 0.951 1373 S CB -0.926 62.211 63.200 -0.106 0.000 0.796 1373 S HN 0.472 nan 8.310 nan 0.000 0.498 1374 F N 1.911 121.901 119.950 0.067 0.000 2.259 1374 F HA 0.198 4.725 4.527 -0.000 0.000 0.298 1374 F C 2.142 178.128 175.800 0.309 0.000 1.088 1374 F CA 0.347 58.453 58.000 0.177 0.000 1.358 1374 F CB -0.338 38.757 39.000 0.158 0.000 1.040 1374 F HN 0.165 nan 8.300 nan 0.000 0.505 1375 I N 0.104 120.908 120.570 0.391 0.000 2.530 1375 I HA -0.262 3.908 4.170 -0.000 0.000 0.257 1375 I C 2.120 178.536 176.117 0.499 0.000 1.179 1375 I CA 1.427 63.016 61.300 0.482 0.000 1.440 1375 I CB -1.138 37.002 38.000 0.233 0.000 1.087 1375 I HN 0.234 nan 8.210 nan 0.000 0.440 1376 L N -0.051 121.358 121.223 0.310 0.000 2.395 1376 L HA -0.109 4.231 4.340 -0.000 0.000 0.218 1376 L C 2.320 179.324 176.870 0.224 0.000 1.130 1376 L CA 0.541 55.521 54.840 0.233 0.000 0.826 1376 L CB -0.373 41.756 42.059 0.117 0.000 0.941 1376 L HN 0.192 nan 8.230 nan 0.000 0.451 1377 K N 0.273 120.833 120.400 0.267 0.000 2.103 1377 K HA -0.168 4.152 4.320 -0.000 0.000 0.207 1377 K C -0.514 176.219 176.600 0.222 0.000 1.048 1377 K CA 1.299 57.733 56.287 0.246 0.000 0.930 1377 K CB -0.938 31.791 32.500 0.383 0.000 0.716 1377 K HN 0.277 nan 8.250 nan 0.000 0.444 1378 P HA -0.182 nan 4.420 nan 0.000 0.215 1378 P C 1.428 178.885 177.300 0.262 0.000 1.157 1378 P CA 1.025 64.267 63.100 0.237 0.000 0.863 1378 P CB 0.018 31.600 31.700 -0.197 0.000 0.787 1379 M N -0.234 119.514 119.600 0.247 0.000 2.117 1379 M HA -0.211 4.269 4.480 -0.000 0.000 0.262 1379 M C 1.767 178.080 176.300 0.022 0.000 1.065 1379 M CA 1.999 57.396 55.300 0.162 0.000 1.114 1379 M CB -1.101 31.596 32.600 0.163 0.000 1.361 1379 M HN -0.017 nan 8.290 nan 0.000 0.408 1380 Q N -0.582 119.216 119.800 -0.003 0.000 2.124 1380 Q HA -0.212 4.127 4.340 -0.000 0.000 0.202 1380 Q C 2.137 177.997 176.000 -0.234 0.000 0.977 1380 Q CA 1.611 57.361 55.803 -0.089 0.000 0.850 1380 Q CB -0.265 28.436 28.738 -0.062 0.000 0.901 1380 Q HN 0.385 nan 8.270 nan 0.000 0.429 1381 R N 0.820 121.108 120.500 -0.353 0.000 2.073 1381 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 1381 R C 2.186 178.055 176.300 -0.719 0.000 1.134 1381 R CA 1.715 57.390 56.100 -0.709 0.000 0.952 1381 R CB -0.750 28.870 30.300 -1.133 0.000 0.850 1381 R HN 0.290 nan 8.270 nan 0.000 0.433 1382 V N -1.502 118.143 119.914 -0.450 0.000 2.343 1382 V HA -0.172 3.948 4.120 -0.000 0.000 0.247 1382 V C 1.973 177.964 176.094 -0.172 0.000 1.051 1382 V CA 2.192 64.319 62.300 -0.290 0.000 1.036 1382 V CB -1.801 29.878 31.823 -0.241 0.000 0.654 1382 V HN 0.522 nan 8.190 nan 0.000 0.451 1383 T N -2.164 112.296 114.554 -0.157 0.000 3.113 1383 T HA 0.014 4.364 4.350 -0.000 0.000 0.263 1383 T C 1.812 176.434 174.700 -0.131 0.000 1.143 1383 T CA 1.091 63.127 62.100 -0.105 0.000 1.090 1383 T CB -0.325 68.500 68.868 -0.071 0.000 0.922 1383 T HN 0.544 nan 8.240 nan 0.000 0.521 1384 R N -1.199 119.163 120.500 -0.230 0.000 2.254 1384 R HA 0.299 4.639 4.340 -0.000 0.000 0.193 1384 R C 1.725 177.912 176.300 -0.189 0.000 0.929 1384 R CA 0.070 56.034 56.100 -0.225 0.000 1.038 1384 R CB -0.141 29.987 30.300 -0.287 0.000 1.009 1384 R HN 0.436 nan 8.270 nan 0.000 0.512 1385 Y N 1.214 121.428 120.300 -0.144 0.000 2.114 1385 Y HA -0.188 4.362 4.550 -0.000 0.000 0.282 1385 Y C -0.659 175.176 175.900 -0.107 0.000 1.165 1385 Y CA 1.139 59.162 58.100 -0.129 0.000 1.148 1385 Y CB -1.012 37.359 38.460 -0.148 0.000 0.972 1385 Y HN 0.086 nan 8.280 nan 0.000 0.504 1386 P HA -0.209 nan 4.420 nan 0.000 0.215 1386 P C 1.396 178.674 177.300 -0.037 0.000 1.153 1386 P CA 1.595 64.694 63.100 -0.003 0.000 0.853 1386 P CB -0.090 31.599 31.700 -0.018 0.000 0.788 1387 L N -1.383 119.810 121.223 -0.051 0.000 1.994 1387 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 1387 L C 2.478 179.287 176.870 -0.103 0.000 1.071 1387 L CA 1.570 56.364 54.840 -0.077 0.000 0.745 1387 L CB -0.966 41.050 42.059 -0.071 0.000 0.892 1387 L HN -0.065 nan 8.230 nan 0.000 0.431 1388 I N -0.074 120.459 120.570 -0.062 0.000 2.179 1388 I HA -0.309 3.861 4.170 -0.000 0.000 0.242 1388 I C 2.474 178.541 176.117 -0.084 0.000 1.088 1388 I CA 1.547 62.818 61.300 -0.049 0.000 1.357 1388 I CB -0.263 37.758 38.000 0.036 0.000 1.051 1388 I HN 0.187 nan 8.210 nan 0.000 0.409 1389 I N 0.658 121.201 120.570 -0.044 0.000 2.226 1389 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 1389 I C 2.648 178.696 176.117 -0.115 0.000 1.100 1389 I CA 1.357 62.620 61.300 -0.062 0.000 1.374 1389 I CB -0.411 37.565 38.000 -0.041 0.000 1.057 1389 I HN 0.199 nan 8.210 nan 0.000 0.413 1390 K N 1.059 121.384 120.400 -0.125 0.000 2.032 1390 K HA -0.199 4.121 4.320 -0.000 0.000 0.209 1390 K C 1.952 178.420 176.600 -0.220 0.000 1.048 1390 K CA 1.591 57.791 56.287 -0.144 0.000 0.927 1390 K CB -0.018 32.410 32.500 -0.120 0.000 0.712 1390 K HN 0.271 nan 8.250 nan 0.000 0.441 1391 N N 0.821 119.307 118.700 -0.357 0.000 2.244 1391 N HA -0.126 4.614 4.740 -0.000 0.000 0.183 1391 N C 1.850 177.047 175.510 -0.521 0.000 1.016 1391 N CA 1.139 53.788 53.050 -0.669 0.000 0.866 1391 N CB -0.110 37.498 38.487 -1.465 0.000 0.980 1391 N HN 0.274 nan 8.380 nan 0.000 0.430 1392 I N 0.450 120.840 120.570 -0.300 0.000 2.202 1392 I HA -0.215 3.954 4.170 -0.000 0.000 0.242 1392 I C 2.229 178.284 176.117 -0.103 0.000 1.091 1392 I CA 0.501 61.740 61.300 -0.101 0.000 1.368 1392 I CB -0.161 37.817 38.000 -0.037 0.000 1.058 1392 I HN 0.043 nan 8.210 nan 0.000 0.410 1393 L N 1.149 122.292 121.223 -0.133 0.000 2.012 1393 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 1393 L C 2.354 179.173 176.870 -0.085 0.000 1.073 1393 L CA 1.918 56.673 54.840 -0.140 0.000 0.748 1393 L CB -0.764 41.192 42.059 -0.173 0.000 0.891 1393 L HN 0.220 nan 8.230 nan 0.000 0.431 1394 E N -0.509 119.639 120.200 -0.086 0.000 2.331 1394 E HA -0.165 4.185 4.350 -0.000 0.000 0.199 1394 E C 0.647 177.242 176.600 -0.009 0.000 1.008 1394 E CA 0.921 57.296 56.400 -0.042 0.000 0.843 1394 E CB -0.256 29.403 29.700 -0.067 0.000 0.761 1394 E HN 0.645 nan 8.360 nan 0.000 0.507 1395 N N 0.619 119.312 118.700 -0.011 0.000 2.234 1395 N HA 0.048 4.788 4.740 -0.000 0.000 0.227 1395 N C -0.705 174.794 175.510 -0.018 0.000 1.151 1395 N CA 0.208 53.268 53.050 0.017 0.000 0.865 1395 N CB 1.398 39.929 38.487 0.073 0.000 1.066 1395 N HN -0.108 nan 8.380 nan 0.000 0.515 1396 T N 3.072 117.610 114.554 -0.028 0.000 2.833 1396 T HA 0.312 4.662 4.350 -0.000 0.000 0.297 1396 T C -2.480 172.272 174.700 0.087 0.000 1.015 1396 T CA -1.219 60.834 62.100 -0.078 0.000 0.963 1396 T CB 2.643 71.424 68.868 -0.145 0.000 0.955 1396 T HN 0.032 nan 8.240 nan 0.000 0.449 1397 P HA 0.168 nan 4.420 nan 0.000 0.270 1397 P C 0.923 178.201 177.300 -0.037 0.000 1.223 1397 P CA -0.253 62.876 63.100 0.048 0.000 0.785 1397 P CB 1.080 32.810 31.700 0.051 0.000 0.923 1398 E N 1.745 121.779 120.200 -0.276 0.000 2.147 1398 E HA -0.203 4.147 4.350 -0.000 0.000 0.199 1398 E C 1.261 177.680 176.600 -0.302 0.000 1.005 1398 E CA 1.544 57.592 56.400 -0.586 0.000 0.810 1398 E CB -0.369 29.124 29.700 -0.345 0.000 0.736 1398 E HN 0.600 nan 8.360 nan 0.000 0.460 1399 N N 0.075 118.714 118.700 -0.102 0.000 2.280 1399 N HA -0.090 4.650 4.740 -0.000 0.000 0.192 1399 N C 0.380 175.910 175.510 0.034 0.000 1.109 1399 N CA -0.066 52.963 53.050 -0.035 0.000 0.855 1399 N CB -0.432 38.035 38.487 -0.033 0.000 0.974 1399 N HN 0.183 nan 8.380 nan 0.000 0.482 1400 H N 3.172 122.241 119.070 -0.002 0.000 2.815 1400 H HA 0.102 4.657 4.556 -0.000 0.000 0.350 1400 H C -1.144 174.218 175.328 0.057 0.000 1.080 1400 H CA -0.775 55.296 56.048 0.038 0.000 1.433 1400 H CB 1.270 31.073 29.762 0.068 0.000 1.432 1400 H HN -0.069 nan 8.280 nan 0.000 0.592 1401 P HA -0.134 nan 4.420 nan 0.000 0.231 1401 P C 0.289 177.715 177.300 0.211 0.000 1.158 1401 P CA 1.081 64.189 63.100 0.014 0.000 0.763 1401 P CB 0.433 32.086 31.700 -0.079 0.000 0.805 1402 D N -2.088 118.595 120.400 0.471 0.000 2.379 1402 D HA -0.040 4.599 4.640 -0.000 0.000 0.208 1402 D C 1.688 178.106 176.300 0.197 0.000 1.065 1402 D CA 0.046 54.262 54.000 0.361 0.000 0.848 1402 D CB -0.354 40.646 40.800 0.334 0.000 0.949 1402 D HN 0.114 nan 8.370 nan 0.000 0.509 1403 H N -0.511 118.625 119.070 0.110 0.000 2.290 1403 H HA -0.045 4.511 4.556 -0.000 0.000 0.298 1403 H C 1.961 177.224 175.328 -0.108 0.000 1.087 1403 H CA 2.335 58.379 56.048 -0.007 0.000 1.291 1403 H CB 0.177 29.939 29.762 0.001 0.000 1.369 1403 H HN -0.067 nan 8.280 nan 0.000 0.492 1404 S N -0.523 115.119 115.700 -0.096 0.000 2.356 1404 S HA -0.176 4.294 4.470 -0.000 0.000 0.223 1404 S C 1.940 176.165 174.600 -0.625 0.000 1.032 1404 S CA 1.125 59.084 58.200 -0.402 0.000 1.005 1404 S CB -0.305 62.641 63.200 -0.423 0.000 0.867 1404 S HN 0.575 nan 8.310 nan 0.000 0.449 1405 H N 1.090 120.009 119.070 -0.252 0.000 2.352 1405 H HA 0.003 4.559 4.556 -0.000 0.000 0.299 1405 H C 2.117 177.364 175.328 -0.134 0.000 1.097 1405 H CA 1.160 57.123 56.048 -0.142 0.000 1.311 1405 H CB -0.508 29.233 29.762 -0.035 0.000 1.377 1405 H HN 0.320 nan 8.280 nan 0.000 0.504 1406 L N 0.480 121.668 121.223 -0.058 0.000 2.093 1406 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 1406 L C 2.603 179.383 176.870 -0.150 0.000 1.085 1406 L CA 0.941 55.718 54.840 -0.104 0.000 0.755 1406 L CB -0.203 41.767 42.059 -0.148 0.000 0.904 1406 L HN 0.126 nan 8.230 nan 0.000 0.435 1407 K N -0.609 119.638 120.400 -0.256 0.000 2.057 1407 K HA -0.181 4.139 4.320 -0.000 0.000 0.207 1407 K C 2.010 178.598 176.600 -0.020 0.000 1.049 1407 K CA 1.562 57.738 56.287 -0.186 0.000 0.931 1407 K CB -0.277 32.089 32.500 -0.222 0.000 0.714 1407 K HN 0.512 nan 8.250 nan 0.000 0.440 1408 H N -0.207 118.825 119.070 -0.063 0.000 2.326 1408 H HA -0.071 4.485 4.556 -0.000 0.000 0.301 1408 H C 2.199 177.501 175.328 -0.043 0.000 1.081 1408 H CA 0.694 56.718 56.048 -0.041 0.000 1.334 1408 H CB 0.044 29.796 29.762 -0.018 0.000 1.385 1408 H HN 0.259 nan 8.280 nan 0.000 0.504 1409 A N 1.382 124.256 122.820 0.089 0.000 1.908 1409 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 1409 A C 2.389 179.958 177.584 -0.025 0.000 1.181 1409 A CA 1.101 53.141 52.037 0.005 0.000 0.627 1409 A CB -0.843 18.144 19.000 -0.023 0.000 0.818 1409 A HN 0.375 nan 8.150 nan 0.000 0.445 1410 L N -0.513 120.693 121.223 -0.029 0.000 2.013 1410 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 1410 L C 2.628 179.483 176.870 -0.024 0.000 1.073 1410 L CA 2.274 57.091 54.840 -0.037 0.000 0.753 1410 L CB -0.504 41.524 42.059 -0.052 0.000 0.890 1410 L HN 0.554 nan 8.230 nan 0.000 0.432 1411 E N -0.537 119.659 120.200 -0.008 0.000 2.051 1411 E HA -0.232 4.117 4.350 -0.000 0.000 0.192 1411 E C 2.141 178.728 176.600 -0.021 0.000 0.991 1411 E CA 1.090 57.485 56.400 -0.008 0.000 0.799 1411 E CB 0.072 29.777 29.700 0.008 0.000 0.748 1411 E HN 0.405 nan 8.360 nan 0.000 0.449 1412 K N 0.597 120.981 120.400 -0.027 0.000 2.026 1412 K HA -0.119 4.201 4.320 -0.000 0.000 0.208 1412 K C 2.178 178.747 176.600 -0.051 0.000 1.048 1412 K CA 1.189 57.448 56.287 -0.047 0.000 0.929 1412 K CB -0.516 31.946 32.500 -0.064 0.000 0.713 1412 K HN 0.093 nan 8.250 nan 0.000 0.439 1413 A N 1.915 124.702 122.820 -0.055 0.000 1.940 1413 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 1413 A C 2.111 179.681 177.584 -0.024 0.000 1.176 1413 A CA 1.663 53.673 52.037 -0.045 0.000 0.631 1413 A CB -0.394 18.590 19.000 -0.027 0.000 0.814 1413 A HN 0.431 nan 8.150 nan 0.000 0.446 1414 E N -0.334 119.852 120.200 -0.023 0.000 2.072 1414 E HA -0.168 4.182 4.350 -0.000 0.000 0.190 1414 E C 1.997 178.587 176.600 -0.016 0.000 0.982 1414 E CA 1.182 57.571 56.400 -0.018 0.000 0.803 1414 E CB -0.200 29.488 29.700 -0.019 0.000 0.755 1414 E HN 0.731 nan 8.360 nan 0.000 0.453 1415 E N 1.068 121.257 120.200 -0.019 0.000 2.118 1415 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 1415 E C 2.250 178.844 176.600 -0.010 0.000 0.992 1415 E CA 0.587 56.978 56.400 -0.015 0.000 0.804 1415 E CB -0.098 29.590 29.700 -0.019 0.000 0.741 1415 E HN 0.225 nan 8.360 nan 0.000 0.458 1416 L N 0.681 121.894 121.223 -0.016 0.000 1.989 1416 L HA -0.235 4.105 4.340 -0.000 0.000 0.211 1416 L C 2.394 179.266 176.870 0.002 0.000 1.071 1416 L CA 1.369 56.204 54.840 -0.009 0.000 0.749 1416 L CB -0.289 41.752 42.059 -0.031 0.000 0.890 1416 L HN 0.343 nan 8.230 nan 0.000 0.431 1417 C N -1.102 118.194 119.300 -0.006 0.000 2.413 1417 C HA -0.179 4.281 4.460 -0.000 0.000 0.276 1417 C C 3.285 178.279 174.990 0.007 0.000 1.248 1417 C CA 1.335 60.352 59.018 -0.001 0.000 1.742 1417 C CB -0.798 26.936 27.740 -0.011 0.000 2.017 1417 C HN 0.654 nan 8.230 nan 0.000 0.481 1418 S N -0.138 115.563 115.700 0.002 0.000 2.368 1418 S HA -0.211 4.259 4.470 -0.000 0.000 0.225 1418 S C 1.913 176.519 174.600 0.011 0.000 1.030 1418 S CA 1.577 59.779 58.200 0.003 0.000 0.999 1418 S CB -0.274 62.925 63.200 -0.002 0.000 0.844 1418 S HN 0.730 nan 8.310 nan 0.000 0.459 1419 Q N -0.038 119.772 119.800 0.016 0.000 2.167 1419 Q HA -0.035 4.305 4.340 -0.000 0.000 0.202 1419 Q C 2.244 178.268 176.000 0.040 0.000 0.970 1419 Q CA 1.513 57.332 55.803 0.026 0.000 0.855 1419 Q CB -0.180 28.575 28.738 0.030 0.000 0.911 1419 Q HN 0.457 nan 8.270 nan 0.000 0.438 1420 V N 1.422 121.366 119.914 0.050 0.000 2.453 1420 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 1420 V C 2.021 178.145 176.094 0.049 0.000 1.048 1420 V CA 1.653 63.996 62.300 0.072 0.000 1.049 1420 V CB -0.703 31.178 31.823 0.098 0.000 0.672 1420 V HN 0.477 nan 8.190 nan 0.000 0.457 1421 N N 0.012 118.731 118.700 0.031 0.000 2.084 1421 N HA -0.203 4.537 4.740 -0.000 0.000 0.190 1421 N C 1.836 177.354 175.510 0.013 0.000 1.030 1421 N CA 1.331 54.392 53.050 0.018 0.000 0.849 1421 N CB 0.111 38.602 38.487 0.008 0.000 1.012 1421 N HN 0.401 nan 8.380 nan 0.000 0.423 1422 E N 0.260 120.468 120.200 0.014 0.000 2.106 1422 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 1422 E C 1.917 178.525 176.600 0.014 0.000 0.984 1422 E CA 0.781 57.188 56.400 0.011 0.000 0.806 1422 E CB -0.752 28.955 29.700 0.011 0.000 0.750 1422 E HN 0.500 nan 8.360 nan 0.000 0.458 1423 G N 0.945 109.759 108.800 0.024 0.000 2.422 1423 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.218 1423 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.218 1423 G C 1.827 176.736 174.900 0.014 0.000 1.146 1423 G CA 0.904 46.019 45.100 0.025 0.000 0.769 1423 G HN 0.199 nan 8.290 nan 0.000 0.547 1424 V N 0.602 120.523 119.914 0.011 0.000 2.307 1424 V HA -0.139 3.981 4.120 -0.000 0.000 0.245 1424 V C 2.766 178.851 176.094 -0.015 0.000 1.045 1424 V CA 2.109 64.406 62.300 -0.005 0.000 1.024 1424 V CB -0.453 31.368 31.823 -0.004 0.000 0.651 1424 V HN 0.443 nan 8.190 nan 0.000 0.449 1425 R N 0.381 120.876 120.500 -0.010 0.000 2.083 1425 R HA -0.219 4.121 4.340 -0.000 0.000 0.237 1425 R C 2.247 178.543 176.300 -0.007 0.000 1.137 1425 R CA 2.206 58.298 56.100 -0.013 0.000 0.951 1425 R CB -0.280 30.015 30.300 -0.008 0.000 0.851 1425 R HN 0.621 nan 8.270 nan 0.000 0.434 1426 E N -0.004 120.197 120.200 0.003 0.000 2.153 1426 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 1426 E C 1.917 178.521 176.600 0.007 0.000 0.988 1426 E CA 1.246 57.652 56.400 0.011 0.000 0.811 1426 E CB 0.021 29.730 29.700 0.016 0.000 0.746 1426 E HN 0.147 nan 8.360 nan 0.000 0.466 1427 K N 1.421 121.819 120.400 -0.003 0.000 2.103 1427 K HA -0.110 4.210 4.320 -0.000 0.000 0.204 1427 K C 1.668 178.251 176.600 -0.028 0.000 1.052 1427 K CA 1.171 57.451 56.287 -0.011 0.000 0.945 1427 K CB 0.132 32.621 32.500 -0.018 0.000 0.722 1427 K HN 0.072 nan 8.250 nan 0.000 0.443 1428 E N 0.266 120.439 120.200 -0.044 0.000 2.051 1428 E HA -0.216 4.134 4.350 -0.000 0.000 0.192 1428 E C 1.841 178.391 176.600 -0.083 0.000 0.991 1428 E CA 1.187 57.537 56.400 -0.084 0.000 0.799 1428 E CB -0.308 29.337 29.700 -0.093 0.000 0.748 1428 E HN 0.405 nan 8.360 nan 0.000 0.449 1429 N N 0.716 119.399 118.700 -0.028 0.000 2.104 1429 N HA -0.184 4.556 4.740 -0.000 0.000 0.190 1429 N C 1.947 177.478 175.510 0.034 0.000 1.024 1429 N CA 1.420 54.485 53.050 0.025 0.000 0.853 1429 N CB -0.046 38.480 38.487 0.065 0.000 1.008 1429 N HN -0.008 nan 8.380 nan 0.000 0.424 1430 S N 0.429 116.143 115.700 0.025 0.000 2.382 1430 S HA -0.106 4.364 4.470 -0.000 0.000 0.228 1430 S C 1.195 175.814 174.600 0.032 0.000 1.027 1430 S CA 1.289 59.512 58.200 0.037 0.000 0.991 1430 S CB -0.247 62.970 63.200 0.028 0.000 0.823 1430 S HN 0.340 nan 8.310 nan 0.000 0.469 1431 D N 0.843 121.242 120.400 -0.002 0.000 2.149 1431 D HA 0.016 4.655 4.640 -0.000 0.000 0.201 1431 D C 2.286 178.594 176.300 0.014 0.000 0.972 1431 D CA 0.764 54.767 54.000 0.005 0.000 0.835 1431 D CB -0.261 40.518 40.800 -0.035 0.000 0.966 1431 D HN 0.401 nan 8.370 nan 0.000 0.476 1432 R N -0.088 120.347 120.500 -0.108 0.000 2.081 1432 R HA -0.066 4.274 4.340 -0.000 0.000 0.235 1432 R C 2.001 178.361 176.300 0.099 0.000 1.131 1432 R CA 0.547 56.528 56.100 -0.198 0.000 0.960 1432 R CB -0.262 29.695 30.300 -0.571 0.000 0.856 1432 R HN 0.124 nan 8.270 nan 0.000 0.436 1433 L N 1.274 122.555 121.223 0.095 0.000 2.083 1433 L HA -0.140 4.199 4.340 -0.000 0.000 0.209 1433 L C 2.223 179.156 176.870 0.106 0.000 1.083 1433 L CA 1.684 56.609 54.840 0.142 0.000 0.752 1433 L CB -0.605 41.554 42.059 0.167 0.000 0.899 1433 L HN 0.106 nan 8.230 nan 0.000 0.433 1434 E N -1.942 118.328 120.200 0.116 0.000 2.106 1434 E HA -0.252 4.098 4.350 -0.000 0.000 0.192 1434 E C 1.970 178.636 176.600 0.111 0.000 0.984 1434 E CA 0.880 57.335 56.400 0.093 0.000 0.806 1434 E CB -0.329 29.421 29.700 0.084 0.000 0.750 1434 E HN 0.570 nan 8.360 nan 0.000 0.458 1435 W N 1.720 123.040 121.300 0.033 0.000 2.352 1435 W HA -0.160 4.500 4.660 -0.000 0.000 0.322 1435 W C 2.144 178.708 176.519 0.075 0.000 1.208 1435 W CA 1.715 59.139 57.345 0.132 0.000 1.286 1435 W CB -0.541 29.061 29.460 0.237 0.000 1.167 1435 W HN -0.084 nan 8.180 nan 0.000 0.469 1436 I N 0.549 121.282 120.570 0.272 0.000 2.185 1436 I HA -0.395 3.775 4.170 -0.000 0.000 0.246 1436 I C 2.400 178.195 176.117 -0.538 0.000 1.088 1436 I CA 1.991 63.161 61.300 -0.216 0.000 1.347 1436 I CB -0.949 36.781 38.000 -0.449 0.000 1.041 1436 I HN 0.142 nan 8.210 nan 0.000 0.415 1437 Q N 1.306 120.867 119.800 -0.399 0.000 2.368 1437 Q HA -0.134 4.206 4.340 -0.000 0.000 0.210 1437 Q C 1.550 177.430 176.000 -0.201 0.000 0.982 1437 Q CA 1.824 57.507 55.803 -0.200 0.000 0.884 1437 Q CB -0.088 28.672 28.738 0.037 0.000 0.933 1437 Q HN 0.544 nan 8.270 nan 0.000 0.460 1438 A N -1.648 120.948 122.820 -0.373 0.000 2.503 1438 A HA 0.182 4.502 4.320 -0.000 0.000 0.263 1438 A C 0.359 177.406 177.584 -0.896 0.000 1.258 1438 A CA -0.226 51.480 52.037 -0.552 0.000 0.936 1438 A CB 0.091 18.729 19.000 -0.603 0.000 1.070 1438 A HN 0.442 nan 8.150 nan 0.000 0.522 1439 H N -1.542 117.247 119.070 -0.469 0.000 3.398 1439 H HA 0.266 4.821 4.556 -0.000 0.000 0.260 1439 H C -0.746 174.427 175.328 -0.260 0.000 1.189 1439 H CA 0.217 55.977 56.048 -0.481 0.000 1.145 1439 H CB 1.016 30.204 29.762 -0.956 0.000 1.599 1439 H HN 0.157 nan 8.280 nan 0.000 0.615 1440 V N 2.153 121.988 119.914 -0.132 0.000 2.448 1440 V HA 0.162 4.282 4.120 -0.000 0.000 0.295 1440 V C 0.266 176.418 176.094 0.096 0.000 1.025 1440 V CA -0.667 61.631 62.300 -0.004 0.000 0.859 1440 V CB 2.646 34.421 31.823 -0.081 0.000 0.988 1440 V HN 0.188 nan 8.190 nan 0.000 0.431 1441 Q N 3.210 123.117 119.800 0.179 0.000 2.369 1441 Q HA 0.209 4.549 4.340 -0.000 0.000 0.247 1441 Q C -0.589 175.566 176.000 0.259 0.000 1.083 1441 Q CA -0.321 55.630 55.803 0.247 0.000 0.905 1441 Q CB 0.539 29.512 28.738 0.391 0.000 1.305 1441 Q HN 0.886 nan 8.270 nan 0.000 0.465 1442 C N 5.390 124.810 119.300 0.201 0.000 2.541 1442 C HA 0.243 4.703 4.460 -0.000 0.000 0.405 1442 C C -0.079 174.990 174.990 0.132 0.000 1.345 1442 C CA -0.854 58.253 59.018 0.149 0.000 1.677 1442 C CB -1.098 26.725 27.740 0.139 0.000 2.361 1442 C HN 0.682 nan 8.230 nan 0.000 0.583 1443 E N 1.214 121.539 120.200 0.209 0.000 2.529 1443 E HA 0.153 4.503 4.350 -0.000 0.000 0.259 1443 E C 0.993 177.665 176.600 0.119 0.000 0.966 1443 E CA 0.739 57.254 56.400 0.192 0.000 0.937 1443 E CB 0.444 30.338 29.700 0.324 0.000 0.923 1443 E HN 0.830 nan 8.360 nan 0.000 0.468 1444 G N 3.555 112.403 108.800 0.081 0.000 2.528 1444 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.231 1444 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.231 1444 G C 0.408 175.329 174.900 0.037 0.000 0.143 1444 G CA 0.280 45.412 45.100 0.052 0.000 1.122 1444 G HN 0.555 nan 8.290 nan 0.000 0.525 1445 L N 1.895 123.128 121.223 0.017 0.000 3.086 1445 L HA 0.177 4.517 4.340 -0.000 0.000 0.274 1445 L C 1.874 178.740 176.870 -0.006 0.000 1.184 1445 L CA 0.618 55.456 54.840 -0.002 0.000 1.002 1445 L CB 0.224 42.268 42.059 -0.025 0.000 1.383 1445 L HN 1.431 nan 8.230 nan 0.000 0.582 1446 S N -0.717 114.982 115.700 -0.000 0.000 3.382 1446 S HA -0.281 4.189 4.470 -0.000 0.000 0.293 1446 S C 0.489 175.083 174.600 -0.010 0.000 1.262 1446 S CA 1.792 59.990 58.200 -0.003 0.000 0.969 1446 S CB -1.661 61.536 63.200 -0.004 0.000 1.136 1446 S HN 0.714 nan 8.310 nan 0.000 0.635 1447 E N -0.154 120.038 120.200 -0.014 0.000 2.641 1447 E HA 0.210 4.560 4.350 -0.000 0.000 0.201 1447 E C -0.462 176.124 176.600 -0.024 0.000 0.921 1447 E CA -0.037 56.351 56.400 -0.020 0.000 1.551 1447 E CB 0.298 29.982 29.700 -0.027 0.000 1.640 1447 E HN 0.645 nan 8.360 nan 0.000 0.906 1448 Q N 1.263 121.049 119.800 -0.025 0.000 2.389 1448 Q HA -0.123 4.217 4.340 -0.000 0.000 0.320 1448 Q C -0.929 175.037 176.000 -0.057 0.000 1.284 1448 Q CA 0.113 55.902 55.803 -0.024 0.000 0.829 1448 Q CB -0.618 28.114 28.738 -0.009 0.000 0.948 1448 Q HN 0.331 nan 8.270 nan 0.000 0.310 1449 L N 3.219 124.382 121.223 -0.100 0.000 2.500 1449 L HA 0.154 4.494 4.340 -0.000 0.000 0.272 1449 L C 0.053 176.797 176.870 -0.211 0.000 1.149 1449 L CA -0.067 54.631 54.840 -0.237 0.000 0.897 1449 L CB 0.699 42.501 42.059 -0.429 0.000 1.178 1449 L HN 0.357 nan 8.230 nan 0.000 0.473 1450 V N 6.186 125.990 119.914 -0.184 0.000 2.257 1450 V HA 0.067 4.187 4.120 -0.000 0.000 0.269 1450 V C 0.661 176.701 176.094 -0.090 0.000 1.040 1450 V CA -0.335 61.931 62.300 -0.056 0.000 0.813 1450 V CB 0.673 32.487 31.823 -0.016 0.000 1.065 1450 V HN 0.639 nan 8.190 nan 0.000 0.457 1451 F N 1.477 121.398 119.950 -0.048 0.000 2.091 1451 F HA -0.166 4.361 4.527 -0.000 0.000 0.299 1451 F C 1.776 177.521 175.800 -0.091 0.000 1.103 1451 F CA 1.629 59.554 58.000 -0.125 0.000 1.228 1451 F CB -0.144 38.769 39.000 -0.145 0.000 0.984 1451 F HN 0.453 nan 8.300 nan 0.000 0.477 1452 N N 0.674 119.470 118.700 0.159 0.000 3.245 1452 N HA 0.117 4.857 4.740 -0.000 0.000 0.296 1452 N C -0.749 174.792 175.510 0.052 0.000 1.254 1452 N CA -0.118 52.989 53.050 0.094 0.000 1.190 1452 N CB -0.127 38.415 38.487 0.092 0.000 1.460 1452 N HN 0.236 nan 8.380 nan 0.000 0.538 1453 S N -1.095 114.623 115.700 0.029 0.000 2.776 1453 S HA 0.410 4.880 4.470 -0.000 0.000 0.292 1453 S C -0.424 174.183 174.600 0.012 0.000 1.187 1453 S CA -0.822 57.388 58.200 0.017 0.000 0.834 1453 S CB 1.255 64.459 63.200 0.008 0.000 1.199 1453 S HN -0.107 nan 8.310 nan 0.000 0.514 1454 V N 2.375 122.296 119.914 0.012 0.000 2.732 1454 V HA 0.496 4.616 4.120 -0.000 0.000 0.297 1454 V C 1.186 177.290 176.094 0.016 0.000 1.060 1454 V CA 0.020 62.327 62.300 0.011 0.000 1.038 1454 V CB 1.075 32.905 31.823 0.011 0.000 1.003 1454 V HN 1.141 nan 8.190 nan 0.000 0.481 1455 T N 0.059 114.620 114.554 0.012 0.000 2.824 1455 T HA 0.127 4.477 4.350 -0.000 0.000 0.277 1455 T C 1.204 175.922 174.700 0.030 0.000 0.975 1455 T CA -0.192 61.928 62.100 0.033 0.000 0.966 1455 T CB 0.581 69.447 68.868 -0.004 0.000 1.054 1455 T HN 0.618 nan 8.240 nan 0.000 0.533 1456 N N -0.192 118.544 118.700 0.061 0.000 2.094 1456 N HA -0.151 4.589 4.740 -0.000 0.000 0.191 1456 N C 1.202 176.727 175.510 0.026 0.000 1.023 1456 N CA 1.967 55.048 53.050 0.052 0.000 0.857 1456 N CB -0.389 38.151 38.487 0.088 0.000 1.013 1456 N HN 0.878 nan 8.380 nan 0.000 0.426 1457 C N -2.066 117.227 119.300 -0.012 0.000 3.823 1457 C HA 0.464 4.924 4.460 -0.000 0.000 0.312 1457 C C 1.041 175.996 174.990 -0.059 0.000 2.628 1457 C CA -0.751 58.260 59.018 -0.012 0.000 1.581 1457 C CB -1.023 26.743 27.740 0.043 0.000 3.295 1457 C HN 0.199 nan 8.230 nan 0.000 0.382 1458 L N 1.522 122.683 121.223 -0.104 0.000 2.858 1458 L HA 0.585 4.925 4.340 -0.000 0.000 0.251 1458 L C 1.429 178.268 176.870 -0.051 0.000 1.149 1458 L CA 0.802 55.577 54.840 -0.109 0.000 0.955 1458 L CB 0.285 42.219 42.059 -0.208 0.000 1.289 1458 L HN 0.774 nan 8.230 nan 0.000 0.542 1459 G N 0.576 109.358 108.800 -0.031 0.000 2.500 1459 G HA2 -0.155 3.804 3.960 -0.000 0.000 0.209 1459 G HA3 -0.155 3.804 3.960 -0.000 0.000 0.209 1459 G C -2.912 171.985 174.900 -0.005 0.000 1.283 1459 G CA -1.118 43.976 45.100 -0.011 0.000 0.960 1459 G HN -0.083 nan 8.290 nan 0.000 0.528 1460 P HA 0.312 nan 4.420 nan 0.000 0.269 1460 P C 0.224 177.534 177.300 0.017 0.000 1.209 1460 P CA -0.115 62.994 63.100 0.015 0.000 0.776 1460 P CB 0.449 32.163 31.700 0.023 0.000 0.876 1461 R N 2.684 123.195 120.500 0.017 0.000 2.590 1461 R HA 0.150 4.490 4.340 -0.000 0.000 0.274 1461 R C -0.228 176.124 176.300 0.087 0.000 1.061 1461 R CA 0.346 56.458 56.100 0.019 0.000 1.081 1461 R CB 0.209 30.481 30.300 -0.047 0.000 0.984 1461 R HN 0.389 nan 8.270 nan 0.000 0.448 1462 K N 3.322 123.799 120.400 0.130 0.000 2.324 1462 K HA 0.212 4.532 4.320 -0.000 0.000 0.253 1462 K C -1.240 175.553 176.600 0.320 0.000 0.932 1462 K CA -0.700 55.693 56.287 0.176 0.000 0.799 1462 K CB 1.312 33.862 32.500 0.083 0.000 1.154 1462 K HN 0.344 nan 8.250 nan 0.000 0.425 1463 F N 4.329 124.401 119.950 0.204 0.000 2.412 1463 F HA 0.218 4.745 4.527 -0.000 0.000 0.348 1463 F C 0.062 175.864 175.800 0.003 0.000 1.102 1463 F CA -0.130 57.974 58.000 0.173 0.000 1.196 1463 F CB 0.446 39.550 39.000 0.173 0.000 1.144 1463 F HN 0.491 nan 8.300 nan 0.000 0.541 1464 L N 3.957 124.671 121.223 -0.849 0.000 2.624 1464 L HA 0.240 4.580 4.340 -0.000 0.000 0.222 1464 L C -0.158 176.148 176.870 -0.941 0.000 1.046 1464 L CA -0.046 54.372 54.840 -0.703 0.000 0.872 1464 L CB 0.109 41.942 42.059 -0.376 0.000 1.190 1464 L HN 0.631 nan 8.230 nan 0.000 0.487 1465 H N -0.138 118.089 119.070 -1.404 0.000 2.969 1465 H HA 0.371 4.927 4.556 -0.000 0.000 0.304 1465 H C -1.817 173.055 175.328 -0.759 0.000 1.400 1465 H CA -0.152 55.252 56.048 -1.073 0.000 1.182 1465 H CB 1.950 31.089 29.762 -1.038 0.000 1.865 1465 H HN 0.002 nan 8.280 nan 0.000 0.512 1466 S N 0.681 116.046 115.700 -0.558 0.000 2.558 1466 S HA 0.560 5.030 4.470 -0.000 0.000 0.277 1466 S C -0.285 174.153 174.600 -0.271 0.000 1.143 1466 S CA -0.067 57.966 58.200 -0.279 0.000 0.865 1466 S CB 1.411 64.443 63.200 -0.281 0.000 1.102 1466 S HN 1.221 nan 8.310 nan 0.000 0.454 1467 G N 1.314 109.990 108.800 -0.207 0.000 5.005 1467 G HA2 0.381 4.341 3.960 -0.000 0.000 0.222 1467 G HA3 0.381 4.341 3.960 -0.000 0.000 0.222 1467 G C 0.090 174.980 174.900 -0.016 0.000 1.437 1467 G CA 0.118 45.237 45.100 0.032 0.000 0.894 1467 G HN 0.799 nan 8.290 nan 0.000 0.394 1468 K N -1.630 118.515 120.400 -0.425 0.000 3.589 1468 K HA -0.228 4.092 4.320 -0.000 0.000 0.169 1468 K C 0.329 176.662 176.600 -0.445 0.000 1.280 1468 K CA 0.851 57.023 56.287 -0.191 0.000 0.471 1468 K CB -1.335 31.147 32.500 -0.030 0.000 0.686 1468 K HN 1.605 nan 8.250 nan 0.000 0.691 1469 L N 0.469 121.298 121.223 -0.658 0.000 1.765 1469 L HA -0.117 4.223 4.340 -0.000 0.000 0.613 1469 L C -0.933 175.650 176.870 -0.478 0.000 1.001 1469 L CA 0.595 55.065 54.840 -0.617 0.000 1.298 1469 L CB -0.973 40.710 42.059 -0.627 0.000 2.104 1469 L HN 0.457 nan 8.230 nan 0.000 1.040 1470 Y N 2.969 123.238 120.300 -0.052 0.000 2.496 1470 Y HA 0.749 5.299 4.550 -0.000 0.000 0.331 1470 Y C 0.658 176.560 175.900 0.003 0.000 1.140 1470 Y CA -1.421 56.670 58.100 -0.016 0.000 1.166 1470 Y CB 0.811 39.270 38.460 -0.002 0.000 1.249 1470 Y HN 0.384 nan 8.280 nan 0.000 0.479 1471 K N 0.660 121.186 120.400 0.211 0.000 2.322 1471 K HA 0.441 4.761 4.320 -0.000 0.000 0.283 1471 K C 0.705 177.379 176.600 0.124 0.000 1.042 1471 K CA 0.109 56.489 56.287 0.155 0.000 0.958 1471 K CB 1.201 33.800 32.500 0.164 0.000 0.984 1471 K HN 0.921 nan 8.250 nan 0.000 0.473 1472 A N 3.799 126.679 122.820 0.100 0.000 2.019 1472 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 1472 A C 0.962 178.579 177.584 0.055 0.000 1.164 1472 A CA 1.290 53.366 52.037 0.066 0.000 0.644 1472 A CB -0.057 18.981 19.000 0.064 0.000 0.805 1472 A HN 0.687 nan 8.150 nan 0.000 0.449 1473 K N -1.260 119.182 120.400 0.070 0.000 2.139 1473 K HA 0.300 4.620 4.320 -0.000 0.000 0.243 1473 K C 0.806 177.445 176.600 0.066 0.000 0.983 1473 K CA -0.240 56.081 56.287 0.057 0.000 0.890 1473 K CB 0.513 33.045 32.500 0.053 0.000 1.090 1473 K HN 0.308 nan 8.250 nan 0.000 0.445 1474 N N 0.455 119.187 118.700 0.054 0.000 1.347 1474 N HA -0.298 4.442 4.740 -0.000 0.000 0.148 1474 N C -0.781 174.760 175.510 0.052 0.000 0.780 1474 N CA 1.793 54.880 53.050 0.061 0.000 1.015 1474 N CB -1.177 37.368 38.487 0.097 0.000 1.262 1474 N HN 0.892 nan 8.380 nan 0.000 0.496 1475 N N 0.212 118.951 118.700 0.064 0.000 3.100 1475 N HA 0.439 5.179 4.740 -0.000 0.000 0.344 1475 N C -0.628 174.925 175.510 0.071 0.000 1.413 1475 N CA -0.457 52.621 53.050 0.046 0.000 0.752 1475 N CB 1.120 39.628 38.487 0.035 0.000 1.519 1475 N HN 0.418 nan 8.380 nan 0.000 0.620 1476 K N 0.211 120.654 120.400 0.071 0.000 2.092 1476 K HA 0.365 4.685 4.320 -0.000 0.000 0.256 1476 K C -1.068 175.651 176.600 0.198 0.000 1.041 1476 K CA -0.426 55.971 56.287 0.184 0.000 1.070 1476 K CB 0.208 32.728 32.500 0.034 0.000 1.707 1476 K HN 0.595 nan 8.250 nan 0.000 0.750 1477 E N 0.522 120.933 120.200 0.351 0.000 2.313 1477 E HA -0.191 4.159 4.350 -0.000 0.000 0.190 1477 E C -1.384 175.257 176.600 0.068 0.000 1.406 1477 E CA 0.172 56.683 56.400 0.184 0.000 0.668 1477 E CB -1.388 28.373 29.700 0.102 0.000 1.135 1477 E HN 0.215 nan 8.360 nan 0.000 0.375 1478 L N 1.957 123.192 121.223 0.020 0.000 2.476 1478 L HA 0.465 4.804 4.340 -0.000 0.000 0.269 1478 L C -0.912 175.938 176.870 -0.034 0.000 0.965 1478 L CA -0.988 53.840 54.840 -0.021 0.000 0.845 1478 L CB 1.344 43.376 42.059 -0.045 0.000 1.259 1478 L HN 0.213 nan 8.230 nan 0.000 0.403 1479 Y N 1.974 122.215 120.300 -0.098 0.000 2.331 1479 Y HA 0.722 5.272 4.550 -0.000 0.000 0.338 1479 Y C 0.314 176.115 175.900 -0.165 0.000 0.992 1479 Y CA -0.522 57.477 58.100 -0.168 0.000 1.121 1479 Y CB 2.039 40.411 38.460 -0.146 0.000 1.184 1479 Y HN 0.508 nan 8.280 nan 0.000 0.469 1480 G N 4.524 112.935 108.800 -0.649 0.000 2.453 1480 G HA2 0.592 4.552 3.960 -0.000 0.000 0.323 1480 G HA3 0.592 4.552 3.960 -0.000 0.000 0.323 1480 G C -2.073 172.574 174.900 -0.421 0.000 1.198 1480 G CA -0.614 44.292 45.100 -0.324 0.000 0.959 1480 G HN 0.429 nan 8.290 nan 0.000 0.482 1481 F N 0.396 120.422 119.950 0.126 0.000 2.507 1481 F HA 0.507 5.034 4.527 -0.000 0.000 0.325 1481 F C -0.182 175.500 175.800 -0.197 0.000 1.116 1481 F CA -0.980 57.031 58.000 0.018 0.000 0.930 1481 F CB 2.356 41.372 39.000 0.027 0.000 1.146 1481 F HN 0.332 nan 8.300 nan 0.000 0.447 1482 L N 4.273 125.370 121.223 -0.209 0.000 2.295 1482 L HA 0.698 5.038 4.340 -0.000 0.000 0.285 1482 L C -1.450 175.045 176.870 -0.624 0.000 1.035 1482 L CA -0.347 54.328 54.840 -0.276 0.000 0.806 1482 L CB 0.434 42.388 42.059 -0.176 0.000 1.214 1482 L HN 0.478 nan 8.230 nan 0.000 0.426 1483 F N 2.167 122.050 119.950 -0.112 0.000 2.661 1483 F HA 0.425 4.952 4.527 -0.000 0.000 0.347 1483 F C 1.367 177.079 175.800 -0.146 0.000 1.086 1483 F CA -0.715 57.175 58.000 -0.183 0.000 1.016 1483 F CB 0.803 39.533 39.000 -0.450 0.000 1.368 1483 F HN 0.608 nan 8.300 nan 0.000 0.505 1484 N N 0.256 119.014 118.700 0.096 0.000 2.459 1484 N HA -0.140 4.600 4.740 -0.000 0.000 0.181 1484 N C 0.407 175.945 175.510 0.047 0.000 1.046 1484 N CA 1.468 54.542 53.050 0.040 0.000 0.904 1484 N CB -0.525 37.968 38.487 0.009 0.000 0.964 1484 N HN 0.756 nan 8.380 nan 0.000 0.444 1485 D N -1.166 119.264 120.400 0.049 0.000 2.479 1485 D HA 0.052 4.692 4.640 -0.000 0.000 0.221 1485 D C 0.154 176.673 176.300 0.364 0.000 1.104 1485 D CA -0.254 53.852 54.000 0.177 0.000 0.849 1485 D CB -0.102 40.782 40.800 0.140 0.000 1.072 1485 D HN 0.305 nan 8.370 nan 0.000 0.502 1486 F N -0.575 119.444 119.950 0.115 0.000 2.703 1486 F HA 0.560 5.087 4.527 -0.000 0.000 0.308 1486 F C -2.203 173.686 175.800 0.149 0.000 1.126 1486 F CA -1.754 56.215 58.000 -0.053 0.000 0.959 1486 F CB 0.932 39.502 39.000 -0.717 0.000 1.297 1486 F HN -0.195 nan 8.300 nan 0.000 0.441 1487 L N 3.724 125.183 121.223 0.393 0.000 2.282 1487 L HA 0.732 5.072 4.340 -0.000 0.000 0.288 1487 L C -1.434 175.688 176.870 0.420 0.000 1.033 1487 L CA -0.709 54.327 54.840 0.326 0.000 0.807 1487 L CB 1.202 43.380 42.059 0.198 0.000 1.209 1487 L HN 0.827 nan 8.230 nan 0.000 0.423 1488 L N 6.034 127.566 121.223 0.515 0.000 2.296 1488 L HA 0.586 4.925 4.340 -0.000 0.000 0.286 1488 L C -1.282 175.812 176.870 0.373 0.000 1.023 1488 L CA -0.111 55.048 54.840 0.532 0.000 0.812 1488 L CB 1.267 43.845 42.059 0.864 0.000 1.223 1488 L HN 0.606 nan 8.230 nan 0.000 0.421 1489 L N 5.064 126.432 121.223 0.241 0.000 2.307 1489 L HA 0.749 5.089 4.340 -0.000 0.000 0.284 1489 L C 0.077 177.106 176.870 0.265 0.000 1.023 1489 L CA -0.367 54.594 54.840 0.200 0.000 0.810 1489 L CB 1.875 44.027 42.059 0.155 0.000 1.231 1489 L HN 0.810 nan 8.230 nan 0.000 0.423 1490 T N -0.456 114.248 114.554 0.249 0.000 2.696 1490 T HA 0.463 4.813 4.350 -0.000 0.000 0.291 1490 T C -1.013 173.777 174.700 0.150 0.000 1.095 1490 T CA -0.842 61.396 62.100 0.231 0.000 1.026 1490 T CB 2.187 71.292 68.868 0.395 0.000 1.390 1490 T HN 0.536 nan 8.240 nan 0.000 0.513 1491 Q N 0.362 120.254 119.800 0.153 0.000 2.304 1491 Q HA 0.519 4.859 4.340 -0.000 0.000 0.270 1491 Q C -1.114 174.972 176.000 0.143 0.000 1.035 1491 Q CA -0.873 54.999 55.803 0.114 0.000 0.781 1491 Q CB 1.536 30.318 28.738 0.073 0.000 1.261 1491 Q HN 0.727 nan 8.270 nan 0.000 0.444 1492 I N 3.910 124.542 120.570 0.103 0.000 2.577 1492 I HA 0.036 4.205 4.170 -0.000 0.000 0.299 1492 I C -0.048 176.103 176.117 0.056 0.000 1.157 1492 I CA 0.308 61.646 61.300 0.063 0.000 1.418 1492 I CB 0.036 38.042 38.000 0.009 0.000 1.467 1492 I HN 0.470 nan 8.210 nan 0.000 0.624 1493 T N 7.048 121.644 114.554 0.069 0.000 2.761 1493 T HA 0.206 4.556 4.350 -0.000 0.000 0.296 1493 T C 0.259 174.974 174.700 0.025 0.000 0.934 1493 T CA -0.595 61.534 62.100 0.049 0.000 1.091 1493 T CB 0.291 69.190 68.868 0.053 0.000 0.896 1493 T HN 0.541 nan 8.240 nan 0.000 0.515 1494 K N 2.943 123.352 120.400 0.016 0.000 2.156 1494 K HA 0.720 5.039 4.320 -0.000 0.000 0.250 1494 K C -2.251 174.351 176.600 0.003 0.000 0.955 1494 K CA -1.749 54.543 56.287 0.007 0.000 0.855 1494 K CB -0.076 32.427 32.500 0.006 0.000 1.101 1494 K HN 0.214 nan 8.250 nan 0.000 0.434 1504 V N 0.572 120.251 119.914 -0.392 0.000 0.981 1504 V HA -0.385 3.734 4.120 -0.000 0.000 0.109 1504 V C 0.508 175.720 176.094 -1.469 0.000 1.808 1504 V CA 2.292 64.206 62.300 -0.643 0.000 3.108 1504 V CB -0.936 30.721 31.823 -0.277 0.000 0.850 1504 V HN 0.321 nan 8.190 nan 0.000 0.689 1505 F N -1.060 118.421 119.950 -0.781 0.000 2.654 1505 F HA 0.689 5.216 4.527 -0.000 0.000 0.308 1505 F C -0.191 175.220 175.800 -0.647 0.000 1.108 1505 F CA 0.257 57.493 58.000 -1.274 0.000 0.957 1505 F CB 2.317 40.738 39.000 -0.965 0.000 1.309 1505 F HN 0.332 nan 8.300 nan 0.000 0.446 1506 S N 0.267 115.786 115.700 -0.301 0.000 2.816 1506 S HA 0.160 4.630 4.470 -0.000 0.000 0.282 1506 S C -2.855 171.901 174.600 0.259 0.000 0.867 1506 S CA -1.153 57.052 58.200 0.008 0.000 0.886 1506 S CB 0.843 64.034 63.200 -0.016 0.000 1.115 1506 S HN 0.375 nan 8.310 nan 0.000 0.485 1507 P HA -0.058 nan 4.420 nan 0.000 0.226 1507 P C -0.115 177.283 177.300 0.164 0.000 1.146 1507 P CA 0.784 64.004 63.100 0.200 0.000 0.773 1507 P CB -0.092 31.670 31.700 0.103 0.000 0.772 1508 K N 1.502 121.983 120.400 0.135 0.000 2.316 1508 K HA 0.189 4.509 4.320 -0.000 0.000 0.289 1508 K C 1.040 177.694 176.600 0.091 0.000 1.070 1508 K CA -0.218 56.122 56.287 0.088 0.000 0.928 1508 K CB 0.578 33.107 32.500 0.049 0.000 1.039 1508 K HN 0.120 nan 8.250 nan 0.000 0.480 1509 S N 3.184 118.930 115.700 0.078 0.000 2.548 1509 S HA -0.154 4.315 4.470 -0.000 0.000 0.266 1509 S C 0.094 174.699 174.600 0.009 0.000 1.374 1509 S CA -0.116 58.129 58.200 0.074 0.000 0.997 1509 S CB 0.278 63.512 63.200 0.057 0.000 0.855 1509 S HN 0.945 nan 8.310 nan 0.000 0.534 1510 N N -0.366 118.338 118.700 0.005 0.000 5.988 1510 N HA 0.185 4.925 4.740 -0.000 0.000 0.133 1510 N C -2.072 173.453 175.510 0.025 0.000 0.983 1510 N CA -0.560 52.479 53.050 -0.019 0.000 1.191 1510 N CB 0.243 38.701 38.487 -0.049 0.000 1.440 1510 N HN 0.700 nan 8.380 nan 0.000 1.002 1511 L N 2.159 123.401 121.223 0.032 0.000 2.362 1511 L HA 0.572 4.912 4.340 -0.000 0.000 0.271 1511 L C -0.694 176.222 176.870 0.077 0.000 1.002 1511 L CA -0.636 54.233 54.840 0.048 0.000 0.818 1511 L CB 2.154 44.232 42.059 0.030 0.000 1.298 1511 L HN 0.529 nan 8.230 nan 0.000 0.420 1512 Q N 1.521 121.393 119.800 0.119 0.000 2.305 1512 Q HA 0.382 4.722 4.340 -0.000 0.000 0.271 1512 Q C -1.730 174.422 176.000 0.253 0.000 1.046 1512 Q CA -0.747 55.171 55.803 0.193 0.000 0.798 1512 Q CB 3.245 32.143 28.738 0.267 0.000 1.286 1512 Q HN 0.407 nan 8.270 nan 0.000 0.435 1513 Y N 2.825 123.194 120.300 0.115 0.000 2.320 1513 Y HA 0.377 4.926 4.550 -0.000 0.000 0.334 1513 Y C -0.130 175.867 175.900 0.162 0.000 1.055 1513 Y CA -0.986 57.182 58.100 0.114 0.000 1.143 1513 Y CB 1.020 39.528 38.460 0.079 0.000 1.193 1513 Y HN 0.736 nan 8.280 nan 0.000 0.477 1514 M N 7.028 126.477 119.600 -0.252 0.000 2.252 1514 M HA 0.002 4.482 4.480 -0.000 0.000 0.329 1514 M C -0.298 175.776 176.300 -0.377 0.000 1.101 1514 M CA 0.738 55.912 55.300 -0.210 0.000 1.117 1514 M CB 0.531 33.054 32.600 -0.127 0.000 1.563 1514 M HN 0.991 nan 8.290 nan 0.000 0.445 1515 Y N 3.868 124.039 120.300 -0.215 0.000 3.255 1515 Y HA 0.173 4.723 4.550 -0.000 0.000 0.254 1515 Y C 0.798 176.616 175.900 -0.136 0.000 0.887 1515 Y CA -0.649 57.356 58.100 -0.159 0.000 1.161 1515 Y CB 0.349 38.776 38.460 -0.055 0.000 1.152 1515 Y HN 0.581 nan 8.280 nan 0.000 0.513 1516 K N 0.169 120.443 120.400 -0.209 0.000 2.916 1516 K HA 0.131 4.451 4.320 -0.000 0.000 0.320 1516 K C -0.297 176.220 176.600 -0.138 0.000 1.032 1516 K CA -0.058 56.075 56.287 -0.256 0.000 1.074 1516 K CB -0.313 31.941 32.500 -0.410 0.000 1.192 1516 K HN 0.304 nan 8.250 nan 0.000 0.468 1517 T N 3.156 117.631 114.554 -0.132 0.000 2.897 1517 T HA 0.160 4.510 4.350 -0.000 0.000 0.294 1517 T C -2.350 172.260 174.700 -0.151 0.000 1.004 1517 T CA -1.240 60.800 62.100 -0.100 0.000 1.106 1517 T CB 0.894 69.736 68.868 -0.043 0.000 0.949 1517 T HN 0.363 nan 8.240 nan 0.000 0.520 1518 P HA 0.070 nan 4.420 nan 0.000 0.261 1518 P C -0.414 176.732 177.300 -0.257 0.000 1.183 1518 P CA -0.072 62.830 63.100 -0.330 0.000 0.761 1518 P CB 0.343 31.483 31.700 -0.933 0.000 0.785 1519 I N 4.255 124.717 120.570 -0.179 0.000 2.308 1519 I HA 0.197 4.367 4.170 -0.000 0.000 0.293 1519 I C -0.467 175.742 176.117 0.153 0.000 1.078 1519 I CA -0.932 60.305 61.300 -0.106 0.000 1.292 1519 I CB -0.268 37.597 38.000 -0.224 0.000 1.423 1519 I HN 0.032 nan 8.210 nan 0.000 0.493 1520 F N 6.673 126.802 119.950 0.297 0.000 2.495 1520 F HA 0.106 4.632 4.527 -0.000 0.000 0.365 1520 F C 0.908 176.879 175.800 0.286 0.000 1.090 1520 F CA -0.496 57.720 58.000 0.360 0.000 1.235 1520 F CB 0.589 39.769 39.000 0.300 0.000 1.119 1520 F HN 0.462 nan 8.300 nan 0.000 0.562 1521 L N 2.903 124.390 121.223 0.440 0.000 2.450 1521 L HA -0.198 4.142 4.340 -0.000 0.000 0.224 1521 L C 2.128 179.011 176.870 0.023 0.000 1.149 1521 L CA 0.972 55.980 54.840 0.281 0.000 0.816 1521 L CB -1.159 41.122 42.059 0.370 0.000 0.932 1521 L HN 0.634 nan 8.230 nan 0.000 0.449 1522 N N 0.789 119.299 118.700 -0.317 0.000 2.515 1522 N HA -0.155 4.585 4.740 -0.000 0.000 0.185 1522 N C 0.398 175.773 175.510 -0.226 0.000 1.109 1522 N CA 0.623 53.307 53.050 -0.610 0.000 0.903 1522 N CB -0.153 37.625 38.487 -1.182 0.000 0.969 1522 N HN 0.669 nan 8.380 nan 0.000 0.450 1523 E N -0.475 119.679 120.200 -0.077 0.000 4.129 1523 E HA 0.383 4.733 4.350 -0.000 0.000 0.222 1523 E C -1.249 175.319 176.600 -0.054 0.000 1.179 1523 E CA -0.726 55.621 56.400 -0.087 0.000 1.334 1523 E CB 0.324 29.945 29.700 -0.132 0.000 1.202 1523 E HN -0.016 nan 8.360 nan 0.000 0.428 1524 V N 1.157 121.083 119.914 0.021 0.000 3.147 1524 V HA 0.628 4.748 4.120 -0.000 0.000 0.306 1524 V C -1.876 174.255 176.094 0.062 0.000 1.209 1524 V CA -0.760 61.591 62.300 0.086 0.000 1.023 1524 V CB 2.281 34.214 31.823 0.182 0.000 1.059 1524 V HN 0.514 nan 8.190 nan 0.000 0.435 1525 L N 4.356 125.620 121.223 0.069 0.000 2.409 1525 L HA 0.780 5.120 4.340 -0.000 0.000 0.262 1525 L C -1.362 175.550 176.870 0.071 0.000 0.992 1525 L CA -0.940 53.934 54.840 0.057 0.000 0.817 1525 L CB 2.368 44.446 42.059 0.031 0.000 1.350 1525 L HN 0.437 nan 8.230 nan 0.000 0.411 1526 V N 2.331 122.297 119.914 0.087 0.000 2.525 1526 V HA 0.502 4.622 4.120 -0.000 0.000 0.299 1526 V C -0.557 175.610 176.094 0.122 0.000 1.034 1526 V CA -0.693 61.678 62.300 0.118 0.000 0.863 1526 V CB 2.019 33.968 31.823 0.210 0.000 0.999 1526 V HN 0.676 nan 8.190 nan 0.000 0.423 1527 K N 4.327 124.799 120.400 0.119 0.000 2.477 1527 K HA 0.777 5.097 4.320 -0.000 0.000 0.255 1527 K C -1.665 175.032 176.600 0.162 0.000 0.952 1527 K CA -0.906 55.459 56.287 0.130 0.000 0.826 1527 K CB 2.689 35.254 32.500 0.109 0.000 1.331 1527 K HN 0.357 nan 8.250 nan 0.000 0.437 1528 L N 1.234 122.546 121.223 0.149 0.000 2.365 1528 L HA 0.561 4.901 4.340 -0.000 0.000 0.267 1528 L C -1.925 175.015 176.870 0.116 0.000 1.033 1528 L CA -1.579 53.332 54.840 0.120 0.000 0.802 1528 L CB 0.173 42.295 42.059 0.106 0.000 1.267 1528 L HN 0.532 nan 8.230 nan 0.000 0.457 1529 P HA 0.212 nan 4.420 nan 0.000 0.288 1529 P C 0.195 177.538 177.300 0.071 0.000 1.682 1529 P CA -0.151 63.019 63.100 0.116 0.000 1.270 1529 P CB 0.690 32.483 31.700 0.154 0.000 1.596 1530 T N -0.729 113.856 114.554 0.051 0.000 2.564 1530 T HA -0.090 4.260 4.350 -0.000 0.000 0.259 1530 T C 0.782 175.507 174.700 0.042 0.000 1.087 1530 T CA 1.085 63.209 62.100 0.039 0.000 1.184 1530 T CB -0.799 68.089 68.868 0.032 0.000 0.864 1530 T HN 0.207 nan 8.240 nan 0.000 0.403 1531 D N 3.354 123.778 120.400 0.041 0.000 2.450 1531 D HA 0.036 4.676 4.640 -0.000 0.000 0.247 1531 D C -2.287 174.039 176.300 0.044 0.000 1.162 1531 D CA -1.517 52.505 54.000 0.036 0.000 0.879 1531 D CB 0.656 41.476 40.800 0.033 0.000 1.163 1531 D HN 0.120 nan 8.370 nan 0.000 0.472 1532 P HA -0.078 nan 4.420 nan 0.000 0.255 1532 P C -0.055 177.268 177.300 0.038 0.000 1.161 1532 P CA 0.442 63.565 63.100 0.039 0.000 0.768 1532 P CB 0.715 32.431 31.700 0.027 0.000 0.746 1533 S N 1.219 116.949 115.700 0.050 0.000 3.446 1533 S HA 0.156 4.626 4.470 -0.000 0.000 0.129 1533 S C 0.366 174.994 174.600 0.046 0.000 0.819 1533 S CA 0.156 58.379 58.200 0.038 0.000 1.474 1533 S CB -0.859 62.366 63.200 0.041 0.000 1.037 1533 S HN 0.654 nan 8.310 nan 0.000 0.680 1534 G N 0.730 109.594 108.800 0.105 0.000 2.441 1534 G HA2 0.635 4.595 3.960 -0.000 0.000 0.334 1534 G HA3 0.635 4.595 3.960 -0.000 0.000 0.334 1534 G C -0.844 174.092 174.900 0.061 0.000 1.161 1534 G CA 0.373 45.587 45.100 0.190 0.000 0.935 1534 G HN 0.411 nan 8.290 nan 0.000 0.488 1540 H N 6.712 125.575 119.070 -0.346 0.000 2.492 1540 H HA 0.676 5.232 4.556 -0.000 0.000 0.345 1540 H C -0.716 174.327 175.328 -0.474 0.000 1.136 1540 H CA -0.784 55.038 56.048 -0.377 0.000 1.202 1540 H CB 2.936 32.615 29.762 -0.139 0.000 1.524 1540 H HN 0.787 nan 8.280 nan 0.000 0.506 1541 I N 1.655 122.088 120.570 -0.228 0.000 2.512 1541 I HA 0.183 4.353 4.170 -0.000 0.000 0.287 1541 I C -0.677 175.478 176.117 0.064 0.000 1.069 1541 I CA -0.376 60.850 61.300 -0.124 0.000 1.056 1541 I CB 1.347 39.221 38.000 -0.211 0.000 1.229 1541 I HN 0.410 nan 8.210 nan 0.000 0.429 1542 S N 5.845 121.586 115.700 0.068 0.000 2.480 1542 S HA 0.408 4.878 4.470 -0.000 0.000 0.286 1542 S C -0.966 173.720 174.600 0.144 0.000 1.180 1542 S CA -0.123 58.123 58.200 0.078 0.000 1.075 1542 S CB 0.344 63.553 63.200 0.016 0.000 0.996 1542 S HN 0.728 nan 8.310 nan 0.000 0.487 1543 H N 4.728 123.855 119.070 0.096 0.000 2.860 1543 H HA 0.420 4.976 4.556 -0.000 0.000 0.312 1543 H C -0.024 175.337 175.328 0.056 0.000 0.995 1543 H CA -0.798 55.321 56.048 0.117 0.000 1.311 1543 H CB 0.260 30.164 29.762 0.236 0.000 1.478 1543 H HN 0.744 nan 8.280 nan 0.000 0.508 1544 I N 4.841 125.198 120.570 -0.355 0.000 3.183 1544 I HA -0.333 3.837 4.170 -0.000 0.000 0.256 1544 I C -0.221 175.844 176.117 -0.087 0.000 1.021 1544 I CA 0.863 62.039 61.300 -0.205 0.000 2.322 1544 I CB -0.242 37.611 38.000 -0.246 0.000 0.945 1544 I HN 0.872 nan 8.210 nan 0.000 0.381 1545 D N 3.335 123.702 120.400 -0.055 0.000 3.017 1545 D HA -0.172 4.468 4.640 -0.000 0.000 0.220 1545 D C 0.083 176.359 176.300 -0.039 0.000 1.141 1545 D CA 0.885 54.862 54.000 -0.038 0.000 0.848 1545 D CB -0.760 40.021 40.800 -0.031 0.000 1.102 1545 D HN 0.741 nan 8.370 nan 0.000 0.427 1546 R N -1.480 118.993 120.500 -0.045 0.000 2.752 1546 R HA 0.777 5.117 4.340 -0.000 0.000 0.271 1546 R C -1.230 174.974 176.300 -0.160 0.000 1.026 1546 R CA -0.935 55.087 56.100 -0.131 0.000 0.901 1546 R CB 2.251 32.468 30.300 -0.138 0.000 1.243 1546 R HN -0.090 nan 8.270 nan 0.000 0.463 1547 V N 1.689 121.410 119.914 -0.321 0.000 2.711 1547 V HA 0.377 4.497 4.120 -0.000 0.000 0.304 1547 V C -1.722 174.148 176.094 -0.374 0.000 1.097 1547 V CA -0.856 61.304 62.300 -0.233 0.000 0.906 1547 V CB 1.877 33.607 31.823 -0.155 0.000 1.015 1547 V HN 0.595 nan 8.190 nan 0.000 0.427 1548 Y N 1.649 121.926 120.300 -0.039 0.000 2.328 1548 Y HA 0.553 5.102 4.550 -0.000 0.000 0.337 1548 Y C 0.866 176.739 175.900 -0.044 0.000 0.966 1548 Y CA -0.515 57.560 58.100 -0.042 0.000 1.136 1548 Y CB 1.966 40.387 38.460 -0.066 0.000 1.170 1548 Y HN 0.535 nan 8.280 nan 0.000 0.470 1549 T N 5.608 120.244 114.554 0.137 0.000 2.856 1549 T HA 0.631 4.980 4.350 -0.000 0.000 0.292 1549 T C -0.463 174.286 174.700 0.081 0.000 0.980 1549 T CA -0.369 61.820 62.100 0.147 0.000 1.091 1549 T CB 0.196 69.158 68.868 0.157 0.000 0.936 1549 T HN 0.405 nan 8.240 nan 0.000 0.503 1550 L N 2.684 123.909 121.223 0.003 0.000 2.482 1550 L HA 0.586 4.926 4.340 -0.000 0.000 0.263 1550 L C -0.360 176.589 176.870 0.131 0.000 0.957 1550 L CA -1.020 53.858 54.840 0.064 0.000 0.836 1550 L CB 2.299 44.377 42.059 0.032 0.000 1.324 1550 L HN 0.372 nan 8.230 nan 0.000 0.406 1551 R N 1.872 122.445 120.500 0.121 0.000 2.494 1551 R HA 0.793 5.133 4.340 -0.000 0.000 0.305 1551 R C -0.463 175.878 176.300 0.068 0.000 0.959 1551 R CA 0.047 56.217 56.100 0.116 0.000 0.864 1551 R CB 2.056 32.438 30.300 0.137 0.000 1.159 1551 R HN 0.834 nan 8.270 nan 0.000 0.446 1552 A N 3.348 126.171 122.820 0.005 0.000 3.720 1552 A HA 0.214 4.533 4.320 -0.000 0.000 0.157 1552 A C 0.534 178.151 177.584 0.054 0.000 1.736 1552 A CA 0.489 52.494 52.037 -0.053 0.000 1.289 1552 A CB 0.158 19.109 19.000 -0.082 0.000 1.598 1552 A HN 0.863 nan 8.150 nan 0.000 0.692 1553 E N -2.340 117.894 120.200 0.056 0.000 2.701 1553 E HA 0.158 4.508 4.350 -0.000 0.000 0.201 1553 E C -0.296 176.340 176.600 0.059 0.000 0.961 1553 E CA 0.594 57.046 56.400 0.087 0.000 1.659 1553 E CB 0.757 30.510 29.700 0.088 0.000 1.970 1553 E HN 0.620 nan 8.360 nan 0.000 1.021 1554 S N -0.731 114.994 115.700 0.042 0.000 2.685 1554 S HA 0.431 4.901 4.470 -0.000 0.000 0.282 1554 S C 0.656 175.263 174.600 0.012 0.000 1.159 1554 S CA -0.761 57.456 58.200 0.027 0.000 0.833 1554 S CB 0.816 64.032 63.200 0.027 0.000 1.151 1554 S HN 0.084 nan 8.310 nan 0.000 0.485 1555 I N 1.296 121.869 120.570 0.006 0.000 2.493 1555 I HA -0.159 4.011 4.170 -0.000 0.000 0.254 1555 I C 1.833 177.942 176.117 -0.012 0.000 1.160 1555 I CA 0.846 62.144 61.300 -0.003 0.000 1.445 1555 I CB -0.575 37.425 38.000 -0.001 0.000 1.086 1555 I HN 0.604 nan 8.210 nan 0.000 0.433 1556 N N 0.859 119.555 118.700 -0.008 0.000 2.216 1556 N HA -0.132 4.608 4.740 -0.000 0.000 0.183 1556 N C 1.634 177.129 175.510 -0.024 0.000 1.017 1556 N CA 1.186 54.226 53.050 -0.016 0.000 0.861 1556 N CB -0.120 38.362 38.487 -0.009 0.000 0.986 1556 N HN 0.506 nan 8.380 nan 0.000 0.428 1557 E N 0.845 121.046 120.200 0.002 0.000 2.170 1557 E HA -0.044 4.306 4.350 -0.000 0.000 0.191 1557 E C 2.160 178.779 176.600 0.032 0.000 0.981 1557 E CA 0.154 56.572 56.400 0.030 0.000 0.830 1557 E CB 0.134 29.905 29.700 0.119 0.000 0.775 1557 E HN 0.427 nan 8.360 nan 0.000 0.470 1558 R N 1.080 121.562 120.500 -0.030 0.000 2.070 1558 R HA -0.106 4.234 4.340 -0.000 0.000 0.232 1558 R C 2.349 178.547 176.300 -0.170 0.000 1.138 1558 R CA 2.028 58.047 56.100 -0.135 0.000 0.936 1558 R CB -1.563 28.684 30.300 -0.088 0.000 0.839 1558 R HN 0.063 nan 8.270 nan 0.000 0.429 1559 T N -1.829 112.667 114.554 -0.097 0.000 3.077 1559 T HA 0.135 4.485 4.350 -0.000 0.000 0.269 1559 T C 1.959 176.591 174.700 -0.113 0.000 1.146 1559 T CA 0.714 62.765 62.100 -0.083 0.000 1.091 1559 T CB 0.018 68.859 68.868 -0.046 0.000 0.892 1559 T HN 0.447 nan 8.240 nan 0.000 0.533 1560 A N 0.890 123.619 122.820 -0.152 0.000 1.855 1560 A HA 0.178 4.498 4.320 -0.000 0.000 0.213 1560 A C 1.983 179.343 177.584 -0.374 0.000 1.195 1560 A CA 0.729 52.613 52.037 -0.255 0.000 0.610 1560 A CB -1.139 17.678 19.000 -0.305 0.000 0.837 1560 A HN 0.650 nan 8.150 nan 0.000 0.444 1561 W N 0.058 121.035 121.300 -0.538 0.000 2.358 1561 W HA -0.098 4.561 4.660 -0.000 0.000 0.303 1561 W C 2.291 178.604 176.519 -0.344 0.000 1.208 1561 W CA 1.397 58.407 57.345 -0.558 0.000 1.274 1561 W CB -0.782 28.236 29.460 -0.737 0.000 1.138 1561 W HN 0.118 nan 8.180 nan 0.000 0.515 1562 V N 0.271 120.115 119.914 -0.117 0.000 2.255 1562 V HA -0.373 3.747 4.120 -0.000 0.000 0.247 1562 V C 2.334 178.442 176.094 0.023 0.000 1.051 1562 V CA 2.331 64.655 62.300 0.040 0.000 1.018 1562 V CB -1.229 30.615 31.823 0.036 0.000 0.641 1562 V HN 0.169 nan 8.190 nan 0.000 0.445 1563 Q N 0.839 120.612 119.800 -0.046 0.000 2.014 1563 Q HA -0.248 4.092 4.340 -0.000 0.000 0.207 1563 Q C 2.148 178.118 176.000 -0.050 0.000 0.993 1563 Q CA 2.195 57.969 55.803 -0.048 0.000 0.850 1563 Q CB -0.369 28.320 28.738 -0.082 0.000 0.916 1563 Q HN 0.625 nan 8.270 nan 0.000 0.417 1564 K N -0.273 120.063 120.400 -0.107 0.000 2.025 1564 K HA -0.061 4.259 4.320 -0.000 0.000 0.207 1564 K C 2.260 178.841 176.600 -0.031 0.000 1.049 1564 K CA 1.510 57.731 56.287 -0.110 0.000 0.933 1564 K CB -0.273 32.087 32.500 -0.234 0.000 0.714 1564 K HN 0.276 nan 8.250 nan 0.000 0.438 1565 I N 1.519 122.103 120.570 0.023 0.000 2.208 1565 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 1565 I C 2.655 178.836 176.117 0.106 0.000 1.097 1565 I CA 1.306 62.671 61.300 0.108 0.000 1.363 1565 I CB -0.256 37.871 38.000 0.212 0.000 1.051 1565 I HN 0.193 nan 8.210 nan 0.000 0.413 1566 K N 1.274 121.729 120.400 0.092 0.000 2.025 1566 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 1566 K C 2.250 178.889 176.600 0.065 0.000 1.049 1566 K CA 1.497 57.833 56.287 0.082 0.000 0.933 1566 K CB -0.113 32.430 32.500 0.071 0.000 0.714 1566 K HN 0.270 nan 8.250 nan 0.000 0.438 1567 A N 1.206 124.051 122.820 0.042 0.000 1.845 1567 A HA -0.129 4.191 4.320 -0.000 0.000 0.215 1567 A C 2.380 179.997 177.584 0.054 0.000 1.195 1567 A CA 2.076 54.133 52.037 0.034 0.000 0.616 1567 A CB -1.073 17.930 19.000 0.006 0.000 0.832 1567 A HN 0.495 nan 8.150 nan 0.000 0.443 1568 A N -0.950 121.902 122.820 0.054 0.000 1.908 1568 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 1568 A C 2.504 180.183 177.584 0.159 0.000 1.181 1568 A CA 2.387 54.475 52.037 0.085 0.000 0.627 1568 A CB -1.066 17.975 19.000 0.068 0.000 0.818 1568 A HN 0.564 nan 8.150 nan 0.000 0.445 1569 S N -0.575 115.218 115.700 0.155 0.000 2.356 1569 S HA -0.205 4.265 4.470 -0.000 0.000 0.223 1569 S C 1.927 176.616 174.600 0.149 0.000 1.032 1569 S CA 1.741 60.045 58.200 0.173 0.000 1.005 1569 S CB -0.383 62.892 63.200 0.126 0.000 0.867 1569 S HN 0.675 nan 8.310 nan 0.000 0.449 1570 E N 0.544 120.808 120.200 0.107 0.000 2.110 1570 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 1570 E C 2.142 178.806 176.600 0.107 0.000 0.988 1570 E CA 1.029 57.481 56.400 0.086 0.000 0.804 1570 E CB -0.275 29.462 29.700 0.062 0.000 0.745 1570 E HN 0.454 nan 8.360 nan 0.000 0.458 1571 L N 0.309 121.603 121.223 0.117 0.000 2.141 1571 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 1571 L C 2.287 179.264 176.870 0.178 0.000 1.094 1571 L CA 1.074 55.982 54.840 0.113 0.000 0.763 1571 L CB -0.134 41.974 42.059 0.081 0.000 0.908 1571 L HN 0.264 nan 8.230 nan 0.000 0.437 1572 Y N 0.055 120.391 120.300 0.060 0.000 2.220 1572 Y HA -0.252 4.298 4.550 -0.000 0.000 0.291 1572 Y C 2.445 178.384 175.900 0.065 0.000 1.129 1572 Y CA 1.193 59.338 58.100 0.075 0.000 1.161 1572 Y CB 0.154 38.677 38.460 0.105 0.000 0.997 1572 Y HN 0.108 nan 8.280 nan 0.000 0.522 1573 I N 0.722 121.417 120.570 0.210 0.000 2.099 1573 I HA -0.359 3.811 4.170 -0.000 0.000 0.239 1573 I C 2.159 178.339 176.117 0.105 0.000 1.066 1573 I CA 1.901 63.252 61.300 0.085 0.000 1.324 1573 I CB -0.562 37.463 38.000 0.041 0.000 1.037 1573 I HN 0.298 nan 8.210 nan 0.000 0.401 1574 E N 0.407 120.667 120.200 0.100 0.000 2.065 1574 E HA -0.240 4.110 4.350 -0.000 0.000 0.201 1574 E C 2.111 178.763 176.600 0.087 0.000 1.016 1574 E CA 2.178 58.625 56.400 0.078 0.000 0.818 1574 E CB -0.314 29.426 29.700 0.066 0.000 0.749 1574 E HN 0.465 nan 8.360 nan 0.000 0.453 1575 T N 0.473 115.097 114.554 0.117 0.000 2.881 1575 T HA -0.168 4.182 4.350 -0.000 0.000 0.270 1575 T C 1.747 176.521 174.700 0.123 0.000 1.068 1575 T CA 1.340 63.502 62.100 0.104 0.000 1.131 1575 T CB -0.102 68.823 68.868 0.096 0.000 0.871 1575 T HN 0.238 nan 8.240 nan 0.000 0.479 1576 E N 0.531 120.834 120.200 0.172 0.000 2.170 1576 E HA -0.025 4.325 4.350 -0.000 0.000 0.191 1576 E C 1.310 177.961 176.600 0.085 0.000 0.981 1576 E CA 0.495 56.988 56.400 0.155 0.000 0.830 1576 E CB 0.184 29.991 29.700 0.180 0.000 0.775 1576 E HN -0.009 nan 8.360 nan 0.000 0.470 1577 K N 1.038 121.479 120.400 0.068 0.000 2.699 1577 K HA -0.005 4.314 4.320 -0.000 0.000 0.205 1577 K C 0.034 176.658 176.600 0.039 0.000 1.008 1577 K CA 0.539 56.852 56.287 0.043 0.000 1.100 1577 K CB 0.012 32.534 32.500 0.036 0.000 0.878 1577 K HN 0.086 nan 8.250 nan 0.000 0.496 1578 K N 0.427 120.854 120.400 0.045 0.000 2.972 1578 K HA 0.177 4.497 4.320 -0.000 0.000 0.209 1578 K C -0.140 176.481 176.600 0.035 0.000 1.128 1578 K CA -0.052 56.256 56.287 0.036 0.000 1.024 1578 K CB 0.909 33.431 32.500 0.037 0.000 0.754 1578 K HN -0.055 nan 8.250 nan 0.000 0.454 1579 K N 0.407 120.828 120.400 0.034 0.000 2.149 1579 K HA 0.541 4.860 4.320 -0.000 0.000 0.241 1579 K C -0.326 176.286 176.600 0.021 0.000 1.083 1579 K CA -0.971 55.334 56.287 0.030 0.000 0.885 1579 K CB 1.412 33.936 32.500 0.039 0.000 1.374 1579 K HN 0.005 nan 8.250 nan 0.000 0.511 1580 R N 0.000 120.511 120.500 0.018 0.000 2.786 1580 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 1580 R CA 0.000 56.107 56.100 0.012 0.000 0.921 1580 R CB 0.000 30.306 30.300 0.010 0.000 0.687 1580 R HN 0.000 nan 8.270 nan 0.000 0.535