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 1a5u_1_G DATA FIRST_RESID 4212 DATA SEQUENCE IQTQQLHAAM ADTFLEHMCR LDIDSAPITA RNTGIICTIG PASRSVETLK DATA SEQUENCE EMIKSGMNVA RMNFSHGTHE YHAETIKNVR TATESFASDP ILYRPVAVAL DATA SEQUENCE DTKGPEIRTG LIKGSGTAEV ELKKGATLKI TLDNAYMEKC DENILWLDYK DATA SEQUENCE NICKVVDVGS KVYVDDGLIS LQVKQKGPDF LVTEVENGGF LGSKKGVNLP DATA SEQUENCE GAAVDLPAVS EKDIQDLKFG VEQDVDMVFA SFIRKAADVH EVRKILGEKG DATA SEQUENCE KNIKIISKIE NHEGVRRFDE ILEASDGIMV ARGDLGIEIP AEKVFLAQKM DATA SEQUENCE IIGRCNRAGK PVICATQMLE SMIKKPRPTR AEGSDVANAV LDGADCIMLS DATA SEQUENCE GETAKGDYPL EAVRMQHLIA REAEAAMFHR KLFEELARSS SHSTDLMEAM DATA SEQUENCE AMGSVEASYK CLAAALIVLT ESGRSAHQVA RYRPRAPIIA VTRNHQTARQ DATA SEQUENCE AHLYRGIFPV VCKDPVQEAW AEDVDLRVNL AMNVGKARGF FKKGDVVIVL DATA SEQUENCE TGWRPGSGFT NTMRVVPVP 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 4212 I HA 0.000 nan 4.170 nan 0.000 0.288 4212 I C 0.000 176.105 176.117 -0.021 0.000 1.063 4212 I CA 0.000 61.278 61.300 -0.037 0.000 1.566 4212 I CB 0.000 37.983 38.000 -0.028 0.000 1.214 4213 Q N 2.817 122.604 119.800 -0.021 0.000 2.428 4213 Q HA 0.207 4.547 4.340 0.000 0.000 0.276 4213 Q C 0.428 176.437 176.000 0.014 0.000 1.059 4213 Q CA 0.536 56.340 55.803 0.003 0.000 0.923 4213 Q CB 1.064 29.814 28.738 0.020 0.000 1.283 4213 Q HN 0.730 nan 8.270 nan 0.000 0.447 4214 T N -1.134 113.433 114.554 0.022 0.000 2.897 4214 T HA 0.166 4.516 4.350 0.000 0.000 0.278 4214 T C 0.131 174.852 174.700 0.035 0.000 0.981 4214 T CA -0.785 61.329 62.100 0.025 0.000 0.973 4214 T CB 1.179 70.062 68.868 0.025 0.000 1.092 4214 T HN 0.751 nan 8.240 nan 0.000 0.543 4215 Q N 0.764 120.586 119.800 0.036 0.000 2.435 4215 Q HA -0.238 4.102 4.340 0.000 0.000 0.286 4215 Q C -0.270 175.768 176.000 0.064 0.000 1.229 4215 Q CA 0.580 56.413 55.803 0.050 0.000 0.884 4215 Q CB -1.304 27.465 28.738 0.051 0.000 1.245 4215 Q HN 0.761 nan 8.270 nan 0.000 0.488 4216 Q N -2.453 117.374 119.800 0.045 0.000 2.435 4216 Q HA -0.267 4.073 4.340 0.000 0.000 0.286 4216 Q C 0.533 176.573 176.000 0.067 0.000 1.229 4216 Q CA 1.491 57.315 55.803 0.035 0.000 0.884 4216 Q CB -1.871 26.876 28.738 0.015 0.000 1.245 4216 Q HN 0.705 nan 8.270 nan 0.000 0.488 4217 L N -0.962 120.308 121.223 0.078 0.000 2.275 4217 L HA -0.168 4.172 4.340 0.000 0.000 0.215 4217 L C 2.282 179.219 176.870 0.112 0.000 1.119 4217 L CA 1.463 56.356 54.840 0.088 0.000 0.790 4217 L CB -0.353 41.748 42.059 0.069 0.000 0.919 4217 L HN 0.340 nan 8.230 nan 0.000 0.443 4218 H N 0.192 119.261 119.070 -0.003 0.000 2.343 4218 H HA -0.027 4.529 4.556 0.000 0.000 0.303 4218 H C 2.119 177.433 175.328 -0.024 0.000 1.068 4218 H CA 1.367 57.405 56.048 -0.017 0.000 1.359 4218 H CB 0.139 29.879 29.762 -0.037 0.000 1.402 4218 H HN 0.199 nan 8.280 nan 0.000 0.515 4219 A N 0.916 123.642 122.820 -0.155 0.000 1.969 4219 A HA 0.008 4.328 4.320 0.000 0.000 0.218 4219 A C 2.578 180.158 177.584 -0.008 0.000 1.169 4219 A CA 1.467 53.340 52.037 -0.273 0.000 0.635 4219 A CB -1.223 17.515 19.000 -0.437 0.000 0.810 4219 A HN 0.584 nan 8.150 nan 0.000 0.445 4220 A N -0.594 122.286 122.820 0.099 0.000 2.024 4220 A HA -0.137 4.183 4.320 0.000 0.000 0.220 4220 A C 1.928 179.627 177.584 0.191 0.000 1.164 4220 A CA 1.875 54.036 52.037 0.205 0.000 0.643 4220 A CB -0.450 18.645 19.000 0.159 0.000 0.806 4220 A HN 0.470 nan 8.150 nan 0.000 0.451 4221 M N -0.390 119.258 119.600 0.080 0.000 2.556 4221 M HA 0.266 4.746 4.480 0.000 0.000 0.245 4221 M C 1.121 177.454 176.300 0.055 0.000 1.128 4221 M CA 0.027 55.366 55.300 0.066 0.000 1.069 4221 M CB -1.738 30.884 32.600 0.036 0.000 1.469 4221 M HN 0.348 nan 8.290 nan 0.000 0.494 4222 A N 1.436 124.263 122.820 0.012 0.000 2.448 4222 A HA 0.104 4.424 4.320 0.000 0.000 0.239 4222 A C 0.821 178.528 177.584 0.205 0.000 1.080 4222 A CA 0.069 52.104 52.037 -0.003 0.000 0.779 4222 A CB 0.350 19.253 19.000 -0.161 0.000 1.026 4222 A HN 0.307 nan 8.150 nan 0.000 0.499 4223 D N -0.575 119.915 120.400 0.150 0.000 2.262 4223 D HA 0.047 4.687 4.640 0.000 0.000 0.212 4223 D C 1.140 177.591 176.300 0.252 0.000 0.964 4223 D CA 1.831 55.939 54.000 0.181 0.000 0.875 4223 D CB -0.047 40.810 40.800 0.095 0.000 0.996 4223 D HN 0.750 nan 8.370 nan 0.000 0.497 4224 T N -2.713 111.973 114.554 0.221 0.000 2.938 4224 T HA 0.281 4.631 4.350 0.000 0.000 0.285 4224 T C 0.770 175.690 174.700 0.367 0.000 1.028 4224 T CA -0.855 61.405 62.100 0.268 0.000 1.005 4224 T CB 1.390 70.348 68.868 0.150 0.000 1.157 4224 T HN -0.135 nan 8.240 nan 0.000 0.550 4225 F N 0.592 120.692 119.950 0.250 0.000 2.163 4225 F HA 0.121 4.648 4.527 -0.000 0.000 0.297 4225 F C 1.862 177.694 175.800 0.053 0.000 1.094 4225 F CA 0.757 58.877 58.000 0.199 0.000 1.290 4225 F CB -0.622 38.495 39.000 0.195 0.000 1.017 4225 F HN 0.503 nan 8.300 nan 0.000 0.483 4226 L N 1.090 122.288 121.223 -0.041 0.000 1.989 4226 L HA -0.226 4.114 4.340 0.000 0.000 0.211 4226 L C 2.377 179.114 176.870 -0.222 0.000 1.071 4226 L CA 2.550 57.287 54.840 -0.171 0.000 0.749 4226 L CB -1.277 40.769 42.059 -0.022 0.000 0.890 4226 L HN 0.366 nan 8.230 nan 0.000 0.431 4227 E N -1.817 118.305 120.200 -0.130 0.000 2.160 4227 E HA -0.344 4.006 4.350 0.000 0.000 0.195 4227 E C 2.170 178.611 176.600 -0.264 0.000 0.991 4227 E CA 1.384 57.690 56.400 -0.156 0.000 0.810 4227 E CB -0.206 29.439 29.700 -0.092 0.000 0.742 4227 E HN 0.758 nan 8.360 nan 0.000 0.466 4228 H N -0.055 118.723 119.070 -0.487 0.000 2.293 4228 H HA -0.100 4.456 4.556 0.000 0.000 0.300 4228 H C 1.965 176.972 175.328 -0.534 0.000 1.082 4228 H CA 2.422 58.061 56.048 -0.681 0.000 1.308 4228 H CB -0.116 28.950 29.762 -1.161 0.000 1.375 4228 H HN 0.152 nan 8.280 nan 0.000 0.495 4229 M N -0.750 118.488 119.600 -0.603 0.000 2.065 4229 M HA -0.225 4.255 4.480 0.000 0.000 0.259 4229 M C 2.568 178.644 176.300 -0.373 0.000 1.069 4229 M CA 1.690 56.679 55.300 -0.518 0.000 1.110 4229 M CB -0.417 31.901 32.600 -0.470 0.000 1.328 4229 M HN 0.392 nan 8.290 nan 0.000 0.405 4230 C N -0.075 119.045 119.300 -0.300 0.000 2.401 4230 C HA -0.138 4.322 4.460 0.000 0.000 0.286 4230 C C 2.546 177.416 174.990 -0.198 0.000 1.332 4230 C CA 0.914 59.810 59.018 -0.204 0.000 1.795 4230 C CB -1.418 26.227 27.740 -0.159 0.000 1.922 4230 C HN 0.448 nan 8.230 nan 0.000 0.520 4231 R N -0.172 120.157 120.500 -0.286 0.000 2.276 4231 R HA 0.191 4.531 4.340 0.000 0.000 0.196 4231 R C 0.202 176.370 176.300 -0.219 0.000 0.961 4231 R CA -0.031 55.920 56.100 -0.249 0.000 1.024 4231 R CB -0.035 30.035 30.300 -0.384 0.000 0.940 4231 R HN 0.500 nan 8.270 nan 0.000 0.480 4232 L N 1.726 122.778 121.223 -0.285 0.000 2.499 4232 L HA 0.024 4.364 4.340 0.000 0.000 0.273 4232 L C -0.014 176.782 176.870 -0.122 0.000 1.195 4232 L CA 0.315 55.020 54.840 -0.225 0.000 0.882 4232 L CB 0.129 42.043 42.059 -0.242 0.000 1.133 4232 L HN -0.086 nan 8.230 nan 0.000 0.483 4233 D N 3.593 123.943 120.400 -0.082 0.000 2.471 4233 D HA 0.191 4.831 4.640 0.000 0.000 0.245 4233 D C 0.895 177.172 176.300 -0.039 0.000 1.116 4233 D CA -0.554 53.418 54.000 -0.048 0.000 0.853 4233 D CB 1.527 42.313 40.800 -0.022 0.000 1.123 4233 D HN 0.517 nan 8.370 nan 0.000 0.540 4234 I N 0.146 120.693 120.570 -0.038 0.000 2.850 4234 I HA -0.088 4.082 4.170 0.000 0.000 0.266 4234 I C 0.221 176.326 176.117 -0.021 0.000 1.257 4234 I CA 1.026 62.308 61.300 -0.029 0.000 1.465 4234 I CB 0.210 38.193 38.000 -0.028 0.000 1.091 4234 I HN 0.066 nan 8.210 nan 0.000 0.467 4235 D N 1.254 121.641 120.400 -0.020 0.000 2.350 4235 D HA 0.032 4.672 4.640 0.000 0.000 0.213 4235 D C 0.949 177.242 176.300 -0.011 0.000 1.031 4235 D CA 0.372 54.363 54.000 -0.015 0.000 0.861 4235 D CB 0.465 41.255 40.800 -0.017 0.000 0.926 4235 D HN 0.318 nan 8.370 nan 0.000 0.520 4236 S N 1.016 116.710 115.700 -0.010 0.000 2.411 4236 S HA 0.433 4.903 4.470 0.000 0.000 0.304 4236 S C 0.157 174.759 174.600 0.004 0.000 1.098 4236 S CA -0.741 57.458 58.200 -0.001 0.000 1.068 4236 S CB 0.295 63.498 63.200 0.004 0.000 1.032 4236 S HN 0.150 nan 8.310 nan 0.000 0.511 4237 A N 7.441 130.265 122.820 0.007 0.000 2.520 4237 A HA 0.476 4.796 4.320 0.000 0.000 0.245 4237 A C -1.994 175.601 177.584 0.018 0.000 1.072 4237 A CA -1.011 51.033 52.037 0.011 0.000 0.761 4237 A CB -0.270 18.738 19.000 0.013 0.000 1.004 4237 A HN 0.724 nan 8.150 nan 0.000 0.499 4238 P HA 0.349 nan 4.420 nan 0.000 0.274 4238 P C 0.077 177.391 177.300 0.023 0.000 1.256 4238 P CA -0.301 62.810 63.100 0.019 0.000 0.795 4238 P CB 0.426 32.129 31.700 0.005 0.000 1.038 4239 I N -2.632 117.951 120.570 0.023 0.000 3.110 4239 I HA 0.288 4.458 4.170 0.000 0.000 0.314 4239 I C 1.306 177.445 176.117 0.036 0.000 1.020 4239 I CA -0.572 60.744 61.300 0.026 0.000 1.169 4239 I CB 0.272 38.277 38.000 0.009 0.000 1.437 4239 I HN 0.287 nan 8.210 nan 0.000 0.595 4240 T N 0.855 115.449 114.554 0.067 0.000 2.708 4240 T HA 0.028 4.378 4.350 0.000 0.000 0.266 4240 T C 1.084 175.881 174.700 0.161 0.000 1.037 4240 T CA 0.715 62.895 62.100 0.134 0.000 1.146 4240 T CB -0.614 68.366 68.868 0.185 0.000 0.865 4240 T HN 0.795 nan 8.240 nan 0.000 0.435 4241 A N 2.156 124.976 122.820 -0.001 0.000 2.488 4241 A HA 0.474 4.794 4.320 0.000 0.000 0.249 4241 A C 0.513 178.142 177.584 0.075 0.000 1.083 4241 A CA -0.491 51.442 52.037 -0.174 0.000 0.768 4241 A CB 0.049 18.436 19.000 -1.021 0.000 1.017 4241 A HN 0.398 nan 8.150 nan 0.000 0.496 4242 R N 2.820 123.515 120.500 0.325 0.000 2.360 4242 R HA 0.213 4.553 4.340 0.000 0.000 0.318 4242 R C -0.203 176.237 176.300 0.234 0.000 0.950 4242 R CA -0.303 55.921 56.100 0.207 0.000 0.837 4242 R CB 0.569 30.906 30.300 0.062 0.000 1.165 4242 R HN 0.976 nan 8.270 nan 0.000 0.458 4243 N N 0.750 119.521 118.700 0.117 0.000 2.216 4243 N HA -0.061 4.679 4.740 0.000 0.000 0.183 4243 N C -0.247 175.227 175.510 -0.060 0.000 1.017 4243 N CA 0.876 53.937 53.050 0.018 0.000 0.861 4243 N CB 0.158 38.690 38.487 0.076 0.000 0.986 4243 N HN 0.481 nan 8.380 nan 0.000 0.428 4244 T N 1.021 115.562 114.554 -0.021 0.000 2.784 4244 T HA 0.205 4.555 4.350 0.000 0.000 0.291 4244 T C 0.675 175.343 174.700 -0.052 0.000 0.942 4244 T CA -0.488 61.593 62.100 -0.032 0.000 1.161 4244 T CB 0.969 69.827 68.868 -0.018 0.000 0.885 4244 T HN 0.153 nan 8.240 nan 0.000 0.534 4245 G N 2.792 111.551 108.800 -0.069 0.000 2.398 4245 G HA2 0.467 4.427 3.960 0.000 0.000 0.246 4245 G HA3 0.467 4.427 3.960 0.000 0.000 0.246 4245 G C -0.359 174.500 174.900 -0.068 0.000 1.289 4245 G CA -0.571 44.477 45.100 -0.087 0.000 0.869 4245 G HN 0.769 nan 8.290 nan 0.000 0.543 4246 I N 2.167 122.689 120.570 -0.079 0.000 2.355 4246 I HA 0.289 4.459 4.170 0.000 0.000 0.288 4246 I C -0.227 175.866 176.117 -0.040 0.000 0.999 4246 I CA -0.419 60.855 61.300 -0.043 0.000 1.163 4246 I CB 1.688 39.680 38.000 -0.013 0.000 1.316 4246 I HN 0.263 nan 8.210 nan 0.000 0.454 4247 I N 6.100 126.664 120.570 -0.009 0.000 2.321 4247 I HA 0.314 4.484 4.170 0.000 0.000 0.291 4247 I C -0.690 175.458 176.117 0.051 0.000 0.998 4247 I CA -0.290 61.032 61.300 0.037 0.000 1.227 4247 I CB 1.008 39.050 38.000 0.070 0.000 1.368 4247 I HN 0.495 nan 8.210 nan 0.000 0.466 4248 C N 4.193 123.530 119.300 0.061 0.000 2.301 4248 C HA 0.335 4.795 4.460 0.000 0.000 0.323 4248 C C 0.727 175.772 174.990 0.092 0.000 1.265 4248 C CA -0.678 58.379 59.018 0.065 0.000 1.503 4248 C CB 0.643 28.412 27.740 0.047 0.000 2.195 4248 C HN 0.677 nan 8.230 nan 0.000 0.477 4249 T N 5.560 120.176 114.554 0.104 0.000 2.784 4249 T HA 0.157 4.507 4.350 0.000 0.000 0.291 4249 T C 0.472 175.242 174.700 0.117 0.000 0.942 4249 T CA 0.244 62.420 62.100 0.128 0.000 1.161 4249 T CB -0.233 68.713 68.868 0.131 0.000 0.885 4249 T HN 0.373 nan 8.240 nan 0.000 0.534 4250 I N 3.755 124.403 120.570 0.130 0.000 2.395 4250 I HA 0.573 4.743 4.170 0.000 0.000 0.289 4250 I C 0.983 177.207 176.117 0.179 0.000 1.023 4250 I CA -0.021 61.355 61.300 0.126 0.000 1.350 4250 I CB 0.542 38.606 38.000 0.107 0.000 1.409 4250 I HN 0.773 nan 8.210 nan 0.000 0.507 4251 G N 6.758 115.648 108.800 0.150 0.000 2.753 4251 G HA2 0.435 4.395 3.960 0.000 0.000 0.303 4251 G HA3 0.435 4.395 3.960 0.000 0.000 0.303 4251 G C -2.544 172.446 174.900 0.150 0.000 1.242 4251 G CA -0.298 44.928 45.100 0.209 0.000 0.810 4251 G HN 0.247 nan 8.290 nan 0.000 0.515 4252 P HA -0.088 nan 4.420 nan 0.000 0.217 4252 P C 1.890 179.224 177.300 0.056 0.000 1.151 4252 P CA 2.562 65.736 63.100 0.124 0.000 0.849 4252 P CB 0.037 31.794 31.700 0.094 0.000 0.787 4253 A N -0.629 122.216 122.820 0.042 0.000 2.016 4253 A HA -0.038 4.282 4.320 0.000 0.000 0.217 4253 A C 1.909 179.504 177.584 0.019 0.000 1.162 4253 A CA 1.782 53.828 52.037 0.016 0.000 0.662 4253 A CB -0.781 18.221 19.000 0.004 0.000 0.812 4253 A HN 0.339 nan 8.150 nan 0.000 0.450 4254 S N -2.040 113.681 115.700 0.035 0.000 2.733 4254 S HA 0.239 4.709 4.470 0.000 0.000 0.247 4254 S C 1.292 175.909 174.600 0.029 0.000 1.043 4254 S CA -0.267 57.953 58.200 0.033 0.000 1.066 4254 S CB 0.020 63.247 63.200 0.044 0.000 1.045 4254 S HN 0.488 nan 8.310 nan 0.000 0.586 4255 R N 2.728 123.239 120.500 0.018 0.000 2.120 4255 R HA -0.005 4.335 4.340 0.000 0.000 0.234 4255 R C 0.906 177.195 176.300 -0.019 0.000 1.123 4255 R CA 1.191 57.282 56.100 -0.016 0.000 0.975 4255 R CB -0.271 29.986 30.300 -0.072 0.000 0.866 4255 R HN 0.604 nan 8.270 nan 0.000 0.446 4256 S N -0.367 115.328 115.700 -0.008 0.000 2.572 4256 S HA 0.021 4.491 4.470 0.000 0.000 0.279 4256 S C 1.443 176.048 174.600 0.008 0.000 1.341 4256 S CA -0.758 57.439 58.200 -0.005 0.000 1.043 4256 S CB 1.699 64.898 63.200 -0.003 0.000 0.887 4256 S HN -0.100 nan 8.310 nan 0.000 0.516 4257 V N 1.936 121.853 119.914 0.005 0.000 2.469 4257 V HA -0.155 3.965 4.120 0.000 0.000 0.251 4257 V C 2.741 178.848 176.094 0.022 0.000 1.064 4257 V CA 2.224 64.533 62.300 0.015 0.000 1.066 4257 V CB -1.005 30.822 31.823 0.005 0.000 0.667 4257 V HN 1.005 nan 8.190 nan 0.000 0.461 4258 E N -0.385 119.824 120.200 0.015 0.000 2.047 4258 E HA -0.184 4.166 4.350 0.000 0.000 0.191 4258 E C 2.327 178.946 176.600 0.032 0.000 0.987 4258 E CA 1.734 58.146 56.400 0.019 0.000 0.799 4258 E CB -0.076 29.630 29.700 0.010 0.000 0.752 4258 E HN 0.569 nan 8.360 nan 0.000 0.449 4259 T N 1.471 116.041 114.554 0.027 0.000 2.777 4259 T HA -0.104 4.246 4.350 0.000 0.000 0.266 4259 T C 1.947 176.673 174.700 0.043 0.000 1.040 4259 T CA 0.707 62.826 62.100 0.030 0.000 1.141 4259 T CB -0.155 68.725 68.868 0.020 0.000 0.868 4259 T HN 0.100 nan 8.240 nan 0.000 0.444 4260 L N 0.739 121.991 121.223 0.047 0.000 2.012 4260 L HA -0.180 4.160 4.340 0.000 0.000 0.210 4260 L C 2.632 179.558 176.870 0.093 0.000 1.073 4260 L CA 1.565 56.442 54.840 0.061 0.000 0.748 4260 L CB -0.505 41.589 42.059 0.059 0.000 0.891 4260 L HN 0.266 nan 8.230 nan 0.000 0.431 4261 K N -0.521 119.952 120.400 0.122 0.000 2.103 4261 K HA -0.190 4.130 4.320 0.000 0.000 0.207 4261 K C 1.951 178.654 176.600 0.171 0.000 1.048 4261 K CA 1.098 57.518 56.287 0.222 0.000 0.930 4261 K CB -0.169 32.457 32.500 0.210 0.000 0.716 4261 K HN 0.259 nan 8.250 nan 0.000 0.444 4262 E N 0.415 120.677 120.200 0.102 0.000 2.208 4262 E HA -0.053 4.297 4.350 0.000 0.000 0.193 4262 E C 1.983 178.603 176.600 0.033 0.000 0.988 4262 E CA 0.822 57.261 56.400 0.064 0.000 0.828 4262 E CB 0.032 29.762 29.700 0.050 0.000 0.763 4262 E HN 0.337 nan 8.360 nan 0.000 0.478 4263 M N -0.169 119.452 119.600 0.036 0.000 2.156 4263 M HA -0.042 4.438 4.480 0.000 0.000 0.264 4263 M C 2.458 178.751 176.300 -0.012 0.000 1.067 4263 M CA 0.962 56.271 55.300 0.016 0.000 1.131 4263 M CB -0.718 31.898 32.600 0.026 0.000 1.368 4263 M HN 0.063 nan 8.290 nan 0.000 0.416 4264 I N 0.523 121.091 120.570 -0.004 0.000 2.113 4264 I HA -0.321 3.849 4.170 0.000 0.000 0.238 4264 I C 2.564 178.603 176.117 -0.130 0.000 1.070 4264 I CA 1.468 62.731 61.300 -0.062 0.000 1.332 4264 I CB -0.391 37.584 38.000 -0.042 0.000 1.044 4264 I HN 0.266 nan 8.210 nan 0.000 0.402 4265 K N 0.432 120.753 120.400 -0.132 0.000 2.059 4265 K HA -0.219 4.101 4.320 0.000 0.000 0.212 4265 K C 2.227 178.748 176.600 -0.131 0.000 1.050 4265 K CA 2.090 58.285 56.287 -0.154 0.000 0.927 4265 K CB -0.189 32.274 32.500 -0.061 0.000 0.714 4265 K HN 0.159 nan 8.250 nan 0.000 0.447 4266 S N -1.575 114.070 115.700 -0.090 0.000 2.399 4266 S HA -0.078 4.392 4.470 0.000 0.000 0.231 4266 S C 1.362 175.875 174.600 -0.145 0.000 1.022 4266 S CA 1.324 59.464 58.200 -0.100 0.000 0.983 4266 S CB 0.174 63.349 63.200 -0.042 0.000 0.803 4266 S HN 0.684 nan 8.310 nan 0.000 0.480 4267 G N 0.134 108.868 108.800 -0.110 0.000 2.902 4267 G HA2 -0.128 3.832 3.960 0.000 0.000 0.215 4267 G HA3 -0.128 3.832 3.960 0.000 0.000 0.215 4267 G C 0.166 175.028 174.900 -0.062 0.000 0.976 4267 G CA -0.099 44.952 45.100 -0.082 0.000 0.794 4267 G HN 0.407 nan 8.290 nan 0.000 0.557 4268 M N 1.056 120.619 119.600 -0.062 0.000 2.250 4268 M HA 0.312 4.792 4.480 0.000 0.000 0.337 4268 M C 0.617 176.831 176.300 -0.143 0.000 1.161 4268 M CA 1.274 56.531 55.300 -0.071 0.000 1.088 4268 M CB 0.261 32.843 32.600 -0.031 0.000 1.639 4268 M HN 0.185 nan 8.290 nan 0.000 0.447 4269 N N 2.324 120.895 118.700 -0.216 0.000 2.325 4269 N HA 0.244 4.984 4.740 0.000 0.000 0.220 4269 N C -1.175 174.172 175.510 -0.271 0.000 1.176 4269 N CA -0.301 52.461 53.050 -0.480 0.000 0.861 4269 N CB 1.217 39.190 38.487 -0.856 0.000 1.230 4269 N HN 0.447 nan 8.380 nan 0.000 0.479 4270 V N 0.706 120.555 119.914 -0.108 0.000 2.760 4270 V HA 0.775 4.895 4.120 0.000 0.000 0.309 4270 V C -1.156 174.963 176.094 0.041 0.000 1.077 4270 V CA -1.197 61.110 62.300 0.011 0.000 0.910 4270 V CB 1.769 33.641 31.823 0.082 0.000 1.008 4270 V HN 0.088 nan 8.190 nan 0.000 0.424 4271 A N 4.060 126.911 122.820 0.052 0.000 2.273 4271 A HA 0.793 5.113 4.320 0.000 0.000 0.315 4271 A C -0.209 177.411 177.584 0.061 0.000 1.256 4271 A CA -0.635 51.438 52.037 0.061 0.000 0.851 4271 A CB 0.657 19.689 19.000 0.053 0.000 1.172 4271 A HN 0.915 nan 8.150 nan 0.000 0.508 4272 R N 2.789 123.350 120.500 0.102 0.000 2.265 4272 R HA 0.642 4.982 4.340 0.000 0.000 0.319 4272 R C -1.266 175.092 176.300 0.097 0.000 1.006 4272 R CA -0.408 55.752 56.100 0.100 0.000 0.880 4272 R CB 0.634 31.085 30.300 0.251 0.000 1.077 4272 R HN 0.545 nan 8.270 nan 0.000 0.454 4273 M N 3.866 123.490 119.600 0.040 0.000 2.072 4273 M HA 0.256 4.736 4.480 0.000 0.000 0.331 4273 M C -0.586 175.733 176.300 0.032 0.000 1.004 4273 M CA -0.535 54.757 55.300 -0.014 0.000 0.952 4273 M CB 1.500 34.016 32.600 -0.141 0.000 1.511 4273 M HN 0.444 nan 8.290 nan 0.000 0.422 4274 N N 2.232 121.016 118.700 0.140 0.000 2.402 4274 N HA 0.134 4.874 4.740 0.000 0.000 0.252 4274 N C -0.200 175.507 175.510 0.327 0.000 1.118 4274 N CA 0.085 53.298 53.050 0.272 0.000 0.945 4274 N CB 0.244 38.935 38.487 0.340 0.000 1.147 4274 N HN 0.479 nan 8.380 nan 0.000 0.495 4275 F N 1.121 121.121 119.950 0.083 0.000 2.771 4275 F HA 0.051 4.578 4.527 0.000 0.000 0.299 4275 F C 2.124 177.997 175.800 0.121 0.000 1.177 4275 F CA 0.280 58.381 58.000 0.168 0.000 1.450 4275 F CB -0.005 39.079 39.000 0.140 0.000 1.114 4275 F HN 0.438 nan 8.300 nan 0.000 0.587 4276 S N -1.663 114.131 115.700 0.158 0.000 2.561 4276 S HA 0.010 4.480 4.470 0.000 0.000 0.225 4276 S C 0.413 174.759 174.600 -0.424 0.000 0.977 4276 S CA 0.355 58.497 58.200 -0.097 0.000 0.926 4276 S CB -0.271 62.839 63.200 -0.150 0.000 0.769 4276 S HN 0.276 nan 8.310 nan 0.000 0.533 4277 H N -0.954 118.194 119.070 0.130 0.000 2.907 4277 H HA 0.527 5.083 4.556 0.000 0.000 0.361 4277 H C 0.776 176.022 175.328 -0.136 0.000 1.194 4277 H CA -0.105 55.945 56.048 0.004 0.000 1.152 4277 H CB 0.900 30.658 29.762 -0.007 0.000 1.867 4277 H HN 0.284 nan 8.280 nan 0.000 0.561 4278 G N 0.495 109.145 108.800 -0.250 0.000 2.692 4278 G HA2 -0.183 3.777 3.960 0.000 0.000 0.248 4278 G HA3 -0.183 3.777 3.960 0.000 0.000 0.248 4278 G C -0.150 174.510 174.900 -0.400 0.000 1.340 4278 G CA 0.108 44.842 45.100 -0.609 0.000 0.896 4278 G HN 0.987 nan 8.290 nan 0.000 0.570 4279 T N -4.941 109.376 114.554 -0.395 0.000 2.906 4279 T HA 0.683 5.033 4.350 0.000 0.000 0.295 4279 T C 0.944 175.522 174.700 -0.203 0.000 1.075 4279 T CA 0.373 62.323 62.100 -0.251 0.000 1.005 4279 T CB 1.727 70.500 68.868 -0.157 0.000 1.136 4279 T HN 0.748 nan 8.240 nan 0.000 0.498 4280 H N -0.026 118.828 119.070 -0.359 0.000 2.394 4280 H HA -0.154 4.402 4.556 0.000 0.000 0.297 4280 H C 2.115 177.313 175.328 -0.216 0.000 1.113 4280 H CA 1.796 57.483 56.048 -0.603 0.000 1.277 4280 H CB 0.347 29.574 29.762 -0.891 0.000 1.370 4280 H HN 0.855 nan 8.280 nan 0.000 0.506 4281 E N 0.456 120.675 120.200 0.032 0.000 2.106 4281 E HA -0.215 4.135 4.350 0.000 0.000 0.192 4281 E C 1.864 178.519 176.600 0.091 0.000 0.984 4281 E CA 0.802 57.253 56.400 0.084 0.000 0.806 4281 E CB -0.088 29.642 29.700 0.050 0.000 0.750 4281 E HN 0.494 nan 8.360 nan 0.000 0.458 4282 Y N 0.851 121.079 120.300 -0.120 0.000 2.133 4282 Y HA -0.231 4.319 4.550 0.000 0.000 0.287 4282 Y C 2.390 178.231 175.900 -0.097 0.000 1.134 4282 Y CA 2.178 60.172 58.100 -0.176 0.000 1.133 4282 Y CB -0.358 37.872 38.460 -0.384 0.000 0.987 4282 Y HN 0.180 nan 8.280 nan 0.000 0.502 4283 H N -0.285 118.868 119.070 0.139 0.000 2.319 4283 H HA -0.177 4.379 4.556 0.000 0.000 0.297 4283 H C 2.356 177.808 175.328 0.207 0.000 1.097 4283 H CA 1.386 57.513 56.048 0.131 0.000 1.285 4283 H CB -1.065 28.686 29.762 -0.017 0.000 1.368 4283 H HN 0.492 nan 8.280 nan 0.000 0.495 4284 A N 0.817 123.910 122.820 0.454 0.000 1.917 4284 A HA -0.251 4.069 4.320 0.000 0.000 0.219 4284 A C 2.410 180.095 177.584 0.169 0.000 1.182 4284 A CA 2.095 54.354 52.037 0.370 0.000 0.633 4284 A CB -0.535 18.715 19.000 0.417 0.000 0.819 4284 A HN 0.566 nan 8.150 nan 0.000 0.448 4285 E N -1.154 119.100 120.200 0.091 0.000 2.072 4285 E HA -0.124 4.226 4.350 0.000 0.000 0.190 4285 E C 2.024 178.609 176.600 -0.025 0.000 0.982 4285 E CA 1.401 57.804 56.400 0.005 0.000 0.803 4285 E CB -0.090 29.578 29.700 -0.054 0.000 0.755 4285 E HN 0.592 nan 8.360 nan 0.000 0.453 4286 T N 1.495 116.018 114.554 -0.051 0.000 2.652 4286 T HA -0.171 4.179 4.350 0.000 0.000 0.267 4286 T C 1.916 176.640 174.700 0.040 0.000 1.039 4286 T CA 1.407 63.488 62.100 -0.031 0.000 1.153 4286 T CB -0.260 68.625 68.868 0.029 0.000 0.863 4286 T HN 0.175 nan 8.240 nan 0.000 0.428 4287 I N 1.158 121.783 120.570 0.092 0.000 2.151 4287 I HA -0.272 3.898 4.170 0.000 0.000 0.243 4287 I C 2.672 178.823 176.117 0.058 0.000 1.080 4287 I CA 1.579 62.929 61.300 0.085 0.000 1.339 4287 I CB -0.381 37.681 38.000 0.104 0.000 1.039 4287 I HN 0.264 nan 8.210 nan 0.000 0.409 4288 K N 1.396 121.827 120.400 0.052 0.000 2.103 4288 K HA -0.235 4.085 4.320 0.000 0.000 0.207 4288 K C 1.625 178.245 176.600 0.033 0.000 1.048 4288 K CA 2.247 58.557 56.287 0.039 0.000 0.930 4288 K CB -0.261 32.260 32.500 0.034 0.000 0.716 4288 K HN 0.478 nan 8.250 nan 0.000 0.444 4289 N N -0.013 118.701 118.700 0.025 0.000 2.171 4289 N HA -0.117 4.623 4.740 0.000 0.000 0.184 4289 N C 1.805 177.339 175.510 0.040 0.000 1.021 4289 N CA 0.986 54.049 53.050 0.022 0.000 0.854 4289 N CB 0.028 38.517 38.487 0.003 0.000 0.994 4289 N HN -0.070 nan 8.380 nan 0.000 0.426 4290 V N 1.880 121.822 119.914 0.048 0.000 2.287 4290 V HA -0.259 3.861 4.120 0.000 0.000 0.248 4290 V C 2.254 178.396 176.094 0.080 0.000 1.053 4290 V CA 1.706 64.044 62.300 0.064 0.000 1.027 4290 V CB -0.496 31.365 31.823 0.064 0.000 0.646 4290 V HN 0.302 nan 8.190 nan 0.000 0.447 4291 R N -0.458 120.086 120.500 0.073 0.000 2.081 4291 R HA -0.148 4.192 4.340 0.000 0.000 0.235 4291 R C 2.359 178.712 176.300 0.089 0.000 1.131 4291 R CA 1.919 58.071 56.100 0.087 0.000 0.960 4291 R CB -0.882 29.460 30.300 0.070 0.000 0.856 4291 R HN 0.527 nan 8.270 nan 0.000 0.436 4292 T N 1.256 115.847 114.554 0.062 0.000 2.622 4292 T HA -0.197 4.153 4.350 0.000 0.000 0.266 4292 T C 2.037 176.768 174.700 0.051 0.000 1.047 4292 T CA 1.642 63.769 62.100 0.044 0.000 1.159 4292 T CB -0.400 68.483 68.868 0.025 0.000 0.863 4292 T HN 0.410 nan 8.240 nan 0.000 0.422 4293 A N 1.318 124.178 122.820 0.066 0.000 1.873 4293 A HA -0.197 4.123 4.320 0.000 0.000 0.218 4293 A C 2.588 180.281 177.584 0.183 0.000 1.193 4293 A CA 2.467 54.560 52.037 0.094 0.000 0.629 4293 A CB -1.465 17.598 19.000 0.105 0.000 0.826 4293 A HN 0.498 nan 8.150 nan 0.000 0.447 4294 T N -0.022 114.654 114.554 0.203 0.000 2.643 4294 T HA -0.115 4.235 4.350 0.000 0.000 0.264 4294 T C 1.748 176.682 174.700 0.391 0.000 1.045 4294 T CA 1.504 63.775 62.100 0.284 0.000 1.155 4294 T CB -0.324 68.672 68.868 0.213 0.000 0.863 4294 T HN 0.477 nan 8.240 nan 0.000 0.420 4295 E N 1.413 121.779 120.200 0.276 0.000 2.331 4295 E HA -0.093 4.257 4.350 0.000 0.000 0.199 4295 E C 2.398 179.075 176.600 0.129 0.000 1.008 4295 E CA 0.730 57.268 56.400 0.230 0.000 0.843 4295 E CB -0.595 29.174 29.700 0.116 0.000 0.761 4295 E HN 0.569 nan 8.360 nan 0.000 0.507 4296 S N -0.045 115.681 115.700 0.042 0.000 2.402 4296 S HA -0.168 4.302 4.470 0.000 0.000 0.233 4296 S C 1.582 175.975 174.600 -0.345 0.000 1.030 4296 S CA 0.941 59.013 58.200 -0.214 0.000 1.003 4296 S CB -0.294 62.673 63.200 -0.390 0.000 0.813 4296 S HN 0.213 nan 8.310 nan 0.000 0.477 4297 F N 1.112 121.162 119.950 0.165 0.000 2.746 4297 F HA 0.542 5.069 4.527 0.000 0.000 0.297 4297 F C 2.377 178.330 175.800 0.255 0.000 1.113 4297 F CA 0.032 58.150 58.000 0.197 0.000 1.367 4297 F CB -0.411 38.712 39.000 0.205 0.000 1.111 4297 F HN 0.271 nan 8.300 nan 0.000 0.590 4298 A N 0.257 123.274 122.820 0.329 0.000 2.178 4298 A HA -0.183 4.137 4.320 0.000 0.000 0.218 4298 A C 2.339 179.879 177.584 -0.074 0.000 1.157 4298 A CA 1.581 53.524 52.037 -0.157 0.000 0.689 4298 A CB -1.050 17.649 19.000 -0.503 0.000 0.787 4298 A HN 0.398 nan 8.150 nan 0.000 0.465 4299 S N -0.577 115.132 115.700 0.017 0.000 2.407 4299 S HA -0.183 4.287 4.470 0.000 0.000 0.235 4299 S C 0.590 175.204 174.600 0.022 0.000 1.036 4299 S CA 1.319 59.522 58.200 0.004 0.000 1.013 4299 S CB -0.326 62.876 63.200 0.004 0.000 0.820 4299 S HN 0.582 nan 8.310 nan 0.000 0.476 4300 D N 1.398 121.844 120.400 0.076 0.000 2.469 4300 D HA 0.418 5.058 4.640 0.000 0.000 0.251 4300 D C -2.067 174.302 176.300 0.116 0.000 1.173 4300 D CA -2.530 51.520 54.000 0.083 0.000 0.882 4300 D CB 1.925 42.783 40.800 0.096 0.000 1.129 4300 D HN -0.087 nan 8.370 nan 0.000 0.549 4301 P HA -0.103 nan 4.420 nan 0.000 0.219 4301 P C 1.280 178.642 177.300 0.103 0.000 1.146 4301 P CA 0.704 63.847 63.100 0.072 0.000 0.808 4301 P CB 0.384 32.097 31.700 0.022 0.000 0.779 4302 I N -1.640 118.971 120.570 0.067 0.000 3.030 4302 I HA 0.001 4.171 4.170 0.000 0.000 0.270 4302 I C 1.975 178.101 176.117 0.015 0.000 1.211 4302 I CA 0.678 61.997 61.300 0.031 0.000 1.479 4302 I CB -0.700 37.301 38.000 0.002 0.000 1.105 4302 I HN -0.003 nan 8.210 nan 0.000 0.447 4303 L N -0.253 121.006 121.223 0.060 0.000 2.640 4303 L HA 0.121 4.461 4.340 0.000 0.000 0.230 4303 L C 0.322 177.242 176.870 0.082 0.000 1.123 4303 L CA 0.061 54.925 54.840 0.040 0.000 0.900 4303 L CB -0.225 41.877 42.059 0.071 0.000 1.146 4303 L HN 0.123 nan 8.230 nan 0.000 0.484 4304 Y N 2.196 122.512 120.300 0.027 0.000 2.377 4304 Y HA 0.266 4.816 4.550 0.000 0.000 0.330 4304 Y C 0.087 176.010 175.900 0.038 0.000 1.108 4304 Y CA -0.227 57.910 58.100 0.061 0.000 1.308 4304 Y CB 0.412 38.920 38.460 0.080 0.000 1.216 4304 Y HN 0.007 nan 8.280 nan 0.000 0.518 4305 R N 7.425 127.502 120.500 -0.706 0.000 2.439 4305 R HA 0.381 4.721 4.340 0.000 0.000 0.310 4305 R C -2.748 173.180 176.300 -0.619 0.000 0.955 4305 R CA -2.029 53.768 56.100 -0.505 0.000 0.853 4305 R CB 1.176 31.337 30.300 -0.233 0.000 1.171 4305 R HN 0.489 nan 8.270 nan 0.000 0.449 4306 P HA 0.093 nan 4.420 nan 0.000 0.271 4306 P C -0.768 176.619 177.300 0.145 0.000 1.216 4306 P CA -0.241 62.797 63.100 -0.104 0.000 0.771 4306 P CB 0.951 32.646 31.700 -0.009 0.000 0.864 4307 V N 2.566 122.546 119.914 0.111 0.000 2.531 4307 V HA 0.588 4.708 4.120 0.000 0.000 0.301 4307 V C 0.297 176.474 176.094 0.138 0.000 1.034 4307 V CA -0.914 61.458 62.300 0.119 0.000 0.865 4307 V CB 1.589 33.442 31.823 0.050 0.000 0.995 4307 V HN 0.654 nan 8.190 nan 0.000 0.424 4308 A N 4.412 127.327 122.820 0.158 0.000 2.304 4308 A HA 0.824 5.144 4.320 0.000 0.000 0.271 4308 A C -0.450 177.170 177.584 0.060 0.000 1.091 4308 A CA -0.419 51.691 52.037 0.121 0.000 0.812 4308 A CB 1.047 20.143 19.000 0.160 0.000 1.056 4308 A HN 0.805 nan 8.150 nan 0.000 0.489 4309 V N 0.929 120.856 119.914 0.021 0.000 2.443 4309 V HA 0.624 4.744 4.120 0.000 0.000 0.293 4309 V C 0.285 176.308 176.094 -0.118 0.000 1.021 4309 V CA -0.181 62.103 62.300 -0.026 0.000 0.848 4309 V CB 0.879 32.693 31.823 -0.014 0.000 0.998 4309 V HN 1.207 nan 8.190 nan 0.000 0.424 4310 A N 5.005 127.696 122.820 -0.215 0.000 2.340 4310 A HA 0.930 5.250 4.320 0.000 0.000 0.331 4310 A C -1.035 176.274 177.584 -0.457 0.000 1.140 4310 A CA -0.636 51.090 52.037 -0.519 0.000 0.801 4310 A CB 1.527 19.875 19.000 -1.087 0.000 1.234 4310 A HN 0.868 nan 8.150 nan 0.000 0.469 4311 L N 1.802 122.725 121.223 -0.499 0.000 2.305 4311 L HA 0.427 4.767 4.340 0.000 0.000 0.284 4311 L C -0.999 175.689 176.870 -0.302 0.000 1.013 4311 L CA -0.537 54.097 54.840 -0.343 0.000 0.819 4311 L CB 1.302 43.121 42.059 -0.398 0.000 1.227 4311 L HN 0.749 nan 8.230 nan 0.000 0.417 4312 D N 3.275 123.627 120.400 -0.080 0.000 2.280 4312 D HA 0.192 4.832 4.640 0.000 0.000 0.236 4312 D C -0.559 175.814 176.300 0.122 0.000 1.082 4312 D CA -0.165 53.886 54.000 0.086 0.000 0.834 4312 D CB 1.772 42.707 40.800 0.225 0.000 1.100 4312 D HN 0.412 nan 8.370 nan 0.000 0.486 4313 T N 3.068 117.682 114.554 0.100 0.000 2.899 4313 T HA 0.115 4.465 4.350 0.000 0.000 0.295 4313 T C 1.542 176.341 174.700 0.164 0.000 1.033 4313 T CA -0.245 61.917 62.100 0.103 0.000 1.084 4313 T CB 1.307 70.221 68.868 0.077 0.000 0.979 4313 T HN 0.322 nan 8.240 nan 0.000 0.532 4314 K N 1.671 122.171 120.400 0.166 0.000 1.991 4314 K HA 0.267 4.587 4.320 0.000 0.000 0.207 4314 K C 1.336 178.031 176.600 0.158 0.000 1.045 4314 K CA 0.607 56.987 56.287 0.155 0.000 0.937 4314 K CB -0.446 32.134 32.500 0.132 0.000 0.720 4314 K HN 0.901 nan 8.250 nan 0.000 0.438 4315 G N 1.114 109.993 108.800 0.132 0.000 2.750 4315 G HA2 -0.186 3.774 3.960 0.000 0.000 0.228 4315 G HA3 -0.186 3.774 3.960 0.000 0.000 0.228 4315 G C -2.546 172.383 174.900 0.049 0.000 1.367 4315 G CA -0.452 44.727 45.100 0.132 0.000 0.871 4315 G HN 0.094 nan 8.290 nan 0.000 0.560 4316 P HA 0.180 nan 4.420 nan 0.000 0.237 4316 P C 0.190 177.278 177.300 -0.354 0.000 1.701 4316 P CA 0.721 63.740 63.100 -0.136 0.000 0.955 4316 P CB -0.799 30.817 31.700 -0.139 0.000 1.937 4317 E N 0.363 120.419 120.200 -0.239 0.000 2.243 4317 E HA 0.571 4.921 4.350 0.000 0.000 0.260 4317 E C -0.616 175.875 176.600 -0.182 0.000 0.985 4317 E CA -1.233 54.987 56.400 -0.300 0.000 0.858 4317 E CB 1.387 31.019 29.700 -0.114 0.000 1.210 4317 E HN 0.038 nan 8.360 nan 0.000 0.411 4318 I N 1.520 121.980 120.570 -0.185 0.000 2.354 4318 I HA 0.346 4.516 4.170 0.000 0.000 0.286 4318 I C 0.193 176.268 176.117 -0.069 0.000 1.007 4318 I CA -0.669 60.555 61.300 -0.126 0.000 1.167 4318 I CB 0.933 38.821 38.000 -0.186 0.000 1.320 4318 I HN 0.319 nan 8.210 nan 0.000 0.458 4319 R N 3.346 123.814 120.500 -0.053 0.000 2.758 4319 R HA 0.623 4.963 4.340 0.000 0.000 0.265 4319 R C -0.293 175.972 176.300 -0.058 0.000 1.016 4319 R CA -0.649 55.435 56.100 -0.027 0.000 1.040 4319 R CB 2.478 32.776 30.300 -0.004 0.000 1.152 4319 R HN 0.439 nan 8.270 nan 0.000 0.503 4320 T N -0.413 114.146 114.554 0.009 0.000 2.912 4320 T HA 0.452 4.802 4.350 0.000 0.000 0.280 4320 T C 0.251 175.063 174.700 0.187 0.000 0.989 4320 T CA -0.423 61.695 62.100 0.029 0.000 0.995 4320 T CB 1.497 70.405 68.868 0.067 0.000 1.077 4320 T HN 0.676 nan 8.240 nan 0.000 0.531 4321 G N 0.176 109.208 108.800 0.386 0.000 2.537 4321 G HA2 0.566 4.526 3.960 0.000 0.000 0.297 4321 G HA3 0.566 4.526 3.960 0.000 0.000 0.297 4321 G C -0.661 174.418 174.900 0.299 0.000 1.310 4321 G CA -0.772 44.708 45.100 0.633 0.000 1.027 4321 G HN 0.688 nan 8.290 nan 0.000 0.505 4322 L N 0.837 122.176 121.223 0.193 0.000 2.360 4322 L HA 0.148 4.488 4.340 0.000 0.000 0.276 4322 L C 0.068 176.991 176.870 0.089 0.000 1.121 4322 L CA -0.592 54.308 54.840 0.100 0.000 0.845 4322 L CB 0.772 42.849 42.059 0.030 0.000 1.143 4322 L HN 0.210 nan 8.230 nan 0.000 0.452 4323 I N 5.109 125.727 120.570 0.079 0.000 2.436 4323 I HA -0.017 4.153 4.170 0.000 0.000 0.289 4323 I C 1.035 177.178 176.117 0.043 0.000 1.083 4323 I CA 0.170 61.510 61.300 0.067 0.000 1.372 4323 I CB 0.448 38.488 38.000 0.067 0.000 1.408 4323 I HN 0.667 nan 8.210 nan 0.000 0.516 4324 K N 4.733 125.155 120.400 0.037 0.000 3.003 4324 K HA -0.261 4.059 4.320 0.000 0.000 0.257 4324 K C 1.047 177.654 176.600 0.012 0.000 0.958 4324 K CA 0.643 56.944 56.287 0.023 0.000 0.707 4324 K CB -1.562 30.950 32.500 0.021 0.000 1.279 4324 K HN 1.121 nan 8.250 nan 0.000 0.479 4325 G N -0.725 108.079 108.800 0.006 0.000 2.155 4325 G HA2 -0.355 3.605 3.960 0.000 0.000 0.257 4325 G HA3 -0.355 3.605 3.960 0.000 0.000 0.257 4325 G C -0.052 174.840 174.900 -0.013 0.000 0.983 4325 G CA 0.473 45.566 45.100 -0.011 0.000 0.676 4325 G HN 0.503 nan 8.290 nan 0.000 0.528 4326 S N -1.034 114.665 115.700 -0.003 0.000 2.500 4326 S HA 0.637 5.107 4.470 0.000 0.000 0.301 4326 S C 1.225 175.816 174.600 -0.014 0.000 1.092 4326 S CA 0.628 58.822 58.200 -0.011 0.000 1.030 4326 S CB 1.448 64.645 63.200 -0.004 0.000 1.031 4326 S HN 1.194 nan 8.310 nan 0.000 0.483 4327 G N 1.313 110.086 108.800 -0.043 0.000 3.026 4327 G HA2 0.081 4.041 3.960 0.000 0.000 0.208 4327 G HA3 0.081 4.041 3.960 0.000 0.000 0.208 4327 G C 0.921 175.788 174.900 -0.055 0.000 1.169 4327 G CA 0.725 45.794 45.100 -0.052 0.000 0.788 4327 G HN 0.818 nan 8.290 nan 0.000 0.533 4328 T N -3.640 110.894 114.554 -0.033 0.000 3.003 4328 T HA 0.604 4.954 4.350 0.000 0.000 0.261 4328 T C 1.093 175.792 174.700 -0.002 0.000 1.003 4328 T CA 0.462 62.547 62.100 -0.025 0.000 0.917 4328 T CB 0.662 69.520 68.868 -0.017 0.000 1.084 4328 T HN 0.267 nan 8.240 nan 0.000 0.522 4329 A N 1.837 124.665 122.820 0.012 0.000 2.332 4329 A HA 0.654 4.974 4.320 0.000 0.000 0.258 4329 A C 0.016 177.633 177.584 0.055 0.000 1.087 4329 A CA -0.651 51.405 52.037 0.032 0.000 0.802 4329 A CB 0.355 19.373 19.000 0.031 0.000 1.042 4329 A HN 0.672 nan 8.150 nan 0.000 0.489 4330 E N -0.694 119.555 120.200 0.083 0.000 2.390 4330 E HA 0.578 4.928 4.350 0.000 0.000 0.277 4330 E C -1.411 175.275 176.600 0.144 0.000 0.939 4330 E CA -0.997 55.484 56.400 0.135 0.000 0.769 4330 E CB 1.854 31.668 29.700 0.189 0.000 1.251 4330 E HN 0.921 nan 8.360 nan 0.000 0.450 4331 V N -1.934 118.058 119.914 0.129 0.000 2.733 4331 V HA 0.480 4.600 4.120 0.000 0.000 0.306 4331 V C -0.577 175.464 176.094 -0.088 0.000 1.084 4331 V CA -0.880 61.439 62.300 0.031 0.000 0.905 4331 V CB 1.789 33.614 31.823 0.004 0.000 1.010 4331 V HN 0.860 nan 8.190 nan 0.000 0.424 4332 E N 4.847 124.840 120.200 -0.343 0.000 2.180 4332 E HA 0.409 4.759 4.350 0.000 0.000 0.283 4332 E C -0.600 175.795 176.600 -0.342 0.000 1.061 4332 E CA -0.527 55.461 56.400 -0.687 0.000 0.861 4332 E CB 0.993 29.885 29.700 -1.346 0.000 1.056 4332 E HN 0.787 nan 8.360 nan 0.000 0.407 4333 L N 3.965 125.056 121.223 -0.219 0.000 2.466 4333 L HA 0.312 4.652 4.340 0.000 0.000 0.257 4333 L C 0.399 177.195 176.870 -0.122 0.000 1.189 4333 L CA -0.110 54.658 54.840 -0.119 0.000 0.813 4333 L CB 0.364 42.392 42.059 -0.051 0.000 1.118 4333 L HN 0.461 nan 8.230 nan 0.000 0.471 4334 K N 1.502 121.855 120.400 -0.079 0.000 2.482 4334 K HA 0.284 4.604 4.320 0.000 0.000 0.251 4334 K C -0.961 175.617 176.600 -0.036 0.000 0.936 4334 K CA -0.984 55.265 56.287 -0.063 0.000 0.791 4334 K CB 2.659 35.119 32.500 -0.068 0.000 1.213 4334 K HN 0.420 nan 8.250 nan 0.000 0.428 4335 K N 0.584 120.970 120.400 -0.023 0.000 2.561 4335 K HA -0.080 4.240 4.320 0.000 0.000 0.280 4335 K C 0.866 177.457 176.600 -0.015 0.000 0.975 4335 K CA 1.877 58.156 56.287 -0.012 0.000 1.024 4335 K CB 0.011 32.510 32.500 -0.002 0.000 0.883 4335 K HN 0.824 nan 8.250 nan 0.000 0.496 4336 G N 1.725 110.518 108.800 -0.013 0.000 2.245 4336 G HA2 -0.357 3.603 3.960 0.000 0.000 0.264 4336 G HA3 -0.357 3.603 3.960 0.000 0.000 0.264 4336 G C 0.312 175.203 174.900 -0.016 0.000 0.985 4336 G CA 0.428 45.521 45.100 -0.012 0.000 0.625 4336 G HN 1.011 nan 8.290 nan 0.000 0.536 4337 A N -0.571 122.236 122.820 -0.021 0.000 2.366 4337 A HA 0.676 4.996 4.320 0.000 0.000 0.250 4337 A C 0.656 178.227 177.584 -0.023 0.000 1.099 4337 A CA 1.377 53.399 52.037 -0.025 0.000 0.794 4337 A CB 0.412 19.392 19.000 -0.033 0.000 1.056 4337 A HN 0.840 nan 8.150 nan 0.000 0.499 4338 T N -0.170 114.369 114.554 -0.024 0.000 2.888 4338 T HA 0.574 4.924 4.350 0.000 0.000 0.284 4338 T C -1.182 173.503 174.700 -0.025 0.000 1.017 4338 T CA -0.158 61.929 62.100 -0.021 0.000 1.022 4338 T CB 0.473 69.330 68.868 -0.019 0.000 1.013 4338 T HN 0.439 nan 8.240 nan 0.000 0.465 4339 L N 3.578 124.790 121.223 -0.018 0.000 2.408 4339 L HA 0.570 4.910 4.340 0.000 0.000 0.268 4339 L C -1.004 175.864 176.870 -0.003 0.000 0.986 4339 L CA -0.504 54.325 54.840 -0.018 0.000 0.820 4339 L CB 2.057 44.105 42.059 -0.017 0.000 1.303 4339 L HN 0.560 nan 8.230 nan 0.000 0.411 4340 K N 5.320 125.710 120.400 -0.017 0.000 2.265 4340 K HA 0.584 4.904 4.320 0.000 0.000 0.267 4340 K C -0.951 175.663 176.600 0.023 0.000 0.994 4340 K CA -0.387 55.903 56.287 0.005 0.000 0.860 4340 K CB 1.701 34.158 32.500 -0.071 0.000 1.099 4340 K HN 0.434 nan 8.250 nan 0.000 0.448 4341 I N 2.673 123.292 120.570 0.082 0.000 2.301 4341 I HA 0.079 4.249 4.170 0.000 0.000 0.292 4341 I C 0.188 176.386 176.117 0.135 0.000 1.046 4341 I CA -0.159 61.184 61.300 0.072 0.000 1.282 4341 I CB 1.123 39.154 38.000 0.052 0.000 1.409 4341 I HN 0.537 nan 8.210 nan 0.000 0.484 4342 T N 6.284 120.911 114.554 0.122 0.000 2.823 4342 T HA 0.398 4.748 4.350 0.000 0.000 0.279 4342 T C 0.455 175.277 174.700 0.203 0.000 0.998 4342 T CA -0.425 61.805 62.100 0.218 0.000 0.994 4342 T CB 1.153 70.183 68.868 0.270 0.000 0.960 4342 T HN 0.339 nan 8.240 nan 0.000 0.448 4343 L N 3.472 124.818 121.223 0.205 0.000 2.607 4343 L HA 0.317 4.657 4.340 0.000 0.000 0.228 4343 L C 1.072 178.148 176.870 0.344 0.000 1.123 4343 L CA 0.379 55.302 54.840 0.139 0.000 0.890 4343 L CB -0.109 41.988 42.059 0.063 0.000 1.103 4343 L HN 0.697 nan 8.230 nan 0.000 0.468 4344 D N 0.079 120.739 120.400 0.433 0.000 2.344 4344 D HA -0.046 4.594 4.640 0.000 0.000 0.253 4344 D C 0.614 177.104 176.300 0.316 0.000 1.255 4344 D CA 0.023 54.223 54.000 0.332 0.000 0.894 4344 D CB 0.437 41.360 40.800 0.204 0.000 1.067 4344 D HN 0.297 nan 8.370 nan 0.000 0.492 4345 N N 2.616 121.462 118.700 0.244 0.000 2.484 4345 N HA -0.225 4.515 4.740 0.000 0.000 0.193 4345 N C 1.445 176.768 175.510 -0.310 0.000 1.033 4345 N CA 0.756 53.803 53.050 -0.005 0.000 0.906 4345 N CB 0.128 38.635 38.487 0.033 0.000 0.947 4345 N HN 0.476 nan 8.380 nan 0.000 0.448 4346 A N -0.190 122.450 122.820 -0.300 0.000 2.119 4346 A HA -0.048 4.272 4.320 0.000 0.000 0.216 4346 A C 0.982 178.254 177.584 -0.520 0.000 1.152 4346 A CA 0.658 52.436 52.037 -0.433 0.000 0.708 4346 A CB -0.173 18.537 19.000 -0.483 0.000 0.805 4346 A HN 0.287 nan 8.150 nan 0.000 0.460 4347 Y N -0.637 119.523 120.300 -0.234 0.000 2.466 4347 Y HA 0.193 4.743 4.550 0.000 0.000 0.272 4347 Y C 2.014 177.654 175.900 -0.434 0.000 1.169 4347 Y CA -0.476 57.514 58.100 -0.185 0.000 1.285 4347 Y CB -0.682 37.831 38.460 0.089 0.000 1.078 4347 Y HN 0.231 nan 8.280 nan 0.000 0.523 4348 M N -0.061 118.940 119.600 -0.998 0.000 2.471 4348 M HA -0.332 4.148 4.480 0.000 0.000 0.260 4348 M C 1.112 177.146 176.300 -0.444 0.000 1.065 4348 M CA 2.182 56.604 55.300 -1.463 0.000 1.075 4348 M CB -0.437 31.375 32.600 -1.313 0.000 1.258 4348 M HN 0.233 nan 8.290 nan 0.000 0.457 4349 E N -0.301 119.732 120.200 -0.278 0.000 2.419 4349 E HA 0.047 4.397 4.350 0.000 0.000 0.190 4349 E C -0.038 176.547 176.600 -0.025 0.000 1.040 4349 E CA 0.085 56.421 56.400 -0.107 0.000 0.900 4349 E CB 0.121 29.754 29.700 -0.112 0.000 1.054 4349 E HN 0.443 nan 8.360 nan 0.000 0.462 4350 K N 0.854 121.268 120.400 0.023 0.000 3.167 4350 K HA 0.256 4.576 4.320 0.000 0.000 0.208 4350 K C -0.673 175.985 176.600 0.096 0.000 1.159 4350 K CA -0.338 55.998 56.287 0.082 0.000 1.018 4350 K CB 0.481 33.077 32.500 0.161 0.000 0.927 4350 K HN 0.020 nan 8.250 nan 0.000 0.476 4351 C N 2.363 121.718 119.300 0.093 0.000 2.605 4351 C HA 0.318 4.778 4.460 0.000 0.000 0.404 4351 C C 0.447 175.467 174.990 0.049 0.000 1.284 4351 C CA 0.051 59.128 59.018 0.099 0.000 2.199 4351 C CB -0.091 27.736 27.740 0.145 0.000 2.647 4351 C HN 0.806 nan 8.230 nan 0.000 0.604 4352 D N -0.609 119.807 120.400 0.027 0.000 2.809 4352 D HA 0.052 4.692 4.640 0.000 0.000 0.336 4352 D C 0.373 176.666 176.300 -0.012 0.000 1.367 4352 D CA -0.589 53.413 54.000 0.005 0.000 0.815 4352 D CB 0.018 40.812 40.800 -0.009 0.000 1.381 4352 D HN 0.575 nan 8.370 nan 0.000 0.471 4353 E N -0.150 120.036 120.200 -0.023 0.000 2.393 4353 E HA -0.195 4.155 4.350 0.000 0.000 0.201 4353 E C 0.330 176.904 176.600 -0.044 0.000 1.025 4353 E CA 1.457 57.835 56.400 -0.037 0.000 0.856 4353 E CB -0.554 29.117 29.700 -0.049 0.000 0.771 4353 E HN 0.477 nan 8.360 nan 0.000 0.526 4354 N N -0.099 118.569 118.700 -0.052 0.000 2.557 4354 N HA 0.174 4.914 4.740 0.000 0.000 0.217 4354 N C -0.073 175.382 175.510 -0.092 0.000 1.062 4354 N CA -0.020 52.988 53.050 -0.071 0.000 0.863 4354 N CB 0.890 39.328 38.487 -0.082 0.000 1.390 4354 N HN -0.023 nan 8.380 nan 0.000 0.445 4355 I N 1.829 122.335 120.570 -0.107 0.000 2.406 4355 I HA 0.337 4.507 4.170 0.000 0.000 0.290 4355 I C -1.203 174.891 176.117 -0.038 0.000 0.999 4355 I CA -0.690 60.527 61.300 -0.139 0.000 1.124 4355 I CB 1.927 39.726 38.000 -0.336 0.000 1.289 4355 I HN -0.002 nan 8.210 nan 0.000 0.441 4356 L N 7.294 128.516 121.223 -0.002 0.000 2.353 4356 L HA 0.402 4.742 4.340 0.000 0.000 0.270 4356 L C -1.125 175.813 176.870 0.112 0.000 1.003 4356 L CA -0.364 54.512 54.840 0.061 0.000 0.862 4356 L CB 1.126 43.204 42.059 0.031 0.000 1.221 4356 L HN 0.609 nan 8.230 nan 0.000 0.430 4357 W N 6.317 127.641 121.300 0.039 0.000 2.387 4357 W HA 0.472 5.132 4.660 0.000 0.000 0.310 4357 W C -0.613 175.950 176.519 0.073 0.000 1.181 4357 W CA -0.215 57.179 57.345 0.082 0.000 1.333 4357 W CB 0.718 30.253 29.460 0.125 0.000 1.286 4357 W HN 0.504 nan 8.180 nan 0.000 0.455 4358 L N 4.516 125.237 121.223 -0.836 0.000 2.642 4358 L HA 0.255 4.595 4.340 0.000 0.000 0.229 4358 L C 1.028 177.136 176.870 -1.271 0.000 1.179 4358 L CA 0.654 55.036 54.840 -0.763 0.000 0.834 4358 L CB 0.782 42.601 42.059 -0.400 0.000 1.515 4358 L HN 0.469 nan 8.230 nan 0.000 0.512 4359 D N -2.429 117.620 120.400 -0.585 0.000 2.531 4359 D HA 0.009 4.649 4.640 0.000 0.000 0.263 4359 D C -0.721 175.500 176.300 -0.131 0.000 1.057 4359 D CA 0.323 54.113 54.000 -0.350 0.000 0.909 4359 D CB 0.214 40.942 40.800 -0.120 0.000 1.236 4359 D HN 0.293 nan 8.370 nan 0.000 0.494 4360 Y N 1.875 122.040 120.300 -0.224 0.000 2.504 4360 Y HA 0.207 4.757 4.550 0.000 0.000 0.351 4360 Y C 1.015 176.843 175.900 -0.120 0.000 0.988 4360 Y CA -0.185 57.830 58.100 -0.142 0.000 1.239 4360 Y CB 0.778 39.163 38.460 -0.125 0.000 1.128 4360 Y HN -0.306 nan 8.280 nan 0.000 0.525 4361 K N 2.300 122.392 120.400 -0.513 0.000 2.211 4361 K HA -0.050 4.270 4.320 0.000 0.000 0.203 4361 K C 0.673 176.986 176.600 -0.479 0.000 1.050 4361 K CA 1.087 57.132 56.287 -0.402 0.000 0.945 4361 K CB 0.127 32.482 32.500 -0.242 0.000 0.732 4361 K HN 0.558 nan 8.250 nan 0.000 0.451 4362 N N 0.453 118.618 118.700 -0.892 0.000 2.251 4362 N HA 0.075 4.815 4.740 0.000 0.000 0.217 4362 N C 1.078 176.479 175.510 -0.181 0.000 1.124 4362 N CA 0.057 52.824 53.050 -0.472 0.000 0.843 4362 N CB 0.255 38.539 38.487 -0.339 0.000 1.024 4362 N HN 0.155 nan 8.380 nan 0.000 0.501 4363 I N 0.330 120.853 120.570 -0.078 0.000 2.185 4363 I HA -0.388 3.782 4.170 0.000 0.000 0.246 4363 I C 1.491 177.653 176.117 0.076 0.000 1.088 4363 I CA 1.266 62.713 61.300 0.245 0.000 1.347 4363 I CB 0.039 38.174 38.000 0.224 0.000 1.041 4363 I HN 0.144 nan 8.210 nan 0.000 0.415 4364 C N 0.714 120.006 119.300 -0.013 0.000 2.393 4364 C HA -0.198 4.262 4.460 0.000 0.000 0.292 4364 C C 2.592 177.562 174.990 -0.033 0.000 1.347 4364 C CA 1.153 60.141 59.018 -0.049 0.000 1.810 4364 C CB -1.336 26.346 27.740 -0.096 0.000 1.899 4364 C HN 0.488 nan 8.230 nan 0.000 0.532 4365 K N -0.134 120.262 120.400 -0.006 0.000 2.367 4365 K HA 0.091 4.411 4.320 0.000 0.000 0.195 4365 K C 1.651 178.264 176.600 0.022 0.000 1.060 4365 K CA 0.390 56.676 56.287 -0.001 0.000 1.022 4365 K CB 0.292 32.788 32.500 -0.007 0.000 0.894 4365 K HN 0.326 nan 8.250 nan 0.000 0.540 4366 V N 0.798 120.748 119.914 0.060 0.000 2.548 4366 V HA -0.042 4.078 4.120 0.000 0.000 0.249 4366 V C 1.140 177.246 176.094 0.021 0.000 1.055 4366 V CA 0.835 63.172 62.300 0.062 0.000 1.065 4366 V CB 0.438 32.335 31.823 0.124 0.000 0.681 4366 V HN -0.038 nan 8.190 nan 0.000 0.462 4367 V N -0.081 119.840 119.914 0.012 0.000 2.680 4367 V HA 0.451 4.571 4.120 0.000 0.000 0.309 4367 V C -0.889 175.193 176.094 -0.020 0.000 1.052 4367 V CA -0.757 61.538 62.300 -0.008 0.000 0.908 4367 V CB 2.237 34.052 31.823 -0.013 0.000 1.001 4367 V HN 0.287 nan 8.190 nan 0.000 0.431 4368 D N 1.903 122.290 120.400 -0.022 0.000 2.487 4368 D HA 0.460 5.100 4.640 0.000 0.000 0.262 4368 D C -0.434 175.848 176.300 -0.030 0.000 1.130 4368 D CA -0.180 53.804 54.000 -0.026 0.000 1.038 4368 D CB 1.950 42.739 40.800 -0.018 0.000 1.142 4368 D HN 0.305 nan 8.370 nan 0.000 0.575 4369 V N 0.037 119.934 119.914 -0.029 0.000 2.740 4369 V HA 0.366 4.486 4.120 0.000 0.000 0.303 4369 V C 1.480 177.560 176.094 -0.023 0.000 1.054 4369 V CA 0.339 62.623 62.300 -0.027 0.000 1.106 4369 V CB 0.473 32.282 31.823 -0.023 0.000 0.957 4369 V HN 0.879 nan 8.190 nan 0.000 0.486 4370 G N 3.101 111.887 108.800 -0.024 0.000 2.221 4370 G HA2 -0.244 3.716 3.960 0.000 0.000 0.265 4370 G HA3 -0.244 3.716 3.960 0.000 0.000 0.265 4370 G C 0.251 175.133 174.900 -0.030 0.000 1.041 4370 G CA 0.454 45.539 45.100 -0.024 0.000 0.807 4370 G HN 0.850 nan 8.290 nan 0.000 0.502 4371 S N -1.079 114.599 115.700 -0.037 0.000 2.672 4371 S HA 0.686 5.156 4.470 0.000 0.000 0.276 4371 S C 0.367 174.922 174.600 -0.075 0.000 1.207 4371 S CA -0.450 57.725 58.200 -0.042 0.000 1.002 4371 S CB 0.975 64.155 63.200 -0.033 0.000 0.998 4371 S HN 0.366 nan 8.310 nan 0.000 0.542 4372 K N 1.343 121.688 120.400 -0.091 0.000 2.185 4372 K HA 0.605 4.925 4.320 0.000 0.000 0.269 4372 K C -1.564 174.889 176.600 -0.245 0.000 0.987 4372 K CA -0.323 55.839 56.287 -0.209 0.000 0.865 4372 K CB 1.483 33.851 32.500 -0.220 0.000 1.090 4372 K HN 0.288 nan 8.250 nan 0.000 0.450 4373 V N 5.088 124.782 119.914 -0.366 0.000 2.482 4373 V HA 0.341 4.461 4.120 0.000 0.000 0.295 4373 V C -1.307 174.592 176.094 -0.325 0.000 1.026 4373 V CA -0.892 61.266 62.300 -0.238 0.000 0.856 4373 V CB 0.771 32.524 31.823 -0.115 0.000 1.001 4373 V HN 0.614 nan 8.190 nan 0.000 0.424 4374 Y N 3.381 123.684 120.300 0.006 0.000 2.334 4374 Y HA 0.667 5.217 4.550 0.000 0.000 0.328 4374 Y C 0.200 176.112 175.900 0.020 0.000 1.130 4374 Y CA -0.922 57.188 58.100 0.017 0.000 1.163 4374 Y CB 1.889 40.363 38.460 0.023 0.000 1.207 4374 Y HN 0.401 nan 8.280 nan 0.000 0.471 4375 V N 1.763 121.793 119.914 0.193 0.000 2.407 4375 V HA 0.353 4.473 4.120 0.000 0.000 0.291 4375 V C -0.721 175.454 176.094 0.136 0.000 1.018 4375 V CA -1.112 61.267 62.300 0.131 0.000 0.842 4375 V CB 1.198 33.072 31.823 0.086 0.000 0.996 4375 V HN 0.864 nan 8.190 nan 0.000 0.426 4376 D N 3.960 124.435 120.400 0.125 0.000 3.092 4376 D HA -0.134 4.506 4.640 0.000 0.000 0.253 4376 D C 0.246 176.607 176.300 0.101 0.000 1.063 4376 D CA 0.954 55.024 54.000 0.116 0.000 0.886 4376 D CB -0.911 39.957 40.800 0.113 0.000 1.021 4376 D HN 0.951 nan 8.370 nan 0.000 0.425 4377 D N 0.029 120.484 120.400 0.091 0.000 2.837 4377 D HA -0.153 4.487 4.640 0.000 0.000 0.230 4377 D C 1.255 177.561 176.300 0.010 0.000 1.152 4377 D CA 2.653 56.681 54.000 0.048 0.000 0.736 4377 D CB -1.425 39.399 40.800 0.040 0.000 1.084 4377 D HN 1.193 nan 8.370 nan 0.000 0.429 4378 G N -1.185 107.645 108.800 0.050 0.000 2.176 4378 G HA2 -0.391 3.569 3.960 0.000 0.000 0.253 4378 G HA3 -0.391 3.569 3.960 0.000 0.000 0.253 4378 G C 0.967 175.957 174.900 0.150 0.000 0.979 4378 G CA 0.712 45.822 45.100 0.016 0.000 0.641 4378 G HN 0.520 nan 8.290 nan 0.000 0.530 4379 L N 0.722 122.022 121.223 0.129 0.000 1.990 4379 L HA 0.179 4.519 4.340 0.000 0.000 0.213 4379 L C 1.429 178.389 176.870 0.150 0.000 1.072 4379 L CA 1.906 56.819 54.840 0.121 0.000 0.755 4379 L CB -0.307 41.818 42.059 0.110 0.000 0.889 4379 L HN 0.396 nan 8.230 nan 0.000 0.432 4380 I N -0.021 120.649 120.570 0.166 0.000 2.412 4380 I HA 0.238 4.408 4.170 0.000 0.000 0.296 4380 I C 0.087 176.293 176.117 0.148 0.000 0.987 4380 I CA -0.202 61.176 61.300 0.131 0.000 1.180 4380 I CB 1.173 39.224 38.000 0.084 0.000 1.340 4380 I HN 0.080 nan 8.210 nan 0.000 0.455 4381 S N 6.083 121.815 115.700 0.055 0.000 2.454 4381 S HA 0.695 5.165 4.470 0.000 0.000 0.306 4381 S C -0.912 173.591 174.600 -0.163 0.000 1.100 4381 S CA -0.476 57.629 58.200 -0.159 0.000 1.087 4381 S CB 0.882 64.040 63.200 -0.071 0.000 1.019 4381 S HN 0.355 nan 8.310 nan 0.000 0.480 4382 L N 3.870 124.940 121.223 -0.255 0.000 2.362 4382 L HA 0.617 4.957 4.340 0.000 0.000 0.271 4382 L C -0.303 176.470 176.870 -0.161 0.000 1.002 4382 L CA -0.252 54.496 54.840 -0.152 0.000 0.818 4382 L CB 1.814 43.804 42.059 -0.114 0.000 1.298 4382 L HN 0.814 nan 8.230 nan 0.000 0.420 4383 Q N 1.854 121.596 119.800 -0.097 0.000 2.331 4383 Q HA 0.515 4.855 4.340 0.000 0.000 0.267 4383 Q C -1.399 174.570 176.000 -0.051 0.000 1.006 4383 Q CA -0.555 55.200 55.803 -0.080 0.000 0.818 4383 Q CB 1.779 30.481 28.738 -0.061 0.000 1.276 4383 Q HN 0.409 nan 8.270 nan 0.000 0.450 4384 V N 6.436 126.320 119.914 -0.050 0.000 2.393 4384 V HA -0.023 4.097 4.120 0.000 0.000 0.257 4384 V C 0.833 176.915 176.094 -0.019 0.000 1.040 4384 V CA 0.351 62.632 62.300 -0.032 0.000 1.097 4384 V CB -0.101 31.700 31.823 -0.038 0.000 1.101 4384 V HN 0.828 nan 8.190 nan 0.000 0.479 4385 K N 2.659 123.057 120.400 -0.004 0.000 2.063 4385 K HA 0.166 4.486 4.320 0.000 0.000 0.204 4385 K C 0.712 177.321 176.600 0.015 0.000 1.039 4385 K CA 0.851 57.142 56.287 0.006 0.000 0.957 4385 K CB 0.262 32.770 32.500 0.013 0.000 0.764 4385 K HN 0.542 nan 8.250 nan 0.000 0.447 4386 Q N 0.787 120.610 119.800 0.038 0.000 2.337 4386 Q HA 0.246 4.586 4.340 0.000 0.000 0.270 4386 Q C -1.167 174.826 176.000 -0.011 0.000 1.043 4386 Q CA -0.277 55.553 55.803 0.045 0.000 0.794 4386 Q CB 2.389 31.201 28.738 0.123 0.000 1.281 4386 Q HN -0.056 nan 8.270 nan 0.000 0.446 4387 K N 1.697 122.036 120.400 -0.102 0.000 2.299 4387 K HA 0.377 4.697 4.320 0.000 0.000 0.268 4387 K C 0.169 176.510 176.600 -0.432 0.000 1.075 4387 K CA -0.183 55.964 56.287 -0.234 0.000 0.936 4387 K CB 0.893 33.305 32.500 -0.147 0.000 1.228 4387 K HN 0.787 nan 8.250 nan 0.000 0.454 4388 G N 3.037 111.204 108.800 -1.055 0.000 2.735 4388 G HA2 0.127 4.087 3.960 0.000 0.000 0.192 4388 G HA3 0.127 4.087 3.960 0.000 0.000 0.192 4388 G C -1.721 172.765 174.900 -0.691 0.000 1.547 4388 G CA -0.311 43.932 45.100 -1.428 0.000 1.080 4388 G HN 0.390 nan 8.290 nan 0.000 0.569 4389 P HA 0.156 nan 4.420 nan 0.000 0.208 4389 P C 0.251 177.494 177.300 -0.095 0.000 1.088 4389 P CA 1.060 64.065 63.100 -0.160 0.000 0.962 4389 P CB 0.539 32.240 31.700 0.002 0.000 0.810 4390 D N -0.378 120.054 120.400 0.053 0.000 2.593 4390 D HA 0.260 4.900 4.640 0.000 0.000 0.241 4390 D C -0.171 176.290 176.300 0.267 0.000 1.257 4390 D CA -0.730 53.355 54.000 0.141 0.000 0.828 4390 D CB -0.328 40.574 40.800 0.170 0.000 1.049 4390 D HN 0.112 nan 8.370 nan 0.000 0.490 4391 F N -1.922 118.038 119.950 0.017 0.000 2.978 4391 F HA 0.563 5.090 4.527 0.000 0.000 0.324 4391 F C -2.617 173.183 175.800 0.001 0.000 1.157 4391 F CA -1.477 56.531 58.000 0.014 0.000 0.879 4391 F CB 0.728 39.744 39.000 0.027 0.000 1.364 4391 F HN -0.202 nan 8.300 nan 0.000 0.465 4392 L N 2.686 124.056 121.223 0.245 0.000 2.439 4392 L HA 0.624 4.964 4.340 0.000 0.000 0.270 4392 L C -1.034 176.000 176.870 0.274 0.000 0.972 4392 L CA -0.933 53.993 54.840 0.143 0.000 0.836 4392 L CB 1.775 43.857 42.059 0.040 0.000 1.255 4392 L HN 0.665 nan 8.230 nan 0.000 0.404 4393 V N 3.188 123.257 119.914 0.259 0.000 2.350 4393 V HA 0.692 4.812 4.120 0.000 0.000 0.276 4393 V C 0.475 176.614 176.094 0.074 0.000 1.028 4393 V CA -0.376 62.027 62.300 0.170 0.000 0.860 4393 V CB 1.320 33.257 31.823 0.190 0.000 0.990 4393 V HN 0.914 nan 8.190 nan 0.000 0.453 4394 T N 1.046 115.622 114.554 0.037 0.000 2.888 4394 T HA 0.610 4.960 4.350 0.000 0.000 0.288 4394 T C -0.732 173.965 174.700 -0.006 0.000 1.063 4394 T CA -0.843 61.260 62.100 0.006 0.000 1.010 4394 T CB 2.582 71.444 68.868 -0.011 0.000 1.214 4394 T HN 0.517 nan 8.240 nan 0.000 0.533 4395 E N 0.731 120.921 120.200 -0.017 0.000 2.151 4395 E HA 0.385 4.735 4.350 0.000 0.000 0.275 4395 E C -0.865 175.719 176.600 -0.026 0.000 0.936 4395 E CA -0.672 55.717 56.400 -0.019 0.000 0.777 4395 E CB 1.878 31.568 29.700 -0.016 0.000 1.108 4395 E HN 0.501 nan 8.360 nan 0.000 0.401 4396 V N 5.957 125.857 119.914 -0.023 0.000 2.377 4396 V HA -0.035 4.085 4.120 0.000 0.000 0.254 4396 V C 1.433 177.516 176.094 -0.018 0.000 1.060 4396 V CA 0.615 62.901 62.300 -0.023 0.000 1.068 4396 V CB 0.151 31.960 31.823 -0.023 0.000 1.113 4396 V HN 0.720 nan 8.190 nan 0.000 0.484 4397 E N 3.247 123.434 120.200 -0.021 0.000 2.106 4397 E HA -0.072 4.278 4.350 0.000 0.000 0.192 4397 E C 0.406 177.009 176.600 0.005 0.000 0.984 4397 E CA 0.827 57.220 56.400 -0.012 0.000 0.806 4397 E CB 0.211 29.896 29.700 -0.025 0.000 0.750 4397 E HN 0.754 nan 8.360 nan 0.000 0.458 4398 N N -0.192 118.515 118.700 0.013 0.000 2.314 4398 N HA 0.333 5.073 4.740 0.000 0.000 0.304 4398 N C -0.471 175.054 175.510 0.025 0.000 1.073 4398 N CA -0.611 52.459 53.050 0.033 0.000 0.822 4398 N CB 1.964 40.489 38.487 0.063 0.000 1.280 4398 N HN -0.056 nan 8.380 nan 0.000 0.489 4399 G N -0.106 108.710 108.800 0.028 0.000 2.420 4399 G HA2 0.646 4.606 3.960 0.000 0.000 0.284 4399 G HA3 0.646 4.606 3.960 0.000 0.000 0.284 4399 G C -0.110 174.819 174.900 0.047 0.000 1.177 4399 G CA -0.351 44.758 45.100 0.015 0.000 0.841 4399 G HN 0.727 nan 8.290 nan 0.000 0.527 4400 G N -0.330 108.486 108.800 0.028 0.000 2.352 4400 G HA2 0.380 4.340 3.960 0.000 0.000 0.303 4400 G HA3 0.380 4.340 3.960 0.000 0.000 0.303 4400 G C -0.945 174.001 174.900 0.076 0.000 1.593 4400 G CA -1.122 44.054 45.100 0.127 0.000 0.963 4400 G HN 0.482 nan 8.290 nan 0.000 0.685 4401 F N 0.625 120.591 119.950 0.026 0.000 2.471 4401 F HA 0.524 5.051 4.527 0.000 0.000 0.353 4401 F C 1.034 176.852 175.800 0.031 0.000 1.113 4401 F CA -0.443 57.572 58.000 0.025 0.000 1.262 4401 F CB 0.920 39.934 39.000 0.023 0.000 1.146 4401 F HN 0.158 nan 8.300 nan 0.000 0.578 4402 L N 2.177 123.514 121.223 0.190 0.000 2.325 4402 L HA 0.624 4.964 4.340 0.000 0.000 0.278 4402 L C 0.356 177.312 176.870 0.144 0.000 1.023 4402 L CA -0.116 54.806 54.840 0.135 0.000 0.811 4402 L CB 1.219 43.326 42.059 0.080 0.000 1.249 4402 L HN 0.752 nan 8.230 nan 0.000 0.431 4403 G N 1.249 110.122 108.800 0.121 0.000 3.013 4403 G HA2 0.573 4.533 3.960 0.000 0.000 0.278 4403 G HA3 0.573 4.533 3.960 0.000 0.000 0.278 4403 G C -0.826 174.135 174.900 0.101 0.000 1.353 4403 G CA -0.379 44.779 45.100 0.098 0.000 1.043 4403 G HN 0.586 nan 8.290 nan 0.000 0.523 4404 S N 0.217 115.970 115.700 0.089 0.000 2.562 4404 S HA 0.455 4.925 4.470 0.000 0.000 0.275 4404 S C -0.260 174.453 174.600 0.188 0.000 1.281 4404 S CA -0.647 57.623 58.200 0.116 0.000 1.045 4404 S CB 1.294 64.543 63.200 0.083 0.000 0.962 4404 S HN 0.649 nan 8.310 nan 0.000 0.503 4405 K N 0.622 121.141 120.400 0.198 0.000 3.619 4405 K HA -0.110 4.210 4.320 0.000 0.000 0.275 4405 K C -0.953 175.783 176.600 0.226 0.000 0.993 4405 K CA 0.566 56.974 56.287 0.202 0.000 0.787 4405 K CB -1.198 31.440 32.500 0.230 0.000 1.431 4405 K HN 0.644 nan 8.250 nan 0.000 0.451 4406 K N 0.425 120.924 120.400 0.165 0.000 2.159 4406 K HA 0.324 4.644 4.320 0.000 0.000 0.266 4406 K C 0.910 177.570 176.600 0.101 0.000 0.975 4406 K CA -0.300 56.077 56.287 0.151 0.000 0.865 4406 K CB 1.574 34.154 32.500 0.133 0.000 1.087 4406 K HN 0.396 nan 8.250 nan 0.000 0.446 4407 G N 0.769 109.635 108.800 0.109 0.000 2.554 4407 G HA2 0.301 4.261 3.960 0.000 0.000 0.238 4407 G HA3 0.301 4.261 3.960 0.000 0.000 0.238 4407 G C -0.510 174.433 174.900 0.072 0.000 1.259 4407 G CA -0.342 44.810 45.100 0.087 0.000 0.843 4407 G HN 0.255 nan 8.290 nan 0.000 0.582 4408 V N 2.801 122.737 119.914 0.036 0.000 2.577 4408 V HA 0.408 4.528 4.120 0.000 0.000 0.303 4408 V C -0.563 175.538 176.094 0.011 0.000 1.042 4408 V CA -1.072 61.243 62.300 0.025 0.000 0.872 4408 V CB 1.758 33.569 31.823 -0.020 0.000 0.998 4408 V HN 0.790 nan 8.190 nan 0.000 0.423 4409 N N 4.951 123.698 118.700 0.078 0.000 2.461 4409 N HA 0.488 5.228 4.740 0.000 0.000 0.284 4409 N C -1.483 174.114 175.510 0.146 0.000 1.049 4409 N CA -0.547 52.556 53.050 0.088 0.000 0.889 4409 N CB 2.772 41.325 38.487 0.111 0.000 1.365 4409 N HN 0.366 nan 8.380 nan 0.000 0.499 4410 L N 3.263 124.519 121.223 0.055 0.000 2.825 4410 L HA 0.341 4.681 4.340 0.000 0.000 0.236 4410 L C -2.192 174.714 176.870 0.060 0.000 1.301 4410 L CA -1.657 53.216 54.840 0.054 0.000 0.977 4410 L CB 0.091 42.131 42.059 -0.031 0.000 1.300 4410 L HN 0.300 nan 8.230 nan 0.000 0.486 4411 P HA 0.139 nan 4.420 nan 0.000 0.265 4411 P C 0.838 178.184 177.300 0.076 0.000 1.187 4411 P CA 0.437 63.597 63.100 0.100 0.000 0.766 4411 P CB 0.628 32.398 31.700 0.117 0.000 0.820 4412 G N 0.932 109.760 108.800 0.047 0.000 2.351 4412 G HA2 0.126 4.086 3.960 0.000 0.000 0.297 4412 G HA3 0.126 4.086 3.960 0.000 0.000 0.297 4412 G C -0.034 174.873 174.900 0.012 0.000 1.054 4412 G CA 0.034 45.147 45.100 0.021 0.000 1.123 4412 G HN 0.882 nan 8.290 nan 0.000 0.512 4413 A N -0.845 121.976 122.820 0.000 0.000 2.555 4413 A HA 0.979 5.299 4.320 0.000 0.000 0.297 4413 A C 0.109 177.677 177.584 -0.026 0.000 1.060 4413 A CA 0.274 52.303 52.037 -0.012 0.000 0.710 4413 A CB 0.803 19.793 19.000 -0.017 0.000 1.282 4413 A HN 2.225 nan 8.150 nan 0.000 0.399 4414 A N 1.387 124.197 122.820 -0.017 0.000 2.473 4414 A HA 0.513 4.833 4.320 0.000 0.000 0.282 4414 A C -0.226 177.343 177.584 -0.024 0.000 1.163 4414 A CA 0.126 52.156 52.037 -0.012 0.000 0.827 4414 A CB -0.615 18.390 19.000 0.008 0.000 1.098 4414 A HN 1.431 nan 8.150 nan 0.000 0.515 4415 V N 4.355 124.235 119.914 -0.057 0.000 2.305 4415 V HA 0.127 4.247 4.120 0.000 0.000 0.275 4415 V C -0.289 175.780 176.094 -0.043 0.000 1.020 4415 V CA -0.554 61.681 62.300 -0.108 0.000 0.811 4415 V CB 1.239 32.883 31.823 -0.298 0.000 1.031 4415 V HN 0.898 nan 8.190 nan 0.000 0.439 4416 D N 4.926 125.352 120.400 0.043 0.000 2.470 4416 D HA 0.349 4.989 4.640 0.000 0.000 0.226 4416 D C -0.723 175.618 176.300 0.068 0.000 1.196 4416 D CA 0.092 54.122 54.000 0.051 0.000 0.979 4416 D CB 0.352 41.191 40.800 0.064 0.000 1.059 4416 D HN 0.164 nan 8.370 nan 0.000 0.515 4417 L N 4.998 126.231 121.223 0.018 0.000 2.386 4417 L HA 0.548 4.888 4.340 0.000 0.000 0.271 4417 L C -2.102 174.775 176.870 0.011 0.000 0.993 4417 L CA -2.169 52.681 54.840 0.017 0.000 0.819 4417 L CB 1.780 43.816 42.059 -0.039 0.000 1.294 4417 L HN 0.263 nan 8.230 nan 0.000 0.414 4418 P HA 0.245 nan 4.420 nan 0.000 0.275 4418 P C 0.143 177.461 177.300 0.030 0.000 1.228 4418 P CA -0.428 62.689 63.100 0.028 0.000 0.786 4418 P CB 0.974 32.694 31.700 0.033 0.000 0.927 4419 A N 2.882 125.725 122.820 0.037 0.000 1.908 4419 A HA -0.024 4.296 4.320 0.000 0.000 0.218 4419 A C 0.905 178.521 177.584 0.053 0.000 1.181 4419 A CA 1.485 53.551 52.037 0.048 0.000 0.627 4419 A CB -0.637 18.391 19.000 0.046 0.000 0.818 4419 A HN 0.446 nan 8.150 nan 0.000 0.445 4420 V N 0.342 120.285 119.914 0.048 0.000 2.531 4420 V HA 0.495 4.615 4.120 0.000 0.000 0.301 4420 V C 0.077 176.200 176.094 0.047 0.000 1.034 4420 V CA -0.155 62.175 62.300 0.050 0.000 0.865 4420 V CB 1.607 33.459 31.823 0.048 0.000 0.995 4420 V HN 0.574 nan 8.190 nan 0.000 0.424 4421 S N 2.469 118.200 115.700 0.052 0.000 2.767 4421 S HA 0.486 4.956 4.470 0.000 0.000 0.300 4421 S C 0.810 175.444 174.600 0.056 0.000 1.123 4421 S CA -0.450 57.780 58.200 0.051 0.000 0.992 4421 S CB 1.821 65.053 63.200 0.054 0.000 1.138 4421 S HN 0.674 nan 8.310 nan 0.000 0.550 4422 E N 0.506 120.738 120.200 0.054 0.000 2.051 4422 E HA -0.128 4.222 4.350 0.000 0.000 0.192 4422 E C 1.847 178.490 176.600 0.072 0.000 0.991 4422 E CA 1.225 57.659 56.400 0.056 0.000 0.799 4422 E CB -0.142 29.587 29.700 0.048 0.000 0.748 4422 E HN 0.615 nan 8.360 nan 0.000 0.449 4423 K N 0.556 121.001 120.400 0.075 0.000 2.057 4423 K HA -0.164 4.156 4.320 0.000 0.000 0.207 4423 K C 1.752 178.429 176.600 0.128 0.000 1.049 4423 K CA 1.666 58.012 56.287 0.097 0.000 0.931 4423 K CB 0.017 32.572 32.500 0.092 0.000 0.714 4423 K HN 0.092 nan 8.250 nan 0.000 0.440 4424 D N 0.663 121.124 120.400 0.102 0.000 2.108 4424 D HA -0.210 4.430 4.640 0.000 0.000 0.190 4424 D C 1.900 178.249 176.300 0.081 0.000 0.995 4424 D CA 1.365 55.419 54.000 0.089 0.000 0.834 4424 D CB -0.391 40.452 40.800 0.071 0.000 0.967 4424 D HN 0.138 nan 8.370 nan 0.000 0.446 4425 I N 0.839 121.454 120.570 0.075 0.000 2.145 4425 I HA -0.346 3.824 4.170 0.000 0.000 0.244 4425 I C 2.611 178.788 176.117 0.101 0.000 1.075 4425 I CA 1.399 62.741 61.300 0.071 0.000 1.332 4425 I CB -0.237 37.801 38.000 0.063 0.000 1.033 4425 I HN 0.043 nan 8.210 nan 0.000 0.410 4426 Q N 0.262 120.142 119.800 0.135 0.000 2.096 4426 Q HA -0.235 4.105 4.340 0.000 0.000 0.204 4426 Q C 1.812 177.989 176.000 0.294 0.000 0.982 4426 Q CA 1.894 57.824 55.803 0.211 0.000 0.850 4426 Q CB -0.092 28.770 28.738 0.207 0.000 0.901 4426 Q HN 0.590 nan 8.270 nan 0.000 0.422 4427 D N 0.254 120.803 120.400 0.247 0.000 2.123 4427 D HA -0.113 4.527 4.640 0.000 0.000 0.200 4427 D C 2.038 178.302 176.300 -0.059 0.000 0.976 4427 D CA 0.721 54.796 54.000 0.125 0.000 0.831 4427 D CB -0.206 40.638 40.800 0.074 0.000 0.974 4427 D HN 0.248 nan 8.370 nan 0.000 0.469 4428 L N 1.057 122.261 121.223 -0.032 0.000 1.971 4428 L HA -0.205 4.135 4.340 0.000 0.000 0.215 4428 L C 2.527 179.375 176.870 -0.037 0.000 1.072 4428 L CA 1.322 56.126 54.840 -0.060 0.000 0.758 4428 L CB -0.529 41.519 42.059 -0.018 0.000 0.889 4428 L HN -0.045 nan 8.230 nan 0.000 0.433 4429 K N -0.311 120.105 120.400 0.026 0.000 2.113 4429 K HA -0.242 4.078 4.320 0.000 0.000 0.208 4429 K C 2.066 178.687 176.600 0.034 0.000 1.047 4429 K CA 1.680 57.989 56.287 0.038 0.000 0.928 4429 K CB -0.663 31.880 32.500 0.071 0.000 0.716 4429 K HN 0.214 nan 8.250 nan 0.000 0.446 4430 F N 1.744 121.635 119.950 -0.099 0.000 2.171 4430 F HA -0.110 4.417 4.527 0.000 0.000 0.300 4430 F C 2.120 177.826 175.800 -0.157 0.000 1.090 4430 F CA 1.615 59.522 58.000 -0.155 0.000 1.293 4430 F CB -0.550 38.207 39.000 -0.405 0.000 1.013 4430 F HN 0.026 nan 8.300 nan 0.000 0.486 4431 G N 0.143 108.785 108.800 -0.262 0.000 2.421 4431 G HA2 -0.215 3.745 3.960 0.000 0.000 0.216 4431 G HA3 -0.215 3.745 3.960 0.000 0.000 0.216 4431 G C 1.734 176.482 174.900 -0.254 0.000 1.171 4431 G CA 1.233 46.143 45.100 -0.317 0.000 0.775 4431 G HN 0.330 nan 8.290 nan 0.000 0.543 4432 V N 0.905 120.719 119.914 -0.167 0.000 2.324 4432 V HA -0.242 3.878 4.120 0.000 0.000 0.250 4432 V C 2.650 178.661 176.094 -0.138 0.000 1.060 4432 V CA 2.369 64.599 62.300 -0.116 0.000 1.042 4432 V CB -0.632 31.152 31.823 -0.065 0.000 0.650 4432 V HN 0.477 nan 8.190 nan 0.000 0.450 4433 E N -0.495 119.599 120.200 -0.178 0.000 2.106 4433 E HA -0.187 4.163 4.350 0.000 0.000 0.192 4433 E C 2.159 178.606 176.600 -0.254 0.000 0.984 4433 E CA 0.829 57.119 56.400 -0.183 0.000 0.806 4433 E CB -0.105 29.499 29.700 -0.160 0.000 0.750 4433 E HN 0.530 nan 8.360 nan 0.000 0.458 4434 Q N 0.697 120.251 119.800 -0.411 0.000 2.444 4434 Q HA -0.054 4.286 4.340 0.000 0.000 0.206 4434 Q C -0.337 175.543 176.000 -0.201 0.000 0.948 4434 Q CA 0.381 55.962 55.803 -0.369 0.000 0.946 4434 Q CB 0.115 28.519 28.738 -0.557 0.000 1.027 4434 Q HN 0.207 nan 8.270 nan 0.000 0.513 4435 D N 0.127 120.427 120.400 -0.166 0.000 2.697 4435 D HA -0.157 4.483 4.640 0.000 0.000 0.238 4435 D C -0.247 176.003 176.300 -0.085 0.000 1.152 4435 D CA 0.551 54.491 54.000 -0.099 0.000 0.666 4435 D CB -1.128 39.634 40.800 -0.064 0.000 1.037 4435 D HN 0.132 nan 8.370 nan 0.000 0.423 4436 V N -1.901 117.945 119.914 -0.113 0.000 3.003 4436 V HA 0.336 4.456 4.120 0.000 0.000 0.305 4436 V C 1.407 177.463 176.094 -0.063 0.000 1.078 4436 V CA 0.319 62.560 62.300 -0.098 0.000 1.083 4436 V CB 1.443 33.178 31.823 -0.146 0.000 1.039 4436 V HN 0.123 nan 8.190 nan 0.000 0.481 4437 D N 2.432 122.805 120.400 -0.046 0.000 2.249 4437 D HA 0.126 4.766 4.640 0.000 0.000 0.205 4437 D C 0.695 176.985 176.300 -0.018 0.000 0.962 4437 D CA 1.776 55.772 54.000 -0.008 0.000 0.860 4437 D CB 0.372 41.191 40.800 0.031 0.000 0.955 4437 D HN 0.826 nan 8.370 nan 0.000 0.505 4438 M N -1.937 117.617 119.600 -0.076 0.000 2.895 4438 M HA 0.426 4.906 4.480 0.000 0.000 0.271 4438 M C -2.082 174.115 176.300 -0.172 0.000 1.174 4438 M CA -0.874 54.385 55.300 -0.067 0.000 0.816 4438 M CB 2.770 35.375 32.600 0.008 0.000 1.647 4438 M HN -0.402 nan 8.290 nan 0.000 0.506 4439 V N 2.160 122.020 119.914 -0.091 0.000 2.531 4439 V HA 0.561 4.681 4.120 0.000 0.000 0.301 4439 V C -1.440 174.708 176.094 0.089 0.000 1.034 4439 V CA -0.391 61.838 62.300 -0.118 0.000 0.865 4439 V CB 1.984 33.763 31.823 -0.073 0.000 0.995 4439 V HN 0.656 nan 8.190 nan 0.000 0.424 4440 F N 3.787 123.723 119.950 -0.024 0.000 2.368 4440 F HA 0.616 5.143 4.527 0.000 0.000 0.362 4440 F C 0.771 176.567 175.800 -0.008 0.000 1.137 4440 F CA -1.558 56.433 58.000 -0.016 0.000 1.161 4440 F CB 0.729 39.724 39.000 -0.007 0.000 1.265 4440 F HN 0.501 nan 8.300 nan 0.000 0.530 4441 A N 2.956 125.881 122.820 0.175 0.000 2.310 4441 A HA 0.536 4.856 4.320 0.000 0.000 0.300 4441 A C 0.357 177.997 177.584 0.093 0.000 1.269 4441 A CA -0.471 51.629 52.037 0.105 0.000 0.909 4441 A CB -0.196 18.845 19.000 0.069 0.000 1.144 4441 A HN 0.623 nan 8.150 nan 0.000 0.540 4442 S N 1.504 117.278 115.700 0.122 0.000 2.576 4442 S HA 0.408 4.878 4.470 0.000 0.000 0.276 4442 S C 0.078 174.810 174.600 0.219 0.000 1.339 4442 S CA -0.194 58.087 58.200 0.136 0.000 1.039 4442 S CB -0.267 63.067 63.200 0.224 0.000 0.902 4442 S HN 0.792 nan 8.310 nan 0.000 0.516 4443 F N -0.867 119.097 119.950 0.025 0.000 3.100 4443 F HA -0.164 4.363 4.527 0.000 0.000 0.283 4443 F C 0.299 176.107 175.800 0.013 0.000 0.900 4443 F CA -0.176 57.834 58.000 0.015 0.000 1.010 4443 F CB -1.502 37.505 39.000 0.011 0.000 1.029 4443 F HN 0.432 nan 8.300 nan 0.000 0.637 4444 I N 0.924 121.542 120.570 0.080 0.000 2.741 4444 I HA -0.079 4.091 4.170 0.000 0.000 0.288 4444 I C 1.448 177.603 176.117 0.062 0.000 1.192 4444 I CA 0.821 62.157 61.300 0.060 0.000 1.426 4444 I CB 0.686 38.695 38.000 0.016 0.000 1.367 4444 I HN 0.327 nan 8.210 nan 0.000 0.563 4445 R N 5.054 125.592 120.500 0.064 0.000 2.419 4445 R HA 0.183 4.523 4.340 0.000 0.000 0.235 4445 R C -0.031 176.286 176.300 0.028 0.000 0.899 4445 R CA 0.027 56.164 56.100 0.062 0.000 1.048 4445 R CB 0.583 30.933 30.300 0.083 0.000 1.182 4445 R HN 0.654 nan 8.270 nan 0.000 0.544 4446 K N -1.955 118.445 120.400 -0.001 0.000 2.615 4446 K HA 0.493 4.813 4.320 0.000 0.000 0.291 4446 K C -0.043 176.500 176.600 -0.096 0.000 1.017 4446 K CA -0.247 56.022 56.287 -0.031 0.000 0.882 4446 K CB 0.968 33.464 32.500 -0.007 0.000 1.522 4446 K HN -0.155 nan 8.250 nan 0.000 0.412 4447 A N 1.155 123.894 122.820 -0.135 0.000 1.892 4447 A HA -0.201 4.119 4.320 0.000 0.000 0.218 4447 A C 2.311 179.581 177.584 -0.523 0.000 1.188 4447 A CA 2.934 54.786 52.037 -0.310 0.000 0.631 4447 A CB -1.310 17.582 19.000 -0.179 0.000 0.822 4447 A HN 0.908 nan 8.150 nan 0.000 0.447 4448 A N 0.508 123.236 122.820 -0.154 0.000 1.903 4448 A HA -0.292 4.028 4.320 0.000 0.000 0.219 4448 A C 1.729 179.303 177.584 -0.017 0.000 1.191 4448 A CA 2.091 54.153 52.037 0.042 0.000 0.638 4448 A CB -0.837 18.217 19.000 0.089 0.000 0.823 4448 A HN 0.594 nan 8.150 nan 0.000 0.451 4449 D N 0.037 120.412 120.400 -0.042 0.000 2.133 4449 D HA -0.149 4.491 4.640 0.000 0.000 0.195 4449 D C 2.043 178.323 176.300 -0.032 0.000 0.997 4449 D CA 1.705 55.698 54.000 -0.012 0.000 0.840 4449 D CB -0.884 39.921 40.800 0.009 0.000 0.947 4449 D HN 0.304 nan 8.370 nan 0.000 0.452 4450 V N 1.153 120.990 119.914 -0.128 0.000 2.287 4450 V HA -0.271 3.849 4.120 0.000 0.000 0.248 4450 V C 2.200 178.270 176.094 -0.041 0.000 1.053 4450 V CA 1.827 64.051 62.300 -0.128 0.000 1.027 4450 V CB -0.926 30.764 31.823 -0.223 0.000 0.646 4450 V HN 0.303 nan 8.190 nan 0.000 0.447 4451 H N 0.127 119.202 119.070 0.008 0.000 2.319 4451 H HA -0.159 4.397 4.556 0.000 0.000 0.299 4451 H C 2.479 177.814 175.328 0.011 0.000 1.092 4451 H CA 1.665 57.717 56.048 0.007 0.000 1.302 4451 H CB 0.016 29.781 29.762 0.005 0.000 1.373 4451 H HN 0.501 nan 8.280 nan 0.000 0.497 4452 E N 0.392 120.680 120.200 0.147 0.000 2.118 4452 E HA -0.145 4.205 4.350 0.000 0.000 0.195 4452 E C 2.293 178.931 176.600 0.063 0.000 0.992 4452 E CA 1.292 57.744 56.400 0.087 0.000 0.804 4452 E CB 0.026 29.765 29.700 0.066 0.000 0.741 4452 E HN 0.277 nan 8.360 nan 0.000 0.458 4453 V N 0.999 120.945 119.914 0.054 0.000 2.667 4453 V HA -0.164 3.956 4.120 0.000 0.000 0.252 4453 V C 2.256 178.373 176.094 0.039 0.000 1.065 4453 V CA 1.323 63.647 62.300 0.038 0.000 1.083 4453 V CB -0.386 31.454 31.823 0.028 0.000 0.692 4453 V HN 0.079 nan 8.190 nan 0.000 0.468 4454 R N 0.935 121.470 120.500 0.058 0.000 2.066 4454 R HA -0.097 4.243 4.340 0.000 0.000 0.232 4454 R C 2.269 178.596 176.300 0.045 0.000 1.131 4454 R CA 1.412 57.547 56.100 0.058 0.000 0.955 4454 R CB -0.382 29.972 30.300 0.090 0.000 0.851 4454 R HN 0.295 nan 8.270 nan 0.000 0.432 4455 K N 0.705 121.136 120.400 0.051 0.000 2.000 4455 K HA -0.159 4.161 4.320 0.000 0.000 0.218 4455 K C 2.044 178.661 176.600 0.029 0.000 1.053 4455 K CA 1.639 57.948 56.287 0.037 0.000 0.946 4455 K CB -0.804 31.720 32.500 0.040 0.000 0.723 4455 K HN 0.204 nan 8.250 nan 0.000 0.446 4456 I N 1.485 122.074 120.570 0.031 0.000 2.151 4456 I HA -0.264 3.906 4.170 0.000 0.000 0.243 4456 I C 2.481 178.608 176.117 0.017 0.000 1.080 4456 I CA 1.369 62.684 61.300 0.025 0.000 1.339 4456 I CB -1.305 36.711 38.000 0.027 0.000 1.039 4456 I HN 0.098 nan 8.210 nan 0.000 0.409 4457 L N 0.161 121.391 121.223 0.012 0.000 2.141 4457 L HA 0.014 4.354 4.340 0.000 0.000 0.209 4457 L C 1.684 178.557 176.870 0.005 0.000 1.094 4457 L CA 0.710 55.551 54.840 0.001 0.000 0.763 4457 L CB -1.158 40.900 42.059 -0.002 0.000 0.908 4457 L HN 0.457 nan 8.230 nan 0.000 0.437 4458 G N 0.642 109.450 108.800 0.013 0.000 2.586 4458 G HA2 -0.449 3.511 3.960 0.000 0.000 0.308 4458 G HA3 -0.449 3.511 3.960 0.000 0.000 0.308 4458 G C 0.627 175.533 174.900 0.010 0.000 1.317 4458 G CA 0.739 45.847 45.100 0.013 0.000 0.922 4458 G HN 0.374 nan 8.290 nan 0.000 0.551 4459 E N -0.317 119.889 120.200 0.009 0.000 2.130 4459 E HA -0.183 4.167 4.350 0.000 0.000 0.196 4459 E C 2.386 178.989 176.600 0.005 0.000 0.998 4459 E CA 2.267 58.672 56.400 0.007 0.000 0.806 4459 E CB -0.180 29.524 29.700 0.007 0.000 0.738 4459 E HN 0.559 nan 8.360 nan 0.000 0.459 4460 K N -1.317 119.084 120.400 0.002 0.000 2.148 4460 K HA -0.036 4.284 4.320 0.000 0.000 0.204 4460 K C 1.034 177.630 176.600 -0.007 0.000 1.050 4460 K CA 1.213 57.499 56.287 -0.003 0.000 0.942 4460 K CB -0.045 32.452 32.500 -0.005 0.000 0.724 4460 K HN 0.201 nan 8.250 nan 0.000 0.446 4461 G N 1.017 109.813 108.800 -0.006 0.000 4.433 4461 G HA2 0.048 4.008 3.960 0.000 0.000 0.304 4461 G HA3 0.048 4.008 3.960 0.000 0.000 0.304 4461 G C 0.446 175.348 174.900 0.002 0.000 1.254 4461 G CA -0.467 44.628 45.100 -0.009 0.000 0.999 4461 G HN 0.288 nan 8.290 nan 0.000 0.576 4462 K N -0.933 119.473 120.400 0.009 0.000 2.288 4462 K HA 0.021 4.341 4.320 0.000 0.000 0.201 4462 K C 1.261 177.876 176.600 0.025 0.000 1.048 4462 K CA 1.125 57.422 56.287 0.017 0.000 0.956 4462 K CB -0.073 32.437 32.500 0.017 0.000 0.746 4462 K HN 0.269 nan 8.250 nan 0.000 0.461 4463 N N 0.260 118.974 118.700 0.023 0.000 2.336 4463 N HA 0.170 4.910 4.740 0.000 0.000 0.189 4463 N C -0.515 175.017 175.510 0.036 0.000 1.113 4463 N CA -0.275 52.796 53.050 0.035 0.000 0.858 4463 N CB 0.216 38.724 38.487 0.034 0.000 0.970 4463 N HN 0.119 nan 8.380 nan 0.000 0.471 4464 I N 1.847 122.430 120.570 0.021 0.000 2.395 4464 I HA 0.059 4.229 4.170 0.000 0.000 0.289 4464 I C 0.080 176.215 176.117 0.029 0.000 1.023 4464 I CA -0.649 60.659 61.300 0.015 0.000 1.350 4464 I CB 0.796 38.787 38.000 -0.014 0.000 1.409 4464 I HN -0.117 nan 8.210 nan 0.000 0.507 4465 K N 7.386 127.811 120.400 0.042 0.000 2.350 4465 K HA 0.364 4.684 4.320 0.000 0.000 0.279 4465 K C -0.389 176.241 176.600 0.051 0.000 1.027 4465 K CA 0.007 56.328 56.287 0.057 0.000 0.969 4465 K CB 0.855 33.402 32.500 0.077 0.000 0.954 4465 K HN 0.519 nan 8.250 nan 0.000 0.474 4466 I N 4.762 125.362 120.570 0.051 0.000 2.337 4466 I HA 0.118 4.288 4.170 0.000 0.000 0.285 4466 I C -0.270 175.883 176.117 0.061 0.000 1.041 4466 I CA -0.756 60.575 61.300 0.052 0.000 1.199 4466 I CB 0.644 38.664 38.000 0.033 0.000 1.370 4466 I HN 0.201 nan 8.210 nan 0.000 0.470 4467 I N 5.146 125.786 120.570 0.117 0.000 2.291 4467 I HA 0.171 4.341 4.170 0.000 0.000 0.290 4467 I C 0.659 176.820 176.117 0.073 0.000 1.050 4467 I CA -0.099 61.259 61.300 0.097 0.000 1.245 4467 I CB 0.686 38.794 38.000 0.180 0.000 1.405 4467 I HN 0.394 nan 8.210 nan 0.000 0.478 4468 S N 6.870 122.581 115.700 0.018 0.000 2.528 4468 S HA 0.241 4.711 4.470 0.000 0.000 0.277 4468 S C 0.346 174.935 174.600 -0.018 0.000 1.297 4468 S CA -0.554 57.650 58.200 0.007 0.000 1.052 4468 S CB 0.584 63.778 63.200 -0.009 0.000 0.917 4468 S HN 0.352 nan 8.310 nan 0.000 0.492 4469 K N 2.999 123.380 120.400 -0.032 0.000 2.253 4469 K HA 0.327 4.647 4.320 0.000 0.000 0.277 4469 K C -0.643 175.881 176.600 -0.126 0.000 1.053 4469 K CA -0.467 55.763 56.287 -0.095 0.000 0.892 4469 K CB 0.655 33.090 32.500 -0.109 0.000 1.102 4469 K HN 0.438 nan 8.250 nan 0.000 0.469 4470 I N 4.255 124.750 120.570 -0.124 0.000 2.291 4470 I HA 0.052 4.222 4.170 0.000 0.000 0.292 4470 I C 0.739 176.723 176.117 -0.222 0.000 1.064 4470 I CA 0.138 61.360 61.300 -0.131 0.000 1.269 4470 I CB 0.333 38.283 38.000 -0.083 0.000 1.418 4470 I HN 0.750 nan 8.210 nan 0.000 0.485 4471 E N 5.693 125.701 120.200 -0.320 0.000 2.968 4471 E HA 0.214 4.564 4.350 0.000 0.000 0.202 4471 E C -0.309 176.130 176.600 -0.268 0.000 0.979 4471 E CA -0.493 55.665 56.400 -0.404 0.000 1.192 4471 E CB 0.536 29.824 29.700 -0.687 0.000 1.059 4471 E HN 0.725 nan 8.360 nan 0.000 0.470 4472 N N -0.251 118.370 118.700 -0.132 0.000 3.185 4472 N HA 0.018 4.758 4.740 0.000 0.000 0.238 4472 N C 0.224 175.735 175.510 0.001 0.000 1.451 4472 N CA -0.558 52.492 53.050 -0.000 0.000 0.888 4472 N CB 0.632 39.235 38.487 0.194 0.000 1.413 4472 N HN -0.168 nan 8.380 nan 0.000 0.511 4473 H N 0.498 119.575 119.070 0.013 0.000 2.289 4473 H HA -0.123 4.433 4.556 0.000 0.000 0.294 4473 H C 1.167 176.501 175.328 0.010 0.000 1.095 4473 H CA 2.411 58.459 56.048 0.001 0.000 1.256 4473 H CB 0.220 29.985 29.762 0.005 0.000 1.359 4473 H HN 0.647 nan 8.280 nan 0.000 0.487 4474 E N -0.281 120.020 120.200 0.169 0.000 2.077 4474 E HA -0.126 4.224 4.350 0.000 0.000 0.193 4474 E C 2.487 179.137 176.600 0.083 0.000 0.989 4474 E CA 0.714 57.178 56.400 0.106 0.000 0.800 4474 E CB -0.204 29.550 29.700 0.090 0.000 0.746 4474 E HN 0.508 nan 8.360 nan 0.000 0.452 4475 G N 0.504 109.348 108.800 0.074 0.000 2.440 4475 G HA2 -0.251 3.709 3.960 0.000 0.000 0.218 4475 G HA3 -0.251 3.709 3.960 0.000 0.000 0.218 4475 G C 1.657 176.606 174.900 0.081 0.000 1.154 4475 G CA 0.996 46.132 45.100 0.060 0.000 0.767 4475 G HN 0.166 nan 8.290 nan 0.000 0.552 4476 V N 0.458 120.395 119.914 0.038 0.000 2.323 4476 V HA -0.093 4.027 4.120 0.000 0.000 0.244 4476 V C 2.729 178.871 176.094 0.080 0.000 1.041 4476 V CA 1.885 64.197 62.300 0.019 0.000 1.025 4476 V CB -0.520 31.256 31.823 -0.079 0.000 0.656 4476 V HN 0.367 nan 8.190 nan 0.000 0.451 4477 R N 0.534 121.079 120.500 0.074 0.000 2.133 4477 R HA -0.167 4.173 4.340 0.000 0.000 0.247 4477 R C 1.658 178.003 176.300 0.076 0.000 1.151 4477 R CA 1.650 57.795 56.100 0.074 0.000 0.971 4477 R CB -0.021 30.326 30.300 0.079 0.000 0.866 4477 R HN 0.470 nan 8.270 nan 0.000 0.447 4478 R N -0.666 119.882 120.500 0.080 0.000 2.633 4478 R HA 0.055 4.395 4.340 0.000 0.000 0.348 4478 R C 0.958 177.284 176.300 0.043 0.000 1.100 4478 R CA -0.337 55.792 56.100 0.049 0.000 1.068 4478 R CB 0.038 30.353 30.300 0.024 0.000 1.351 4478 R HN 0.153 nan 8.270 nan 0.000 0.575 4479 F N 2.597 122.527 119.950 -0.034 0.000 2.063 4479 F HA -0.291 4.236 4.527 -0.000 0.000 0.298 4479 F C 1.486 177.261 175.800 -0.042 0.000 1.109 4479 F CA 1.918 59.890 58.000 -0.045 0.000 1.212 4479 F CB 0.045 39.011 39.000 -0.055 0.000 0.973 4479 F HN -0.004 nan 8.300 nan 0.000 0.480 4480 D N 0.474 120.670 120.400 -0.339 0.000 2.103 4480 D HA -0.275 4.365 4.640 0.000 0.000 0.190 4480 D C 2.201 178.298 176.300 -0.339 0.000 0.997 4480 D CA 2.108 55.875 54.000 -0.388 0.000 0.833 4480 D CB -0.776 39.954 40.800 -0.116 0.000 0.961 4480 D HN 0.729 nan 8.370 nan 0.000 0.447 4481 E N 0.615 120.695 120.200 -0.200 0.000 2.153 4481 E HA -0.146 4.204 4.350 0.000 0.000 0.194 4481 E C 2.300 178.779 176.600 -0.201 0.000 0.988 4481 E CA 0.772 57.082 56.400 -0.149 0.000 0.811 4481 E CB -0.428 29.223 29.700 -0.080 0.000 0.746 4481 E HN 0.322 nan 8.360 nan 0.000 0.466 4482 I N 0.482 120.898 120.570 -0.256 0.000 2.202 4482 I HA -0.206 3.964 4.170 0.000 0.000 0.242 4482 I C 2.492 178.427 176.117 -0.303 0.000 1.091 4482 I CA 0.541 61.693 61.300 -0.246 0.000 1.368 4482 I CB -0.335 37.566 38.000 -0.165 0.000 1.058 4482 I HN 0.190 nan 8.210 nan 0.000 0.410 4483 L N 1.598 122.502 121.223 -0.531 0.000 2.042 4483 L HA -0.229 4.111 4.340 0.000 0.000 0.210 4483 L C 2.467 179.187 176.870 -0.249 0.000 1.076 4483 L CA 2.157 56.709 54.840 -0.481 0.000 0.749 4483 L CB -0.967 40.587 42.059 -0.842 0.000 0.893 4483 L HN 0.291 nan 8.230 nan 0.000 0.432 4484 E N -0.003 120.064 120.200 -0.223 0.000 2.077 4484 E HA -0.167 4.183 4.350 0.000 0.000 0.193 4484 E C 1.987 178.544 176.600 -0.072 0.000 0.989 4484 E CA 1.705 58.035 56.400 -0.117 0.000 0.800 4484 E CB -0.482 29.166 29.700 -0.087 0.000 0.746 4484 E HN 0.457 nan 8.360 nan 0.000 0.452 4485 A N 0.278 123.040 122.820 -0.097 0.000 2.066 4485 A HA 0.068 4.388 4.320 0.000 0.000 0.218 4485 A C 1.255 178.806 177.584 -0.055 0.000 1.157 4485 A CA 0.880 52.877 52.037 -0.066 0.000 0.670 4485 A CB -0.280 18.596 19.000 -0.206 0.000 0.804 4485 A HN 0.305 nan 8.150 nan 0.000 0.453 4486 S N -0.242 115.411 115.700 -0.078 0.000 2.722 4486 S HA 0.389 4.859 4.470 0.000 0.000 0.292 4486 S C -0.139 174.452 174.600 -0.015 0.000 1.135 4486 S CA -0.551 57.623 58.200 -0.043 0.000 1.003 4486 S CB 1.087 64.260 63.200 -0.045 0.000 1.067 4486 S HN 0.288 nan 8.310 nan 0.000 0.546 4487 D N 0.481 120.886 120.400 0.007 0.000 2.249 4487 D HA 0.275 4.915 4.640 0.000 0.000 0.205 4487 D C 0.867 177.167 176.300 0.000 0.000 0.962 4487 D CA 0.874 54.892 54.000 0.029 0.000 0.860 4487 D CB 0.064 40.894 40.800 0.051 0.000 0.955 4487 D HN 0.700 nan 8.370 nan 0.000 0.505 4488 G N -0.473 108.316 108.800 -0.018 0.000 2.451 4488 G HA2 0.475 4.435 3.960 0.000 0.000 0.292 4488 G HA3 0.475 4.435 3.960 0.000 0.000 0.292 4488 G C -1.686 173.194 174.900 -0.034 0.000 1.427 4488 G CA -0.663 44.407 45.100 -0.049 0.000 0.792 4488 G HN -0.085 nan 8.290 nan 0.000 0.498 4489 I N 0.400 120.942 120.570 -0.047 0.000 2.828 4489 I HA 0.587 4.757 4.170 0.000 0.000 0.302 4489 I C -0.459 175.588 176.117 -0.116 0.000 1.101 4489 I CA -0.804 60.480 61.300 -0.028 0.000 1.031 4489 I CB 2.225 40.285 38.000 0.101 0.000 1.231 4489 I HN 0.587 nan 8.210 nan 0.000 0.427 4490 M N 4.843 124.362 119.600 -0.136 0.000 2.259 4490 M HA 0.438 4.918 4.480 0.000 0.000 0.304 4490 M C -1.613 174.586 176.300 -0.169 0.000 1.019 4490 M CA -0.705 54.468 55.300 -0.211 0.000 0.922 4490 M CB 1.902 34.312 32.600 -0.317 0.000 1.600 4490 M HN 0.280 nan 8.290 nan 0.000 0.433 4491 V N 4.857 124.669 119.914 -0.169 0.000 2.356 4491 V HA 0.319 4.439 4.120 0.000 0.000 0.258 4491 V C 0.575 176.574 176.094 -0.158 0.000 1.065 4491 V CA -0.431 61.771 62.300 -0.164 0.000 0.935 4491 V CB 0.300 32.026 31.823 -0.161 0.000 1.061 4491 V HN 0.870 nan 8.190 nan 0.000 0.484 4492 A N 5.426 128.145 122.820 -0.169 0.000 2.922 4492 A HA 0.375 4.695 4.320 0.000 0.000 0.298 4492 A C 1.412 178.910 177.584 -0.143 0.000 1.588 4492 A CA -0.439 51.502 52.037 -0.161 0.000 1.288 4492 A CB -0.296 18.589 19.000 -0.192 0.000 1.130 4492 A HN 0.878 nan 8.150 nan 0.000 0.557 4493 R N 1.421 121.855 120.500 -0.111 0.000 2.120 4493 R HA -0.118 4.222 4.340 0.000 0.000 0.234 4493 R C 2.311 178.566 176.300 -0.075 0.000 1.123 4493 R CA 1.649 57.695 56.100 -0.091 0.000 0.975 4493 R CB -0.252 30.007 30.300 -0.068 0.000 0.866 4493 R HN 0.691 nan 8.270 nan 0.000 0.446 4494 G N 1.212 109.978 108.800 -0.058 0.000 2.679 4494 G HA2 -0.314 3.646 3.960 0.000 0.000 0.217 4494 G HA3 -0.314 3.646 3.960 0.000 0.000 0.217 4494 G C 1.032 175.910 174.900 -0.038 0.000 1.267 4494 G CA 1.304 46.386 45.100 -0.031 0.000 0.799 4494 G HN 0.241 nan 8.290 nan 0.000 0.606 4495 D N -0.043 120.327 120.400 -0.049 0.000 2.178 4495 D HA -0.068 4.572 4.640 0.000 0.000 0.202 4495 D C 2.490 178.746 176.300 -0.072 0.000 0.974 4495 D CA 0.681 54.662 54.000 -0.032 0.000 0.841 4495 D CB -0.033 40.729 40.800 -0.063 0.000 0.953 4495 D HN 0.185 nan 8.370 nan 0.000 0.478 4496 L N 1.169 122.315 121.223 -0.128 0.000 2.083 4496 L HA -0.044 4.296 4.340 0.000 0.000 0.209 4496 L C 2.251 179.047 176.870 -0.123 0.000 1.083 4496 L CA 1.896 56.651 54.840 -0.142 0.000 0.752 4496 L CB -0.885 41.074 42.059 -0.166 0.000 0.899 4496 L HN -0.022 nan 8.230 nan 0.000 0.433 4497 G N 0.091 108.831 108.800 -0.101 0.000 2.462 4497 G HA2 -0.210 3.750 3.960 0.000 0.000 0.220 4497 G HA3 -0.210 3.750 3.960 0.000 0.000 0.220 4497 G C 1.356 176.189 174.900 -0.113 0.000 1.121 4497 G CA 1.179 46.223 45.100 -0.093 0.000 0.758 4497 G HN 0.502 nan 8.290 nan 0.000 0.559 4498 I N -0.612 119.888 120.570 -0.116 0.000 2.731 4498 I HA 0.139 4.309 4.170 0.000 0.000 0.260 4498 I C 2.052 178.102 176.117 -0.112 0.000 1.138 4498 I CA 0.318 61.512 61.300 -0.175 0.000 1.461 4498 I CB -1.308 36.562 38.000 -0.218 0.000 1.128 4498 I HN 0.014 nan 8.210 nan 0.000 0.438 4499 E N 2.303 122.475 120.200 -0.048 0.000 2.110 4499 E HA -0.026 4.324 4.350 0.000 0.000 0.193 4499 E C 1.236 177.818 176.600 -0.030 0.000 0.988 4499 E CA 0.969 57.374 56.400 0.009 0.000 0.804 4499 E CB 0.262 29.991 29.700 0.049 0.000 0.745 4499 E HN 0.621 nan 8.360 nan 0.000 0.458 4500 I N -1.341 119.139 120.570 -0.150 0.000 3.108 4500 I HA 0.407 4.577 4.170 0.000 0.000 0.312 4500 I C -2.776 173.271 176.117 -0.116 0.000 1.095 4500 I CA -2.740 58.428 61.300 -0.219 0.000 1.000 4500 I CB 2.258 39.927 38.000 -0.553 0.000 1.229 4500 I HN -0.320 nan 8.210 nan 0.000 0.454 4501 P HA 0.094 nan 4.420 nan 0.000 0.264 4501 P C 0.463 177.736 177.300 -0.046 0.000 1.193 4501 P CA 0.177 63.254 63.100 -0.040 0.000 0.763 4501 P CB 0.810 32.507 31.700 -0.005 0.000 0.810 4502 A N 5.006 127.804 122.820 -0.036 0.000 1.927 4502 A HA -0.247 4.073 4.320 0.000 0.000 0.220 4502 A C 1.852 179.453 177.584 0.028 0.000 1.185 4502 A CA 1.882 53.908 52.037 -0.019 0.000 0.639 4502 A CB -0.990 17.999 19.000 -0.019 0.000 0.820 4502 A HN 0.661 nan 8.150 nan 0.000 0.451 4503 E N 0.319 120.546 120.200 0.046 0.000 2.409 4503 E HA -0.172 4.178 4.350 0.000 0.000 0.198 4503 E C 1.411 178.107 176.600 0.161 0.000 1.024 4503 E CA 1.438 57.908 56.400 0.118 0.000 0.861 4503 E CB -0.271 29.487 29.700 0.095 0.000 0.788 4503 E HN 0.690 nan 8.360 nan 0.000 0.521 4504 K N 0.448 120.853 120.400 0.009 0.000 2.323 4504 K HA 0.106 4.426 4.320 0.000 0.000 0.197 4504 K C 2.100 178.537 176.600 -0.272 0.000 1.043 4504 K CA 0.492 56.691 56.287 -0.147 0.000 0.997 4504 K CB 0.384 32.803 32.500 -0.135 0.000 0.807 4504 K HN -0.068 nan 8.250 nan 0.000 0.497 4505 V N 2.130 121.967 119.914 -0.128 0.000 2.439 4505 V HA -0.294 3.826 4.120 0.000 0.000 0.253 4505 V C 2.074 178.088 176.094 -0.133 0.000 1.074 4505 V CA 2.048 64.273 62.300 -0.125 0.000 1.076 4505 V CB -0.774 31.017 31.823 -0.053 0.000 0.664 4505 V HN 0.347 nan 8.190 nan 0.000 0.461 4506 F N -0.784 119.114 119.950 -0.085 0.000 2.367 4506 F HA 0.071 4.598 4.527 0.000 0.000 0.298 4506 F C 1.912 177.659 175.800 -0.089 0.000 1.094 4506 F CA 0.989 58.940 58.000 -0.081 0.000 1.409 4506 F CB -0.926 38.037 39.000 -0.062 0.000 1.064 4506 F HN 0.046 nan 8.300 nan 0.000 0.528 4507 L N 0.975 121.410 121.223 -1.314 0.000 2.017 4507 L HA -0.133 4.207 4.340 0.000 0.000 0.208 4507 L C 2.996 179.608 176.870 -0.430 0.000 1.073 4507 L CA 1.335 55.648 54.840 -0.878 0.000 0.745 4507 L CB -1.091 40.483 42.059 -0.808 0.000 0.894 4507 L HN 0.354 nan 8.230 nan 0.000 0.432 4508 A N -0.520 122.069 122.820 -0.385 0.000 1.930 4508 A HA -0.274 4.046 4.320 0.000 0.000 0.217 4508 A C 2.256 179.670 177.584 -0.282 0.000 1.175 4508 A CA 1.793 53.648 52.037 -0.304 0.000 0.627 4508 A CB -0.580 18.257 19.000 -0.272 0.000 0.815 4508 A HN 0.528 nan 8.150 nan 0.000 0.443 4509 Q N -0.131 119.536 119.800 -0.221 0.000 2.084 4509 Q HA -0.208 4.132 4.340 0.000 0.000 0.202 4509 Q C 1.906 177.809 176.000 -0.161 0.000 0.978 4509 Q CA 1.949 57.651 55.803 -0.169 0.000 0.844 4509 Q CB -0.147 28.539 28.738 -0.086 0.000 0.898 4509 Q HN 0.664 nan 8.270 nan 0.000 0.426 4510 K N 0.007 120.327 120.400 -0.133 0.000 2.062 4510 K HA -0.097 4.223 4.320 0.000 0.000 0.205 4510 K C 2.235 178.745 176.600 -0.149 0.000 1.051 4510 K CA 1.280 57.505 56.287 -0.102 0.000 0.941 4510 K CB -0.222 32.257 32.500 -0.036 0.000 0.719 4510 K HN 0.305 nan 8.250 nan 0.000 0.440 4511 M N 1.522 121.003 119.600 -0.199 0.000 2.080 4511 M HA -0.177 4.303 4.480 0.000 0.000 0.260 4511 M C 1.885 178.005 176.300 -0.300 0.000 1.068 4511 M CA 1.756 56.926 55.300 -0.216 0.000 1.109 4511 M CB -0.369 32.093 32.600 -0.230 0.000 1.342 4511 M HN 0.135 nan 8.290 nan 0.000 0.405 4512 I N 0.413 120.715 120.570 -0.447 0.000 2.113 4512 I HA -0.359 3.811 4.170 0.000 0.000 0.238 4512 I C 2.501 178.424 176.117 -0.323 0.000 1.070 4512 I CA 1.414 62.309 61.300 -0.675 0.000 1.332 4512 I CB -0.573 37.014 38.000 -0.688 0.000 1.044 4512 I HN 0.291 nan 8.210 nan 0.000 0.402 4513 I N 0.892 121.332 120.570 -0.216 0.000 2.163 4513 I HA -0.250 3.920 4.170 0.000 0.000 0.243 4513 I C 2.729 178.796 176.117 -0.083 0.000 1.085 4513 I CA 1.813 63.040 61.300 -0.122 0.000 1.347 4513 I CB -1.246 36.693 38.000 -0.102 0.000 1.044 4513 I HN 0.315 nan 8.210 nan 0.000 0.408 4514 G N 0.976 109.720 108.800 -0.094 0.000 2.446 4514 G HA2 -0.247 3.713 3.960 0.000 0.000 0.217 4514 G HA3 -0.247 3.713 3.960 0.000 0.000 0.217 4514 G C 1.808 176.690 174.900 -0.030 0.000 1.168 4514 G CA 0.502 45.563 45.100 -0.065 0.000 0.771 4514 G HN 0.348 nan 8.290 nan 0.000 0.551 4515 R N -0.737 119.761 120.500 -0.004 0.000 2.148 4515 R HA 0.002 4.342 4.340 0.000 0.000 0.227 4515 R C 2.545 178.916 176.300 0.118 0.000 1.103 4515 R CA 0.963 57.126 56.100 0.106 0.000 0.983 4515 R CB -0.489 29.998 30.300 0.312 0.000 0.874 4515 R HN 0.386 nan 8.270 nan 0.000 0.451 4516 C N 0.277 119.634 119.300 0.094 0.000 2.457 4516 C HA 0.011 4.471 4.460 0.000 0.000 0.278 4516 C C 2.222 177.215 174.990 0.006 0.000 1.309 4516 C CA 0.374 59.432 59.018 0.066 0.000 1.735 4516 C CB -1.040 26.725 27.740 0.042 0.000 1.992 4516 C HN 0.561 nan 8.230 nan 0.000 0.493 4517 N N 0.350 119.041 118.700 -0.015 0.000 2.084 4517 N HA -0.178 4.562 4.740 0.000 0.000 0.190 4517 N C 2.069 177.545 175.510 -0.057 0.000 1.030 4517 N CA 0.942 53.969 53.050 -0.039 0.000 0.849 4517 N CB -0.240 38.222 38.487 -0.041 0.000 1.012 4517 N HN 0.507 nan 8.380 nan 0.000 0.423 4518 R N 0.815 121.291 120.500 -0.039 0.000 2.096 4518 R HA -0.065 4.275 4.340 0.000 0.000 0.235 4518 R C 1.882 178.156 176.300 -0.043 0.000 1.127 4518 R CA 1.405 57.479 56.100 -0.045 0.000 0.968 4518 R CB -0.025 30.259 30.300 -0.026 0.000 0.861 4518 R HN 0.151 nan 8.270 nan 0.000 0.440 4519 A N -1.005 121.801 122.820 -0.023 0.000 1.997 4519 A HA 0.248 4.568 4.320 0.000 0.000 0.212 4519 A C 1.474 179.045 177.584 -0.023 0.000 1.178 4519 A CA 0.885 52.910 52.037 -0.019 0.000 0.698 4519 A CB 0.164 19.159 19.000 -0.009 0.000 0.842 4519 A HN 0.535 nan 8.150 nan 0.000 0.458 4520 G N -1.078 107.707 108.800 -0.026 0.000 2.148 4520 G HA2 -0.166 3.794 3.960 0.000 0.000 0.203 4520 G HA3 -0.166 3.794 3.960 0.000 0.000 0.203 4520 G C -0.013 174.921 174.900 0.057 0.000 0.993 4520 G CA 0.195 45.288 45.100 -0.010 0.000 0.661 4520 G HN 0.513 nan 8.290 nan 0.000 0.518 4521 K N 1.237 121.654 120.400 0.027 0.000 2.159 4521 K HA 0.538 4.858 4.320 0.000 0.000 0.266 4521 K C -2.471 174.088 176.600 -0.068 0.000 0.975 4521 K CA -2.184 54.112 56.287 0.014 0.000 0.865 4521 K CB 1.860 34.362 32.500 0.002 0.000 1.087 4521 K HN -0.050 nan 8.250 nan 0.000 0.446 4522 P HA -0.078 nan 4.420 nan 0.000 0.264 4522 P C -0.869 176.315 177.300 -0.192 0.000 1.183 4522 P CA -0.114 62.783 63.100 -0.339 0.000 0.763 4522 P CB 0.623 31.923 31.700 -0.667 0.000 0.807 4523 V N 5.042 124.859 119.914 -0.162 0.000 2.823 4523 V HA 0.565 4.685 4.120 0.000 0.000 0.312 4523 V C -0.682 175.321 176.094 -0.152 0.000 1.072 4523 V CA -0.988 61.236 62.300 -0.127 0.000 0.937 4523 V CB 1.755 33.527 31.823 -0.084 0.000 1.013 4523 V HN 0.291 nan 8.190 nan 0.000 0.430 4524 I N 5.483 125.951 120.570 -0.171 0.000 2.498 4524 I HA 0.454 4.624 4.170 0.000 0.000 0.290 4524 I C -0.534 175.483 176.117 -0.166 0.000 1.032 4524 I CA -0.437 60.749 61.300 -0.189 0.000 1.073 4524 I CB 1.794 39.622 38.000 -0.286 0.000 1.251 4524 I HN 0.646 nan 8.210 nan 0.000 0.426 4525 C N 6.214 125.434 119.300 -0.133 0.000 2.319 4525 C HA 0.914 5.374 4.460 0.000 0.000 0.335 4525 C C 0.306 175.232 174.990 -0.107 0.000 1.274 4525 C CA 0.015 58.966 59.018 -0.112 0.000 1.806 4525 C CB -0.260 27.430 27.740 -0.083 0.000 2.329 4525 C HN 0.896 nan 8.230 nan 0.000 0.524 4526 A N 4.202 126.959 122.820 -0.105 0.000 2.527 4526 A HA 0.928 5.248 4.320 0.000 0.000 0.293 4526 A C -0.148 177.399 177.584 -0.062 0.000 1.117 4526 A CA -0.144 51.840 52.037 -0.088 0.000 0.723 4526 A CB 0.985 19.914 19.000 -0.118 0.000 1.313 4526 A HN 1.520 nan 8.150 nan 0.000 0.411 4527 T N 1.011 115.542 114.554 -0.037 0.000 0.618 4527 T HA -0.091 4.259 4.350 0.000 0.000 0.766 4527 T C 0.059 174.750 174.700 -0.016 0.000 0.991 4527 T CA 0.964 63.051 62.100 -0.020 0.000 4.037 4527 T CB -1.315 67.537 68.868 -0.028 0.000 2.281 4527 T HN 1.540 nan 8.240 nan 0.000 0.395 4528 Q N 0.076 119.874 119.800 -0.003 0.000 2.503 4528 Q HA -0.248 4.092 4.340 0.000 0.000 0.267 4528 Q C 1.466 177.463 176.000 -0.005 0.000 1.030 4528 Q CA 1.397 57.200 55.803 -0.001 0.000 1.041 4528 Q CB -1.029 27.706 28.738 -0.004 0.000 1.406 4528 Q HN 0.835 nan 8.270 nan 0.000 0.524 4529 M N -0.609 118.988 119.600 -0.006 0.000 2.123 4529 M HA -0.083 4.397 4.480 0.000 0.000 0.263 4529 M C 1.151 177.449 176.300 -0.003 0.000 1.069 4529 M CA 1.436 56.731 55.300 -0.008 0.000 1.133 4529 M CB 0.196 32.789 32.600 -0.011 0.000 1.356 4529 M HN 0.238 nan 8.290 nan 0.000 0.415 4530 L N -0.254 120.971 121.223 0.004 0.000 3.141 4530 L HA 0.156 4.496 4.340 0.000 0.000 0.263 4530 L C 1.111 177.988 176.870 0.012 0.000 1.312 4530 L CA -0.402 54.442 54.840 0.007 0.000 1.012 4530 L CB 0.113 42.180 42.059 0.014 0.000 1.408 4530 L HN 0.119 nan 8.230 nan 0.000 0.559 4531 E N 1.722 121.927 120.200 0.008 0.000 2.068 4531 E HA -0.303 4.047 4.350 0.000 0.000 0.207 4531 E C 2.189 178.797 176.600 0.014 0.000 1.032 4531 E CA 2.491 58.897 56.400 0.011 0.000 0.839 4531 E CB -0.001 29.703 29.700 0.007 0.000 0.758 4531 E HN 0.521 nan 8.360 nan 0.000 0.457 4532 S N -0.260 115.446 115.700 0.009 0.000 2.423 4532 S HA -0.251 4.219 4.470 0.000 0.000 0.238 4532 S C 1.876 176.493 174.600 0.027 0.000 1.028 4532 S CA 1.701 59.907 58.200 0.011 0.000 1.000 4532 S CB -0.573 62.627 63.200 -0.000 0.000 0.797 4532 S HN 0.364 nan 8.310 nan 0.000 0.487 4533 M N 0.261 119.882 119.600 0.034 0.000 2.700 4533 M HA 0.176 4.656 4.480 0.000 0.000 0.249 4533 M C 1.374 177.753 176.300 0.132 0.000 1.082 4533 M CA 0.574 55.917 55.300 0.072 0.000 1.077 4533 M CB -0.640 31.990 32.600 0.050 0.000 1.477 4533 M HN 0.338 nan 8.290 nan 0.000 0.529 4534 I N 0.129 120.749 120.570 0.083 0.000 2.500 4534 I HA -0.218 3.952 4.170 0.000 0.000 0.252 4534 I C 2.188 178.352 176.117 0.078 0.000 1.142 4534 I CA 1.066 62.402 61.300 0.060 0.000 1.451 4534 I CB 0.017 38.026 38.000 0.015 0.000 1.093 4534 I HN 0.177 nan 8.210 nan 0.000 0.430 4535 K N 0.006 120.472 120.400 0.111 0.000 2.387 4535 K HA 0.271 4.591 4.320 0.000 0.000 0.197 4535 K C 0.435 177.197 176.600 0.268 0.000 1.127 4535 K CA 0.382 56.748 56.287 0.131 0.000 0.950 4535 K CB 0.393 32.917 32.500 0.041 0.000 1.017 4535 K HN 0.082 nan 8.250 nan 0.000 0.519 4536 K N 0.649 121.152 120.400 0.172 0.000 2.258 4536 K HA 0.256 4.576 4.320 0.000 0.000 0.236 4536 K C -2.094 174.269 176.600 -0.394 0.000 1.008 4536 K CA -1.961 54.320 56.287 -0.009 0.000 0.869 4536 K CB 1.396 33.870 32.500 -0.043 0.000 1.171 4536 K HN -0.273 nan 8.250 nan 0.000 0.447 4537 P HA 0.104 nan 4.420 nan 0.000 0.245 4537 P C -0.726 176.347 177.300 -0.378 0.000 1.203 4537 P CA 0.374 62.903 63.100 -0.951 0.000 0.792 4537 P CB 0.652 31.857 31.700 -0.824 0.000 0.997 4538 R N 0.315 120.673 120.500 -0.236 0.000 2.621 4538 R HA 0.501 4.841 4.340 0.000 0.000 0.292 4538 R C -2.628 173.622 176.300 -0.082 0.000 0.969 4538 R CA -2.102 53.921 56.100 -0.128 0.000 0.887 4538 R CB 1.573 31.813 30.300 -0.100 0.000 1.180 4538 R HN -0.044 nan 8.270 nan 0.000 0.450 4539 P HA 0.089 nan 4.420 nan 0.000 0.278 4539 P C -0.210 177.072 177.300 -0.029 0.000 1.266 4539 P CA -0.507 62.574 63.100 -0.032 0.000 0.807 4539 P CB 0.651 32.339 31.700 -0.021 0.000 1.094 4540 T N -0.935 113.606 114.554 -0.021 0.000 2.729 4540 T HA 0.211 4.561 4.350 0.000 0.000 0.298 4540 T C 1.343 176.031 174.700 -0.020 0.000 1.013 4540 T CA -0.370 61.718 62.100 -0.020 0.000 0.957 4540 T CB 0.403 69.262 68.868 -0.015 0.000 1.130 4540 T HN 0.108 nan 8.240 nan 0.000 0.526 4541 R N 0.221 120.709 120.500 -0.021 0.000 2.093 4541 R HA 0.257 4.597 4.340 0.000 0.000 0.224 4541 R C 2.737 179.023 176.300 -0.023 0.000 1.101 4541 R CA 1.390 57.477 56.100 -0.022 0.000 0.979 4541 R CB -1.950 28.336 30.300 -0.023 0.000 0.877 4541 R HN 0.816 nan 8.270 nan 0.000 0.441 4542 A N 1.328 124.135 122.820 -0.023 0.000 1.908 4542 A HA -0.195 4.125 4.320 0.000 0.000 0.218 4542 A C 2.067 179.638 177.584 -0.022 0.000 1.181 4542 A CA 1.652 53.674 52.037 -0.025 0.000 0.627 4542 A CB -0.372 18.614 19.000 -0.023 0.000 0.818 4542 A HN 0.366 nan 8.150 nan 0.000 0.445 4543 E N -0.837 119.353 120.200 -0.018 0.000 2.031 4543 E HA -0.104 4.246 4.350 0.000 0.000 0.193 4543 E C 2.185 178.776 176.600 -0.015 0.000 0.994 4543 E CA 0.913 57.304 56.400 -0.015 0.000 0.800 4543 E CB -0.431 29.262 29.700 -0.012 0.000 0.752 4543 E HN 0.594 nan 8.360 nan 0.000 0.447 4544 G N 0.561 109.351 108.800 -0.016 0.000 2.442 4544 G HA2 -0.342 3.618 3.960 0.000 0.000 0.219 4544 G HA3 -0.342 3.618 3.960 0.000 0.000 0.219 4544 G C 1.633 176.523 174.900 -0.016 0.000 1.141 4544 G CA 1.206 46.296 45.100 -0.016 0.000 0.763 4544 G HN 0.367 nan 8.290 nan 0.000 0.554 4545 S N 0.479 116.167 115.700 -0.020 0.000 2.368 4545 S HA -0.148 4.322 4.470 0.000 0.000 0.224 4545 S C 1.971 176.560 174.600 -0.018 0.000 1.029 4545 S CA 1.861 60.048 58.200 -0.021 0.000 0.988 4545 S CB -0.421 62.763 63.200 -0.028 0.000 0.838 4545 S HN 0.315 nan 8.310 nan 0.000 0.462 4546 D N 0.847 121.235 120.400 -0.019 0.000 2.103 4546 D HA -0.119 4.521 4.640 0.000 0.000 0.190 4546 D C 1.970 178.261 176.300 -0.015 0.000 0.997 4546 D CA 1.886 55.875 54.000 -0.017 0.000 0.833 4546 D CB -0.605 40.185 40.800 -0.017 0.000 0.961 4546 D HN 0.291 nan 8.370 nan 0.000 0.447 4547 V N 0.921 120.827 119.914 -0.013 0.000 2.231 4547 V HA -0.296 3.824 4.120 0.000 0.000 0.248 4547 V C 2.579 178.666 176.094 -0.011 0.000 1.054 4547 V CA 2.195 64.488 62.300 -0.013 0.000 1.015 4547 V CB -1.190 30.628 31.823 -0.009 0.000 0.638 4547 V HN 0.378 nan 8.190 nan 0.000 0.444 4548 A N 0.232 123.047 122.820 -0.009 0.000 1.869 4548 A HA -0.370 3.950 4.320 0.000 0.000 0.218 4548 A C 2.040 179.626 177.584 0.002 0.000 1.203 4548 A CA 2.772 54.807 52.037 -0.004 0.000 0.638 4548 A CB -1.165 17.831 19.000 -0.006 0.000 0.831 4548 A HN 0.704 nan 8.150 nan 0.000 0.450 4549 N N -0.283 118.418 118.700 0.001 0.000 2.205 4549 N HA -0.075 4.665 4.740 0.000 0.000 0.186 4549 N C 1.861 177.372 175.510 0.002 0.000 1.015 4549 N CA 1.044 54.099 53.050 0.007 0.000 0.862 4549 N CB -0.242 38.246 38.487 0.001 0.000 0.986 4549 N HN 0.546 nan 8.380 nan 0.000 0.429 4550 A N 0.445 123.260 122.820 -0.008 0.000 1.930 4550 A HA -0.077 4.243 4.320 0.000 0.000 0.217 4550 A C 2.325 179.899 177.584 -0.017 0.000 1.175 4550 A CA 1.042 53.068 52.037 -0.017 0.000 0.627 4550 A CB -0.575 18.409 19.000 -0.027 0.000 0.815 4550 A HN 0.102 nan 8.150 nan 0.000 0.443 4551 V N -0.316 119.593 119.914 -0.009 0.000 2.307 4551 V HA -0.200 3.920 4.120 0.000 0.000 0.245 4551 V C 2.448 178.545 176.094 0.004 0.000 1.045 4551 V CA 1.659 63.956 62.300 -0.004 0.000 1.024 4551 V CB -0.758 31.066 31.823 0.001 0.000 0.651 4551 V HN 0.457 nan 8.190 nan 0.000 0.449 4552 L N 0.120 121.351 121.223 0.014 0.000 2.083 4552 L HA -0.157 4.183 4.340 0.000 0.000 0.209 4552 L C 2.143 179.022 176.870 0.014 0.000 1.083 4552 L CA 1.783 56.640 54.840 0.029 0.000 0.752 4552 L CB -1.219 40.874 42.059 0.057 0.000 0.899 4552 L HN 0.343 nan 8.230 nan 0.000 0.433 4553 D N -0.619 119.782 120.400 0.002 0.000 2.218 4553 D HA -0.039 4.601 4.640 0.000 0.000 0.204 4553 D C 1.754 178.038 176.300 -0.026 0.000 0.976 4553 D CA 1.405 55.397 54.000 -0.015 0.000 0.853 4553 D CB 0.111 40.899 40.800 -0.020 0.000 0.939 4553 D HN 0.443 nan 8.370 nan 0.000 0.481 4554 G N -0.549 108.238 108.800 -0.022 0.000 2.183 4554 G HA2 -0.091 3.869 3.960 0.000 0.000 0.168 4554 G HA3 -0.091 3.869 3.960 0.000 0.000 0.168 4554 G C 0.404 175.285 174.900 -0.031 0.000 1.008 4554 G CA 0.114 45.201 45.100 -0.022 0.000 0.677 4554 G HN 0.545 nan 8.290 nan 0.000 0.498 4555 A N 0.352 123.147 122.820 -0.041 0.000 2.546 4555 A HA 0.483 4.803 4.320 0.000 0.000 0.243 4555 A C 1.094 178.644 177.584 -0.056 0.000 1.063 4555 A CA 1.304 53.306 52.037 -0.059 0.000 0.757 4555 A CB 0.100 19.061 19.000 -0.066 0.000 0.991 4555 A HN 0.314 nan 8.150 nan 0.000 0.503 4556 D N 0.469 120.821 120.400 -0.079 0.000 2.183 4556 D HA 0.038 4.678 4.640 0.000 0.000 0.203 4556 D C 0.134 176.386 176.300 -0.080 0.000 0.969 4556 D CA 1.364 55.316 54.000 -0.080 0.000 0.842 4556 D CB 0.042 40.760 40.800 -0.136 0.000 0.957 4556 D HN 0.525 nan 8.370 nan 0.000 0.484 4557 C N 0.067 119.309 119.300 -0.095 0.000 2.994 4557 C HA 0.662 5.122 4.460 0.000 0.000 0.304 4557 C C -0.690 174.249 174.990 -0.085 0.000 1.273 4557 C CA -1.195 57.770 59.018 -0.088 0.000 1.537 4557 C CB 1.508 29.185 27.740 -0.106 0.000 2.001 4557 C HN 0.230 nan 8.230 nan 0.000 0.471 4558 I N -0.050 120.480 120.570 -0.067 0.000 2.689 4558 I HA 0.777 4.947 4.170 0.000 0.000 0.299 4558 I C -1.111 174.978 176.117 -0.048 0.000 1.059 4558 I CA -0.787 60.479 61.300 -0.056 0.000 1.055 4558 I CB 1.844 39.822 38.000 -0.036 0.000 1.243 4558 I HN 0.700 nan 8.210 nan 0.000 0.425 4559 M N 5.009 124.582 119.600 -0.046 0.000 2.662 4559 M HA 0.606 5.086 4.480 0.000 0.000 0.310 4559 M C -1.866 174.432 176.300 -0.004 0.000 1.204 4559 M CA -0.841 54.444 55.300 -0.025 0.000 0.891 4559 M CB 2.845 35.416 32.600 -0.048 0.000 1.732 4559 M HN 0.603 nan 8.290 nan 0.000 0.467 4560 L N 1.762 122.997 121.223 0.019 0.000 2.372 4560 L HA 0.427 4.767 4.340 0.000 0.000 0.274 4560 L C -0.233 176.664 176.870 0.045 0.000 0.988 4560 L CA -0.258 54.599 54.840 0.029 0.000 0.833 4560 L CB 2.025 44.105 42.059 0.034 0.000 1.236 4560 L HN 0.796 nan 8.230 nan 0.000 0.410 4561 S N 1.631 117.357 115.700 0.043 0.000 2.970 4561 S HA 0.106 4.576 4.470 0.000 0.000 0.165 4561 S C 1.675 176.306 174.600 0.052 0.000 0.813 4561 S CA 0.487 58.723 58.200 0.059 0.000 1.195 4561 S CB -0.197 63.038 63.200 0.057 0.000 0.633 4561 S HN 0.863 nan 8.310 nan 0.000 0.543 4562 G N 1.076 109.899 108.800 0.039 0.000 2.499 4562 G HA2 -0.218 3.742 3.960 0.000 0.000 0.221 4562 G HA3 -0.218 3.742 3.960 0.000 0.000 0.221 4562 G C 1.013 175.927 174.900 0.024 0.000 1.109 4562 G CA 1.134 46.248 45.100 0.022 0.000 0.749 4562 G HN 0.523 nan 8.290 nan 0.000 0.568 4563 E N -0.011 120.208 120.200 0.032 0.000 2.160 4563 E HA -0.096 4.254 4.350 0.000 0.000 0.195 4563 E C 2.705 179.330 176.600 0.042 0.000 0.991 4563 E CA 1.830 58.254 56.400 0.040 0.000 0.810 4563 E CB -0.135 29.590 29.700 0.041 0.000 0.742 4563 E HN 0.631 nan 8.360 nan 0.000 0.466 4564 T N -3.248 111.331 114.554 0.042 0.000 2.999 4564 T HA 0.390 4.740 4.350 0.000 0.000 0.247 4564 T C 1.983 176.709 174.700 0.044 0.000 1.012 4564 T CA 0.180 62.306 62.100 0.044 0.000 1.048 4564 T CB 0.013 68.911 68.868 0.050 0.000 1.020 4564 T HN 0.130 nan 8.240 nan 0.000 0.478 4565 A N 3.373 126.222 122.820 0.048 0.000 1.877 4565 A HA -0.033 4.287 4.320 0.000 0.000 0.216 4565 A C 2.194 179.795 177.584 0.029 0.000 1.186 4565 A CA 1.979 54.047 52.037 0.052 0.000 0.620 4565 A CB -0.377 18.653 19.000 0.049 0.000 0.822 4565 A HN 0.751 nan 8.150 nan 0.000 0.443 4566 K N -2.444 117.959 120.400 0.005 0.000 2.567 4566 K HA 0.315 4.635 4.320 0.000 0.000 0.218 4566 K C 1.022 177.607 176.600 -0.026 0.000 1.440 4566 K CA 0.324 56.603 56.287 -0.013 0.000 0.995 4566 K CB -0.382 32.098 32.500 -0.033 0.000 1.186 4566 K HN 0.282 nan 8.250 nan 0.000 0.593 4567 G N 1.165 109.955 108.800 -0.016 0.000 2.794 4567 G HA2 -0.060 3.900 3.960 0.000 0.000 0.249 4567 G HA3 -0.060 3.900 3.960 0.000 0.000 0.249 4567 G C -0.179 174.681 174.900 -0.066 0.000 1.236 4567 G CA 0.062 45.149 45.100 -0.022 0.000 0.880 4567 G HN 0.188 nan 8.290 nan 0.000 0.586 4568 D N -1.047 119.284 120.400 -0.115 0.000 2.333 4568 D HA 0.010 4.650 4.640 0.000 0.000 0.208 4568 D C -0.076 175.901 176.300 -0.538 0.000 0.984 4568 D CA 1.071 54.866 54.000 -0.342 0.000 0.873 4568 D CB 0.324 40.847 40.800 -0.462 0.000 0.935 4568 D HN 0.376 nan 8.370 nan 0.000 0.521 4569 Y N -0.166 120.133 120.300 -0.002 0.000 2.470 4569 Y HA 0.223 4.773 4.550 0.000 0.000 0.352 4569 Y C -1.768 174.135 175.900 0.005 0.000 0.967 4569 Y CA -1.781 56.320 58.100 0.001 0.000 1.121 4569 Y CB 1.385 39.845 38.460 0.000 0.000 1.149 4569 Y HN -0.089 nan 8.280 nan 0.000 0.641 4570 P HA -0.137 nan 4.420 nan 0.000 0.215 4570 P C 1.549 178.892 177.300 0.071 0.000 1.157 4570 P CA 1.379 64.519 63.100 0.068 0.000 0.859 4570 P CB 0.617 32.339 31.700 0.037 0.000 0.786 4571 L N -0.613 120.652 121.223 0.071 0.000 2.046 4571 L HA -0.167 4.173 4.340 0.000 0.000 0.208 4571 L C 2.559 179.468 176.870 0.065 0.000 1.077 4571 L CA 1.688 56.562 54.840 0.058 0.000 0.747 4571 L CB -1.186 40.906 42.059 0.054 0.000 0.896 4571 L HN -0.048 nan 8.230 nan 0.000 0.432 4572 E N 0.527 120.787 120.200 0.100 0.000 2.058 4572 E HA -0.209 4.141 4.350 0.000 0.000 0.194 4572 E C 2.290 178.925 176.600 0.058 0.000 0.997 4572 E CA 1.547 57.993 56.400 0.078 0.000 0.801 4572 E CB -0.313 29.442 29.700 0.092 0.000 0.746 4572 E HN 0.449 nan 8.360 nan 0.000 0.450 4573 A N 0.267 123.132 122.820 0.075 0.000 1.902 4573 A HA -0.178 4.142 4.320 0.000 0.000 0.217 4573 A C 2.476 180.090 177.584 0.049 0.000 1.181 4573 A CA 1.572 53.644 52.037 0.058 0.000 0.623 4573 A CB -0.750 18.291 19.000 0.068 0.000 0.818 4573 A HN 0.158 nan 8.150 nan 0.000 0.443 4574 V N 0.044 119.987 119.914 0.048 0.000 2.295 4574 V HA -0.283 3.837 4.120 0.000 0.000 0.246 4574 V C 2.632 178.760 176.094 0.056 0.000 1.049 4574 V CA 2.317 64.642 62.300 0.042 0.000 1.024 4574 V CB -0.866 30.973 31.823 0.026 0.000 0.648 4574 V HN 0.558 nan 8.190 nan 0.000 0.447 4575 R N -0.919 119.610 120.500 0.048 0.000 2.096 4575 R HA -0.165 4.175 4.340 0.000 0.000 0.235 4575 R C 2.249 178.614 176.300 0.108 0.000 1.127 4575 R CA 1.571 57.710 56.100 0.065 0.000 0.968 4575 R CB -0.488 29.834 30.300 0.038 0.000 0.861 4575 R HN 0.321 nan 8.270 nan 0.000 0.440 4576 M N 1.259 120.900 119.600 0.068 0.000 2.117 4576 M HA -0.177 4.303 4.480 0.000 0.000 0.262 4576 M C 1.948 178.284 176.300 0.058 0.000 1.065 4576 M CA 1.733 57.064 55.300 0.051 0.000 1.114 4576 M CB -0.447 32.168 32.600 0.025 0.000 1.361 4576 M HN 0.103 nan 8.290 nan 0.000 0.408 4577 Q N -1.684 118.154 119.800 0.064 0.000 2.084 4577 Q HA -0.256 4.084 4.340 0.000 0.000 0.202 4577 Q C 2.124 178.168 176.000 0.073 0.000 0.978 4577 Q CA 2.051 57.886 55.803 0.054 0.000 0.844 4577 Q CB -0.443 28.320 28.738 0.042 0.000 0.898 4577 Q HN 0.710 nan 8.270 nan 0.000 0.426 4578 H N 0.376 119.454 119.070 0.013 0.000 2.352 4578 H HA -0.093 4.463 4.556 0.000 0.000 0.299 4578 H C 1.841 177.187 175.328 0.031 0.000 1.097 4578 H CA 1.494 57.557 56.048 0.026 0.000 1.311 4578 H CB -0.115 29.665 29.762 0.030 0.000 1.377 4578 H HN 0.126 nan 8.280 nan 0.000 0.504 4579 L N -0.445 120.797 121.223 0.032 0.000 2.027 4579 L HA -0.109 4.231 4.340 0.000 0.000 0.206 4579 L C 2.402 179.237 176.870 -0.058 0.000 1.074 4579 L CA 1.242 56.068 54.840 -0.023 0.000 0.745 4579 L CB -0.238 41.854 42.059 0.055 0.000 0.898 4579 L HN 0.350 nan 8.230 nan 0.000 0.433 4580 I N -0.492 120.061 120.570 -0.027 0.000 2.353 4580 I HA -0.229 3.941 4.170 0.000 0.000 0.248 4580 I C 2.769 178.863 176.117 -0.037 0.000 1.119 4580 I CA 0.935 62.219 61.300 -0.026 0.000 1.417 4580 I CB -0.448 37.545 38.000 -0.011 0.000 1.078 4580 I HN 0.174 nan 8.210 nan 0.000 0.421 4581 A N 1.020 123.809 122.820 -0.051 0.000 1.883 4581 A HA -0.236 4.084 4.320 0.000 0.000 0.217 4581 A C 2.429 179.982 177.584 -0.052 0.000 1.186 4581 A CA 1.614 53.623 52.037 -0.046 0.000 0.624 4581 A CB -0.645 18.328 19.000 -0.045 0.000 0.822 4581 A HN 0.285 nan 8.150 nan 0.000 0.444 4582 R N -0.616 119.816 120.500 -0.113 0.000 2.103 4582 R HA -0.152 4.188 4.340 0.000 0.000 0.242 4582 R C 2.132 178.416 176.300 -0.028 0.000 1.142 4582 R CA 1.546 57.594 56.100 -0.088 0.000 0.960 4582 R CB -0.336 29.869 30.300 -0.158 0.000 0.858 4582 R HN 0.581 nan 8.270 nan 0.000 0.439 4583 E N 0.253 120.436 120.200 -0.029 0.000 2.051 4583 E HA -0.153 4.197 4.350 0.000 0.000 0.192 4583 E C 1.968 178.574 176.600 0.010 0.000 0.991 4583 E CA 1.347 57.742 56.400 -0.008 0.000 0.799 4583 E CB -0.229 29.462 29.700 -0.015 0.000 0.748 4583 E HN 0.337 nan 8.360 nan 0.000 0.449 4584 A N 1.278 124.102 122.820 0.007 0.000 1.930 4584 A HA -0.190 4.130 4.320 0.000 0.000 0.217 4584 A C 2.058 179.668 177.584 0.044 0.000 1.175 4584 A CA 1.460 53.510 52.037 0.021 0.000 0.627 4584 A CB -0.404 18.603 19.000 0.011 0.000 0.815 4584 A HN 0.190 nan 8.150 nan 0.000 0.443 4585 E N -0.145 120.085 120.200 0.050 0.000 2.038 4585 E HA -0.135 4.215 4.350 0.000 0.000 0.195 4585 E C 2.317 179.012 176.600 0.160 0.000 1.000 4585 E CA 1.221 57.680 56.400 0.097 0.000 0.803 4585 E CB -0.324 29.431 29.700 0.092 0.000 0.750 4585 E HN 0.594 nan 8.360 nan 0.000 0.448 4586 A N 1.073 123.970 122.820 0.129 0.000 1.978 4586 A HA -0.124 4.196 4.320 0.000 0.000 0.220 4586 A C 2.213 179.897 177.584 0.166 0.000 1.170 4586 A CA 1.613 53.746 52.037 0.159 0.000 0.636 4586 A CB -0.553 18.498 19.000 0.086 0.000 0.810 4586 A HN 0.287 nan 8.150 nan 0.000 0.448 4587 A N -0.813 122.069 122.820 0.104 0.000 2.252 4587 A HA 0.390 4.710 4.320 0.000 0.000 0.207 4587 A C 0.974 178.665 177.584 0.178 0.000 1.194 4587 A CA 0.054 52.150 52.037 0.099 0.000 0.809 4587 A CB -0.625 18.400 19.000 0.041 0.000 0.814 4587 A HN 0.609 nan 8.150 nan 0.000 0.482 4588 M N -1.844 117.796 119.600 0.068 0.000 2.283 4588 M HA 0.342 4.822 4.480 0.000 0.000 0.314 4588 M C -0.038 176.214 176.300 -0.080 0.000 1.153 4588 M CA -0.420 54.842 55.300 -0.064 0.000 1.084 4588 M CB 0.394 32.830 32.600 -0.272 0.000 1.468 4588 M HN 0.149 nan 8.290 nan 0.000 0.474 4589 F N 1.733 121.469 119.950 -0.356 0.000 2.660 4589 F HA 0.247 4.774 4.527 0.000 0.000 0.342 4589 F C 0.913 176.555 175.800 -0.262 0.000 1.195 4589 F CA -0.817 56.890 58.000 -0.489 0.000 1.300 4589 F CB -1.386 37.279 39.000 -0.558 0.000 1.616 4589 F HN 0.588 nan 8.300 nan 0.000 0.592 4590 H N -0.231 118.896 119.070 0.095 0.000 2.330 4590 H HA -0.238 4.318 4.556 0.000 0.000 0.290 4590 H C 2.553 177.794 175.328 -0.146 0.000 1.111 4590 H CA 2.438 58.475 56.048 -0.019 0.000 1.226 4590 H CB -0.012 29.662 29.762 -0.146 0.000 1.355 4590 H HN 0.271 nan 8.280 nan 0.000 0.485 4591 R N 1.228 121.652 120.500 -0.126 0.000 2.080 4591 R HA -0.175 4.165 4.340 0.000 0.000 0.236 4591 R C 2.087 178.233 176.300 -0.258 0.000 1.137 4591 R CA 1.924 57.895 56.100 -0.215 0.000 0.943 4591 R CB -0.177 30.020 30.300 -0.171 0.000 0.846 4591 R HN 0.221 nan 8.270 nan 0.000 0.431 4592 K N 0.357 120.364 120.400 -0.655 0.000 2.025 4592 K HA -0.124 4.196 4.320 0.000 0.000 0.207 4592 K C 2.092 178.550 176.600 -0.237 0.000 1.049 4592 K CA 1.048 56.983 56.287 -0.588 0.000 0.933 4592 K CB -0.530 31.365 32.500 -1.009 0.000 0.714 4592 K HN 0.062 nan 8.250 nan 0.000 0.438 4593 L N 0.394 121.519 121.223 -0.165 0.000 1.963 4593 L HA -0.219 4.121 4.340 0.000 0.000 0.220 4593 L C 1.946 178.876 176.870 0.100 0.000 1.076 4593 L CA 1.925 56.755 54.840 -0.016 0.000 0.772 4593 L CB -0.957 41.123 42.059 0.034 0.000 0.892 4593 L HN 0.265 nan 8.230 nan 0.000 0.435 4594 F N 0.729 120.726 119.950 0.078 0.000 2.043 4594 F HA -0.315 4.212 4.527 -0.000 0.000 0.297 4594 F C 2.433 178.295 175.800 0.104 0.000 1.118 4594 F CA 2.430 60.540 58.000 0.183 0.000 1.202 4594 F CB -0.525 38.666 39.000 0.319 0.000 0.965 4594 F HN 0.320 nan 8.300 nan 0.000 0.482 4595 E N -0.285 120.005 120.200 0.149 0.000 2.097 4595 E HA -0.279 4.071 4.350 0.000 0.000 0.196 4595 E C 2.086 178.638 176.600 -0.080 0.000 1.000 4595 E CA 1.829 58.229 56.400 0.001 0.000 0.804 4595 E CB -0.400 29.307 29.700 0.013 0.000 0.740 4595 E HN 0.627 nan 8.360 nan 0.000 0.454 4596 E N 0.076 120.232 120.200 -0.073 0.000 2.208 4596 E HA -0.135 4.215 4.350 0.000 0.000 0.193 4596 E C 1.864 178.418 176.600 -0.077 0.000 0.988 4596 E CA 0.284 56.636 56.400 -0.080 0.000 0.828 4596 E CB 0.143 29.791 29.700 -0.087 0.000 0.763 4596 E HN 0.084 nan 8.360 nan 0.000 0.478 4597 L N 0.405 121.584 121.223 -0.073 0.000 2.109 4597 L HA -0.011 4.329 4.340 0.000 0.000 0.207 4597 L C 2.232 179.090 176.870 -0.020 0.000 1.086 4597 L CA 1.476 56.287 54.840 -0.048 0.000 0.760 4597 L CB -0.967 41.088 42.059 -0.007 0.000 0.910 4597 L HN 0.024 nan 8.230 nan 0.000 0.437 4598 A N -0.843 121.891 122.820 -0.143 0.000 2.014 4598 A HA -0.201 4.119 4.320 0.000 0.000 0.218 4598 A C 2.458 179.988 177.584 -0.091 0.000 1.163 4598 A CA 1.418 53.356 52.037 -0.164 0.000 0.652 4598 A CB -0.423 18.359 19.000 -0.363 0.000 0.808 4598 A HN 0.355 nan 8.150 nan 0.000 0.449 4599 R N 0.390 120.836 120.500 -0.090 0.000 2.075 4599 R HA -0.100 4.240 4.340 0.000 0.000 0.232 4599 R C 2.373 178.619 176.300 -0.090 0.000 1.126 4599 R CA 2.036 58.089 56.100 -0.077 0.000 0.963 4599 R CB -0.385 29.872 30.300 -0.073 0.000 0.858 4599 R HN 0.528 nan 8.270 nan 0.000 0.435 4600 S N -1.342 114.310 115.700 -0.081 0.000 2.461 4600 S HA -0.036 4.434 4.470 0.000 0.000 0.228 4600 S C 1.887 176.440 174.600 -0.078 0.000 1.005 4600 S CA 1.175 59.320 58.200 -0.092 0.000 0.942 4600 S CB -0.098 63.057 63.200 -0.075 0.000 0.776 4600 S HN 0.314 nan 8.310 nan 0.000 0.514 4601 S N 1.206 116.892 115.700 -0.023 0.000 2.558 4601 S HA 0.029 4.499 4.470 0.000 0.000 0.217 4601 S C 1.965 176.584 174.600 0.031 0.000 0.975 4601 S CA 0.954 59.175 58.200 0.035 0.000 0.912 4601 S CB -0.781 62.516 63.200 0.163 0.000 0.776 4601 S HN 0.832 nan 8.310 nan 0.000 0.526 4602 S N 1.380 117.074 115.700 -0.010 0.000 2.399 4602 S HA -0.333 4.137 4.470 0.000 0.000 0.235 4602 S C 1.531 176.219 174.600 0.147 0.000 1.063 4602 S CA 2.032 60.247 58.200 0.024 0.000 1.070 4602 S CB -1.408 61.777 63.200 -0.024 0.000 0.904 4602 S HN 0.858 nan 8.310 nan 0.000 0.456 4603 H N 0.838 119.905 119.070 -0.005 0.000 2.456 4603 H HA 0.092 4.648 4.556 0.000 0.000 0.296 4603 H C 1.443 176.768 175.328 -0.005 0.000 1.079 4603 H CA 0.687 56.731 56.048 -0.006 0.000 1.322 4603 H CB -0.076 29.682 29.762 -0.006 0.000 1.388 4603 H HN 0.516 nan 8.280 nan 0.000 0.538 4604 S N 0.450 116.222 115.700 0.119 0.000 2.562 4604 S HA 0.074 4.544 4.470 0.000 0.000 0.275 4604 S C 1.151 175.773 174.600 0.037 0.000 1.281 4604 S CA -0.229 58.008 58.200 0.062 0.000 1.045 4604 S CB 1.196 64.430 63.200 0.055 0.000 0.962 4604 S HN 0.383 nan 8.310 nan 0.000 0.503 4605 T N 0.103 114.666 114.554 0.014 0.000 3.091 4605 T HA 0.212 4.562 4.350 0.000 0.000 0.277 4605 T C 0.264 174.956 174.700 -0.013 0.000 0.996 4605 T CA -0.430 61.671 62.100 0.000 0.000 0.897 4605 T CB -0.298 68.567 68.868 -0.005 0.000 1.109 4605 T HN 0.701 nan 8.240 nan 0.000 0.534 4606 D N 1.802 122.192 120.400 -0.016 0.000 2.629 4606 D HA -0.066 4.574 4.640 0.000 0.000 0.228 4606 D C 1.155 177.419 176.300 -0.061 0.000 1.127 4606 D CA 0.133 54.102 54.000 -0.051 0.000 0.855 4606 D CB 0.720 41.493 40.800 -0.044 0.000 1.180 4606 D HN 0.245 nan 8.370 nan 0.000 0.484 4607 L N 3.315 124.456 121.223 -0.138 0.000 2.156 4607 L HA -0.159 4.181 4.340 0.000 0.000 0.208 4607 L C 2.337 179.218 176.870 0.018 0.000 1.095 4607 L CA 0.656 55.446 54.840 -0.083 0.000 0.770 4607 L CB -0.368 41.627 42.059 -0.107 0.000 0.914 4607 L HN 0.505 nan 8.230 nan 0.000 0.439 4608 M N -0.195 119.313 119.600 -0.153 0.000 2.447 4608 M HA -0.045 4.435 4.480 0.000 0.000 0.264 4608 M C 1.876 178.246 176.300 0.117 0.000 1.095 4608 M CA 1.412 56.773 55.300 0.101 0.000 1.125 4608 M CB -0.187 32.411 32.600 -0.004 0.000 1.389 4608 M HN 0.075 nan 8.290 nan 0.000 0.459 4609 E N -0.135 120.104 120.200 0.064 0.000 2.028 4609 E HA -0.136 4.214 4.350 0.000 0.000 0.191 4609 E C 1.994 178.602 176.600 0.013 0.000 0.988 4609 E CA 1.242 57.706 56.400 0.107 0.000 0.799 4609 E CB -0.253 29.504 29.700 0.095 0.000 0.755 4609 E HN 0.620 nan 8.360 nan 0.000 0.447 4610 A N 1.330 124.157 122.820 0.011 0.000 1.917 4610 A HA -0.226 4.094 4.320 0.000 0.000 0.219 4610 A C 2.157 179.757 177.584 0.027 0.000 1.182 4610 A CA 1.584 53.621 52.037 0.000 0.000 0.633 4610 A CB -0.404 18.609 19.000 0.022 0.000 0.819 4610 A HN 0.171 nan 8.150 nan 0.000 0.448 4611 M N -0.773 118.885 119.600 0.097 0.000 2.175 4611 M HA -0.072 4.408 4.480 0.000 0.000 0.264 4611 M C 2.533 178.872 176.300 0.064 0.000 1.063 4611 M CA 1.449 56.805 55.300 0.094 0.000 1.119 4611 M CB -1.406 31.290 32.600 0.159 0.000 1.377 4611 M HN 0.507 nan 8.290 nan 0.000 0.415 4612 A N 0.799 123.670 122.820 0.085 0.000 1.845 4612 A HA -0.170 4.150 4.320 0.000 0.000 0.215 4612 A C 2.233 179.846 177.584 0.049 0.000 1.195 4612 A CA 1.705 53.807 52.037 0.107 0.000 0.616 4612 A CB -0.670 18.471 19.000 0.234 0.000 0.832 4612 A HN 0.461 nan 8.150 nan 0.000 0.443 4613 M N -0.524 119.018 119.600 -0.097 0.000 2.082 4613 M HA -0.176 4.304 4.480 0.000 0.000 0.258 4613 M C 2.287 178.625 176.300 0.064 0.000 1.069 4613 M CA 1.712 56.977 55.300 -0.058 0.000 1.102 4613 M CB -0.952 31.448 32.600 -0.333 0.000 1.336 4613 M HN 0.528 nan 8.290 nan 0.000 0.404 4614 G N -0.575 108.225 108.800 0.000 0.000 2.432 4614 G HA2 -0.163 3.797 3.960 0.000 0.000 0.219 4614 G HA3 -0.163 3.797 3.960 0.000 0.000 0.219 4614 G C 1.624 176.488 174.900 -0.061 0.000 1.135 4614 G CA 1.130 46.220 45.100 -0.017 0.000 0.767 4614 G HN 0.446 nan 8.290 nan 0.000 0.550 4615 S N -0.223 115.445 115.700 -0.053 0.000 2.371 4615 S HA -0.046 4.424 4.470 0.000 0.000 0.224 4615 S C 2.524 177.022 174.600 -0.169 0.000 1.029 4615 S CA 0.889 59.043 58.200 -0.077 0.000 0.978 4615 S CB -0.160 63.023 63.200 -0.028 0.000 0.833 4615 S HN 0.184 nan 8.310 nan 0.000 0.466 4616 V N 1.965 121.752 119.914 -0.210 0.000 2.220 4616 V HA -0.193 3.928 4.120 0.000 0.000 0.246 4616 V C 2.568 178.164 176.094 -0.831 0.000 1.049 4616 V CA 2.140 64.154 62.300 -0.477 0.000 1.003 4616 V CB -0.772 30.878 31.823 -0.289 0.000 0.634 4616 V HN 0.370 nan 8.190 nan 0.000 0.444 4617 E N 0.754 120.521 120.200 -0.721 0.000 2.086 4617 E HA -0.289 4.061 4.350 0.000 0.000 0.205 4617 E C 2.104 178.547 176.600 -0.262 0.000 1.027 4617 E CA 2.216 58.306 56.400 -0.516 0.000 0.830 4617 E CB -0.722 28.821 29.700 -0.261 0.000 0.751 4617 E HN 0.527 nan 8.360 nan 0.000 0.456 4618 A N 0.013 122.717 122.820 -0.192 0.000 1.972 4618 A HA -0.194 4.126 4.320 0.000 0.000 0.219 4618 A C 2.383 179.899 177.584 -0.113 0.000 1.169 4618 A CA 2.459 54.428 52.037 -0.113 0.000 0.635 4618 A CB -1.003 17.946 19.000 -0.085 0.000 0.810 4618 A HN 0.459 nan 8.150 nan 0.000 0.446 4619 S N -1.099 114.485 115.700 -0.194 0.000 2.356 4619 S HA -0.218 4.252 4.470 0.000 0.000 0.223 4619 S C 1.921 176.494 174.600 -0.045 0.000 1.032 4619 S CA 1.554 59.666 58.200 -0.147 0.000 1.005 4619 S CB -0.827 62.257 63.200 -0.193 0.000 0.867 4619 S HN 0.499 nan 8.310 nan 0.000 0.449 4620 Y N 2.506 122.729 120.300 -0.129 0.000 2.145 4620 Y HA 0.035 4.585 4.550 -0.000 0.000 0.286 4620 Y C 2.700 178.549 175.900 -0.085 0.000 1.145 4620 Y CA 1.083 59.108 58.100 -0.126 0.000 1.148 4620 Y CB -1.207 37.148 38.460 -0.175 0.000 0.981 4620 Y HN 0.290 nan 8.280 nan 0.000 0.507 4621 K N 0.952 121.417 120.400 0.107 0.000 2.044 4621 K HA -0.184 4.136 4.320 0.000 0.000 0.210 4621 K C 1.715 178.332 176.600 0.028 0.000 1.049 4621 K CA 2.113 58.428 56.287 0.047 0.000 0.927 4621 K CB -0.770 31.740 32.500 0.016 0.000 0.713 4621 K HN 0.476 nan 8.250 nan 0.000 0.443 4622 C N -0.338 118.970 119.300 0.014 0.000 2.881 4622 C HA 0.518 4.978 4.460 0.000 0.000 0.290 4622 C C 0.262 175.259 174.990 0.011 0.000 1.362 4622 C CA -0.961 58.060 59.018 0.007 0.000 1.757 4622 C CB -1.518 26.217 27.740 -0.008 0.000 2.265 4622 C HN 0.439 nan 8.230 nan 0.000 0.600 4623 L N 0.612 121.851 121.223 0.026 0.000 3.879 4623 L HA -0.226 4.114 4.340 0.000 0.000 0.481 4623 L C 1.050 177.931 176.870 0.018 0.000 1.232 4623 L CA 0.580 55.438 54.840 0.030 0.000 0.736 4623 L CB -2.281 39.797 42.059 0.031 0.000 1.511 4623 L HN 0.685 nan 8.230 nan 0.000 0.830 4624 A N 0.346 123.168 122.820 0.003 0.000 2.498 4624 A HA 0.544 4.864 4.320 0.000 0.000 0.239 4624 A C 1.503 179.099 177.584 0.021 0.000 1.068 4624 A CA 0.512 52.544 52.037 -0.009 0.000 0.766 4624 A CB 0.733 19.712 19.000 -0.035 0.000 1.003 4624 A HN 0.738 nan 8.150 nan 0.000 0.497 4625 A N 1.757 124.602 122.820 0.042 0.000 2.015 4625 A HA 0.434 4.754 4.320 0.000 0.000 0.219 4625 A C 1.148 178.850 177.584 0.196 0.000 1.163 4625 A CA 1.915 54.044 52.037 0.153 0.000 0.646 4625 A CB -0.425 18.738 19.000 0.271 0.000 0.806 4625 A HN 2.478 nan 8.150 nan 0.000 0.448 4626 A N -2.332 120.559 122.820 0.119 0.000 2.544 4626 A HA 0.587 4.907 4.320 0.000 0.000 0.291 4626 A C -1.724 175.892 177.584 0.053 0.000 1.055 4626 A CA -0.654 51.459 52.037 0.127 0.000 0.651 4626 A CB 0.159 19.339 19.000 0.300 0.000 1.296 4626 A HN 0.317 nan 8.150 nan 0.000 0.431 4627 L N 1.195 122.457 121.223 0.064 0.000 2.305 4627 L HA 0.588 4.928 4.340 0.000 0.000 0.284 4627 L C -0.585 176.329 176.870 0.073 0.000 1.013 4627 L CA -0.070 54.794 54.840 0.040 0.000 0.819 4627 L CB 1.521 43.597 42.059 0.028 0.000 1.227 4627 L HN 0.574 nan 8.230 nan 0.000 0.417 4628 I N 4.162 124.762 120.570 0.051 0.000 2.321 4628 I HA 0.420 4.590 4.170 0.000 0.000 0.291 4628 I C -0.690 175.455 176.117 0.046 0.000 0.998 4628 I CA -0.689 60.650 61.300 0.065 0.000 1.227 4628 I CB 1.659 39.687 38.000 0.047 0.000 1.368 4628 I HN 0.220 nan 8.210 nan 0.000 0.466 4629 V N 7.395 127.343 119.914 0.057 0.000 2.540 4629 V HA 0.393 4.513 4.120 0.000 0.000 0.302 4629 V C -0.007 176.108 176.094 0.035 0.000 1.035 4629 V CA -0.649 61.676 62.300 0.043 0.000 0.873 4629 V CB 2.185 34.037 31.823 0.048 0.000 0.992 4629 V HN 0.490 nan 8.190 nan 0.000 0.428 4630 L N 4.307 125.543 121.223 0.023 0.000 2.260 4630 L HA 0.654 4.994 4.340 0.000 0.000 0.289 4630 L C 0.221 177.112 176.870 0.035 0.000 1.057 4630 L CA 0.338 55.189 54.840 0.018 0.000 0.811 4630 L CB 1.352 43.405 42.059 -0.010 0.000 1.184 4630 L HN 0.789 nan 8.230 nan 0.000 0.429 4631 T N 1.116 115.689 114.554 0.031 0.000 2.868 4631 T HA 0.343 4.693 4.350 0.000 0.000 0.306 4631 T C 0.071 174.790 174.700 0.032 0.000 1.224 4631 T CA -0.420 61.694 62.100 0.024 0.000 1.012 4631 T CB 1.922 70.778 68.868 -0.021 0.000 1.221 4631 T HN 0.641 nan 8.240 nan 0.000 0.499 4632 E N 0.913 121.132 120.200 0.031 0.000 2.399 4632 E HA 0.093 4.443 4.350 0.000 0.000 0.206 4632 E C 1.816 178.435 176.600 0.031 0.000 0.812 4632 E CA 0.738 57.164 56.400 0.045 0.000 1.138 4632 E CB 0.280 30.020 29.700 0.067 0.000 1.140 4632 E HN 0.648 nan 8.360 nan 0.000 0.536 4633 S N -0.398 115.302 115.700 -0.000 0.000 2.524 4633 S HA 0.255 4.725 4.470 0.000 0.000 0.216 4633 S C 1.694 176.242 174.600 -0.087 0.000 0.987 4633 S CA 0.652 58.843 58.200 -0.014 0.000 0.909 4633 S CB 0.591 63.778 63.200 -0.023 0.000 0.781 4633 S HN 0.300 nan 8.310 nan 0.000 0.521 4634 G N 2.123 110.830 108.800 -0.155 0.000 2.179 4634 G HA2 -0.334 3.626 3.960 0.000 0.000 0.260 4634 G HA3 -0.334 3.626 3.960 0.000 0.000 0.260 4634 G C 1.061 175.396 174.900 -0.942 0.000 0.977 4634 G CA 0.436 45.323 45.100 -0.355 0.000 0.641 4634 G HN 0.475 nan 8.290 nan 0.000 0.533 4635 R N 0.674 120.811 120.500 -0.605 0.000 2.094 4635 R HA -0.090 4.250 4.340 0.000 0.000 0.239 4635 R C 2.797 178.896 176.300 -0.336 0.000 1.137 4635 R CA 1.911 57.704 56.100 -0.511 0.000 0.943 4635 R CB -0.697 29.491 30.300 -0.187 0.000 0.850 4635 R HN 0.435 nan 8.270 nan 0.000 0.433 4636 S N 0.762 116.367 115.700 -0.159 0.000 2.372 4636 S HA -0.250 4.220 4.470 0.000 0.000 0.227 4636 S C 2.093 176.672 174.600 -0.036 0.000 1.044 4636 S CA 1.581 59.766 58.200 -0.024 0.000 1.050 4636 S CB -0.343 62.883 63.200 0.044 0.000 0.901 4636 S HN 0.540 nan 8.310 nan 0.000 0.447 4637 A N 1.957 124.715 122.820 -0.103 0.000 1.858 4637 A HA -0.173 4.147 4.320 0.000 0.000 0.216 4637 A C 1.797 179.405 177.584 0.040 0.000 1.190 4637 A CA 1.785 53.810 52.037 -0.019 0.000 0.617 4637 A CB -1.097 17.904 19.000 0.001 0.000 0.827 4637 A HN 0.570 nan 8.150 nan 0.000 0.443 4638 H N -0.415 118.525 119.070 -0.216 0.000 2.460 4638 H HA -0.110 4.446 4.556 0.000 0.000 0.297 4638 H C 2.086 177.360 175.328 -0.089 0.000 1.103 4638 H CA 1.579 57.428 56.048 -0.332 0.000 1.292 4638 H CB -0.342 29.037 29.762 -0.640 0.000 1.376 4638 H HN 0.422 nan 8.280 nan 0.000 0.531 4639 Q N 0.311 120.156 119.800 0.075 0.000 2.049 4639 Q HA -0.032 4.308 4.340 0.000 0.000 0.198 4639 Q C 2.734 178.855 176.000 0.202 0.000 0.971 4639 Q CA 0.640 56.518 55.803 0.126 0.000 0.833 4639 Q CB -0.530 28.280 28.738 0.119 0.000 0.896 4639 Q HN 0.322 nan 8.270 nan 0.000 0.434 4640 V N 1.102 121.116 119.914 0.166 0.000 2.261 4640 V HA -0.272 3.848 4.120 0.000 0.000 0.246 4640 V C 2.336 178.544 176.094 0.190 0.000 1.047 4640 V CA 1.889 64.301 62.300 0.187 0.000 1.015 4640 V CB -1.259 30.637 31.823 0.122 0.000 0.642 4640 V HN 0.349 nan 8.190 nan 0.000 0.446 4641 A N 1.307 124.216 122.820 0.149 0.000 1.948 4641 A HA -0.272 4.048 4.320 0.000 0.000 0.220 4641 A C 2.335 179.986 177.584 0.112 0.000 1.177 4641 A CA 2.180 54.305 52.037 0.147 0.000 0.636 4641 A CB -0.628 18.477 19.000 0.175 0.000 0.815 4641 A HN 0.724 nan 8.150 nan 0.000 0.449 4642 R N -2.272 118.252 120.500 0.040 0.000 2.189 4642 R HA -0.104 4.236 4.340 0.000 0.000 0.223 4642 R C 1.010 177.137 176.300 -0.288 0.000 1.092 4642 R CA 1.538 57.554 56.100 -0.140 0.000 0.989 4642 R CB -0.540 29.620 30.300 -0.232 0.000 0.876 4642 R HN 0.496 nan 8.270 nan 0.000 0.457 4643 Y N 0.995 121.385 120.300 0.151 0.000 2.490 4643 Y HA 0.243 4.793 4.550 0.000 0.000 0.281 4643 Y C 0.104 176.201 175.900 0.328 0.000 1.174 4643 Y CA -0.312 57.922 58.100 0.224 0.000 1.295 4643 Y CB 0.351 38.979 38.460 0.280 0.000 1.062 4643 Y HN -0.079 nan 8.280 nan 0.000 0.522 4644 R N -0.580 120.103 120.500 0.304 0.000 3.205 4644 R HA -0.151 4.189 4.340 0.000 0.000 0.249 4644 R C -2.913 173.614 176.300 0.379 0.000 0.937 4644 R CA 0.159 56.453 56.100 0.324 0.000 0.641 4644 R CB -2.325 28.182 30.300 0.345 0.000 1.114 4644 R HN 0.289 nan 8.270 nan 0.000 0.451 4645 P HA 0.045 nan 4.420 nan 0.000 0.273 4645 P C 0.681 178.071 177.300 0.150 0.000 1.250 4645 P CA -0.252 62.882 63.100 0.056 0.000 0.793 4645 P CB 0.634 32.309 31.700 -0.040 0.000 1.011 4646 R N 0.738 121.263 120.500 0.042 0.000 2.112 4646 R HA 0.148 4.488 4.340 0.000 0.000 0.216 4646 R C 0.833 177.127 176.300 -0.010 0.000 1.080 4646 R CA 0.384 56.400 56.100 -0.140 0.000 0.996 4646 R CB -0.377 29.707 30.300 -0.359 0.000 0.902 4646 R HN 0.565 nan 8.270 nan 0.000 0.449 4647 A N 2.465 125.283 122.820 -0.005 0.000 2.386 4647 A HA 0.374 4.694 4.320 0.000 0.000 0.248 4647 A C -2.292 175.307 177.584 0.025 0.000 1.082 4647 A CA -1.501 50.537 52.037 0.002 0.000 0.789 4647 A CB 0.050 19.053 19.000 0.005 0.000 1.025 4647 A HN 0.251 nan 8.150 nan 0.000 0.490 4648 P HA 0.218 nan 4.420 nan 0.000 0.271 4648 P C -0.762 176.604 177.300 0.109 0.000 1.216 4648 P CA 0.362 63.485 63.100 0.038 0.000 0.771 4648 P CB 0.368 31.911 31.700 -0.262 0.000 0.864 4649 I N 4.326 125.005 120.570 0.182 0.000 2.291 4649 I HA 0.291 4.461 4.170 0.000 0.000 0.290 4649 I C 0.691 176.941 176.117 0.222 0.000 1.050 4649 I CA -0.536 60.865 61.300 0.167 0.000 1.245 4649 I CB 0.346 38.431 38.000 0.142 0.000 1.405 4649 I HN 0.139 nan 8.210 nan 0.000 0.478 4650 I N 6.149 126.842 120.570 0.204 0.000 2.281 4650 I HA 0.247 4.417 4.170 0.000 0.000 0.293 4650 I C 0.664 176.876 176.117 0.157 0.000 1.085 4650 I CA -0.142 61.291 61.300 0.222 0.000 1.257 4650 I CB 0.931 39.071 38.000 0.233 0.000 1.430 4650 I HN 0.611 nan 8.210 nan 0.000 0.489 4651 A N 7.479 130.387 122.820 0.146 0.000 2.294 4651 A HA 0.520 4.840 4.320 0.000 0.000 0.316 4651 A C -0.168 177.463 177.584 0.078 0.000 1.359 4651 A CA -0.423 51.671 52.037 0.095 0.000 0.956 4651 A CB 0.316 19.364 19.000 0.080 0.000 1.155 4651 A HN 0.468 nan 8.150 nan 0.000 0.544 4652 V N 2.963 122.915 119.914 0.063 0.000 2.432 4652 V HA 0.542 4.662 4.120 0.000 0.000 0.271 4652 V C 0.687 176.801 176.094 0.033 0.000 1.046 4652 V CA 0.135 62.463 62.300 0.047 0.000 0.945 4652 V CB 0.785 32.630 31.823 0.036 0.000 0.992 4652 V HN 0.917 nan 8.190 nan 0.000 0.471 4653 T N 4.073 118.645 114.554 0.031 0.000 2.864 4653 T HA 0.467 4.817 4.350 0.000 0.000 0.299 4653 T C 0.513 175.236 174.700 0.039 0.000 1.166 4653 T CA -0.616 61.506 62.100 0.037 0.000 1.007 4653 T CB 1.905 70.800 68.868 0.044 0.000 1.219 4653 T HN 0.643 nan 8.240 nan 0.000 0.506 4654 R N 0.902 121.446 120.500 0.073 0.000 2.365 4654 R HA 0.263 4.603 4.340 0.000 0.000 0.223 4654 R C 0.188 176.618 176.300 0.216 0.000 0.899 4654 R CA -0.183 55.986 56.100 0.115 0.000 1.059 4654 R CB 0.304 30.665 30.300 0.102 0.000 1.086 4654 R HN 0.320 nan 8.270 nan 0.000 0.522 4655 N N 0.723 119.533 118.700 0.184 0.000 2.462 4655 N HA -0.002 4.738 4.740 0.000 0.000 0.242 4655 N C 0.281 175.960 175.510 0.281 0.000 1.010 4655 N CA 0.053 53.234 53.050 0.219 0.000 0.939 4655 N CB 0.725 39.287 38.487 0.125 0.000 1.127 4655 N HN 0.073 nan 8.380 nan 0.000 0.509 4656 H N 1.999 121.106 119.070 0.062 0.000 2.319 4656 H HA -0.133 4.423 4.556 0.000 0.000 0.299 4656 H C 1.546 176.919 175.328 0.076 0.000 1.092 4656 H CA 1.603 57.699 56.048 0.080 0.000 1.302 4656 H CB -0.091 29.722 29.762 0.086 0.000 1.373 4656 H HN 0.665 nan 8.280 nan 0.000 0.497 4657 Q N 0.189 120.107 119.800 0.197 0.000 2.112 4657 Q HA -0.187 4.153 4.340 0.000 0.000 0.206 4657 Q C 1.779 177.851 176.000 0.120 0.000 0.987 4657 Q CA 2.181 58.062 55.803 0.130 0.000 0.858 4657 Q CB -0.019 28.774 28.738 0.092 0.000 0.905 4657 Q HN 0.483 nan 8.270 nan 0.000 0.420 4658 T N 0.710 115.336 114.554 0.119 0.000 2.652 4658 T HA -0.210 4.140 4.350 0.000 0.000 0.267 4658 T C 1.779 176.535 174.700 0.094 0.000 1.039 4658 T CA 1.494 63.662 62.100 0.113 0.000 1.153 4658 T CB -0.545 68.379 68.868 0.092 0.000 0.863 4658 T HN 0.513 nan 8.240 nan 0.000 0.428 4659 A N 1.942 124.802 122.820 0.068 0.000 1.873 4659 A HA -0.233 4.087 4.320 0.000 0.000 0.218 4659 A C 2.382 179.938 177.584 -0.046 0.000 1.193 4659 A CA 2.060 54.101 52.037 0.006 0.000 0.629 4659 A CB -0.648 18.360 19.000 0.014 0.000 0.826 4659 A HN 0.478 nan 8.150 nan 0.000 0.447 4660 R N -0.860 119.665 120.500 0.041 0.000 2.073 4660 R HA -0.136 4.204 4.340 0.000 0.000 0.234 4660 R C 2.488 178.840 176.300 0.086 0.000 1.134 4660 R CA 1.643 57.788 56.100 0.076 0.000 0.952 4660 R CB -0.401 29.972 30.300 0.123 0.000 0.850 4660 R HN 0.681 nan 8.270 nan 0.000 0.433 4661 Q N 0.017 119.879 119.800 0.102 0.000 2.297 4661 Q HA -0.104 4.236 4.340 0.000 0.000 0.208 4661 Q C 2.064 178.169 176.000 0.174 0.000 0.981 4661 Q CA 1.191 57.077 55.803 0.139 0.000 0.876 4661 Q CB -0.059 28.773 28.738 0.157 0.000 0.921 4661 Q HN 0.393 nan 8.270 nan 0.000 0.446 4662 A N 0.465 123.354 122.820 0.116 0.000 1.972 4662 A HA -0.202 4.118 4.320 0.000 0.000 0.219 4662 A C 1.466 179.133 177.584 0.138 0.000 1.169 4662 A CA 1.131 53.254 52.037 0.143 0.000 0.635 4662 A CB -0.563 18.453 19.000 0.027 0.000 0.810 4662 A HN 0.363 nan 8.150 nan 0.000 0.446 4663 H N -1.037 118.082 119.070 0.082 0.000 2.541 4663 H HA -0.075 4.481 4.556 0.000 0.000 0.289 4663 H C 1.623 176.928 175.328 -0.038 0.000 1.054 4663 H CA 1.061 57.106 56.048 -0.004 0.000 1.250 4663 H CB -0.079 29.675 29.762 -0.013 0.000 1.369 4663 H HN 0.309 nan 8.280 nan 0.000 0.578 4664 L N -0.134 121.127 121.223 0.065 0.000 2.291 4664 L HA -0.073 4.267 4.340 0.000 0.000 0.214 4664 L C -0.025 176.584 176.870 -0.435 0.000 1.120 4664 L CA 0.894 55.608 54.840 -0.211 0.000 0.799 4664 L CB -0.560 41.265 42.059 -0.389 0.000 0.925 4664 L HN 0.076 nan 8.230 nan 0.000 0.446 4665 Y N -0.492 119.754 120.300 -0.090 0.000 2.328 4665 Y HA 0.437 4.987 4.550 0.000 0.000 0.337 4665 Y C 0.804 176.677 175.900 -0.044 0.000 1.008 4665 Y CA -1.145 56.901 58.100 -0.090 0.000 1.129 4665 Y CB 0.492 38.868 38.460 -0.139 0.000 1.185 4665 Y HN -0.111 nan 8.280 nan 0.000 0.476 4666 R N 1.621 122.168 120.500 0.077 0.000 2.523 4666 R HA 0.189 4.529 4.340 0.000 0.000 0.281 4666 R C 1.212 177.556 176.300 0.074 0.000 0.969 4666 R CA 1.479 57.611 56.100 0.052 0.000 1.093 4666 R CB -0.306 30.022 30.300 0.045 0.000 0.917 4666 R HN 1.017 nan 8.270 nan 0.000 0.408 4667 G N 4.070 112.884 108.800 0.023 0.000 2.187 4667 G HA2 -0.303 3.657 3.960 0.000 0.000 0.261 4667 G HA3 -0.303 3.657 3.960 0.000 0.000 0.261 4667 G C 0.099 175.032 174.900 0.055 0.000 1.000 4667 G CA 0.506 45.628 45.100 0.036 0.000 0.718 4667 G HN 0.576 nan 8.290 nan 0.000 0.519 4668 I N 0.190 120.771 120.570 0.019 0.000 2.304 4668 I HA 0.423 4.593 4.170 0.000 0.000 0.291 4668 I C -0.178 175.922 176.117 -0.028 0.000 1.018 4668 I CA -0.722 60.618 61.300 0.066 0.000 1.260 4668 I CB 0.693 38.758 38.000 0.108 0.000 1.390 4668 I HN -0.035 nan 8.210 nan 0.000 0.475 4669 F N 8.378 128.382 119.950 0.091 0.000 2.313 4669 F HA 0.345 4.872 4.527 -0.000 0.000 0.369 4669 F C -1.917 173.916 175.800 0.055 0.000 1.109 4669 F CA -2.386 55.677 58.000 0.105 0.000 1.132 4669 F CB 0.771 39.874 39.000 0.171 0.000 1.291 4669 F HN 0.264 nan 8.300 nan 0.000 0.496 4670 P HA 0.108 nan 4.420 nan 0.000 0.271 4670 P C -0.723 176.624 177.300 0.079 0.000 1.220 4670 P CA 0.050 63.166 63.100 0.026 0.000 0.768 4670 P CB 1.589 33.201 31.700 -0.147 0.000 0.848 4671 V N 4.986 124.948 119.914 0.080 0.000 2.443 4671 V HA 0.143 4.263 4.120 0.000 0.000 0.293 4671 V C 0.278 176.404 176.094 0.053 0.000 1.021 4671 V CA -0.857 61.494 62.300 0.085 0.000 0.848 4671 V CB 2.182 34.063 31.823 0.096 0.000 0.998 4671 V HN 0.250 nan 8.190 nan 0.000 0.424 4672 V N 4.485 124.433 119.914 0.055 0.000 2.455 4672 V HA 0.150 4.270 4.120 0.000 0.000 0.273 4672 V C 0.418 176.492 176.094 -0.032 0.000 1.045 4672 V CA -0.150 62.128 62.300 -0.036 0.000 0.976 4672 V CB 1.218 32.962 31.823 -0.133 0.000 0.993 4672 V HN 1.030 nan 8.190 nan 0.000 0.475 4673 C N 6.796 126.079 119.300 -0.029 0.000 2.239 4673 C HA 0.395 4.854 4.460 0.000 0.000 0.325 4673 C C 1.334 176.332 174.990 0.013 0.000 1.231 4673 C CA -0.649 58.368 59.018 -0.002 0.000 1.652 4673 C CB -0.347 27.399 27.740 0.009 0.000 2.284 4673 C HN 1.024 nan 8.230 nan 0.000 0.499 4674 K N 2.289 122.693 120.400 0.007 0.000 2.379 4674 K HA 0.083 4.403 4.320 0.000 0.000 0.194 4674 K C 0.271 176.888 176.600 0.029 0.000 1.031 4674 K CA 0.285 56.590 56.287 0.030 0.000 1.037 4674 K CB 0.182 32.687 32.500 0.007 0.000 0.824 4674 K HN 0.784 nan 8.250 nan 0.000 0.516 4675 D N 1.758 122.168 120.400 0.018 0.000 2.363 4675 D HA 0.043 4.683 4.640 0.000 0.000 0.240 4675 D C -2.290 174.023 176.300 0.023 0.000 1.236 4675 D CA -0.918 53.091 54.000 0.014 0.000 0.927 4675 D CB 0.227 41.030 40.800 0.004 0.000 1.150 4675 D HN -0.005 nan 8.370 nan 0.000 0.458 4676 P HA 0.200 nan 4.420 nan 0.000 0.285 4676 P C -0.922 176.392 177.300 0.025 0.000 1.280 4676 P CA -0.749 62.367 63.100 0.025 0.000 0.862 4676 P CB 0.807 32.519 31.700 0.020 0.000 1.153 4677 V N 2.154 122.090 119.914 0.036 0.000 2.493 4677 V HA -0.015 4.105 4.120 0.000 0.000 0.292 4677 V C 1.026 177.144 176.094 0.039 0.000 1.016 4677 V CA -0.006 62.321 62.300 0.045 0.000 1.097 4677 V CB -0.916 30.950 31.823 0.070 0.000 0.947 4677 V HN 0.439 nan 8.190 nan 0.000 0.479 4678 Q N 3.785 123.603 119.800 0.029 0.000 2.392 4678 Q HA 0.045 4.385 4.340 0.000 0.000 0.262 4678 Q C 1.398 177.425 176.000 0.045 0.000 1.003 4678 Q CA 0.052 55.868 55.803 0.022 0.000 0.888 4678 Q CB 0.731 29.467 28.738 -0.004 0.000 1.260 4678 Q HN 0.952 nan 8.270 nan 0.000 0.435 4679 E N 0.224 120.444 120.200 0.033 0.000 2.338 4679 E HA 0.071 4.421 4.350 0.000 0.000 0.197 4679 E C -0.099 176.532 176.600 0.053 0.000 1.007 4679 E CA 0.706 57.129 56.400 0.039 0.000 0.849 4679 E CB 0.220 29.934 29.700 0.023 0.000 0.774 4679 E HN 0.430 nan 8.360 nan 0.000 0.506 4680 A N 1.705 124.553 122.820 0.048 0.000 2.256 4680 A HA 0.125 4.445 4.320 0.000 0.000 0.317 4680 A C 0.250 177.888 177.584 0.090 0.000 1.318 4680 A CA -0.784 51.288 52.037 0.058 0.000 0.894 4680 A CB -0.180 18.830 19.000 0.017 0.000 1.165 4680 A HN 0.530 nan 8.150 nan 0.000 0.525 4681 W N 3.259 124.514 121.300 -0.074 0.000 2.290 4681 W HA -0.394 4.266 4.660 0.000 0.000 0.323 4681 W C 1.670 178.135 176.519 -0.090 0.000 1.260 4681 W CA 2.663 59.956 57.345 -0.086 0.000 1.266 4681 W CB -0.175 29.211 29.460 -0.124 0.000 1.149 4681 W HN 0.773 nan 8.180 nan 0.000 0.482 4682 A N 0.742 123.498 122.820 -0.107 0.000 1.873 4682 A HA -0.300 4.020 4.320 0.000 0.000 0.218 4682 A C 1.802 179.255 177.584 -0.218 0.000 1.193 4682 A CA 2.304 54.208 52.037 -0.222 0.000 0.629 4682 A CB -1.245 17.689 19.000 -0.110 0.000 0.826 4682 A HN 0.553 nan 8.150 nan 0.000 0.447 4683 E N -0.743 119.382 120.200 -0.124 0.000 2.058 4683 E HA -0.260 4.090 4.350 0.000 0.000 0.194 4683 E C 1.824 178.344 176.600 -0.133 0.000 0.997 4683 E CA 1.313 57.653 56.400 -0.099 0.000 0.801 4683 E CB -0.303 29.368 29.700 -0.049 0.000 0.746 4683 E HN 0.667 nan 8.360 nan 0.000 0.450 4684 D N 0.368 120.674 120.400 -0.156 0.000 2.104 4684 D HA -0.143 4.497 4.640 0.000 0.000 0.194 4684 D C 1.951 178.084 176.300 -0.278 0.000 0.994 4684 D CA 0.899 54.793 54.000 -0.176 0.000 0.830 4684 D CB 0.063 40.780 40.800 -0.138 0.000 0.959 4684 D HN -0.045 nan 8.370 nan 0.000 0.452 4685 V N 0.858 120.494 119.914 -0.463 0.000 2.270 4685 V HA -0.181 3.939 4.120 0.000 0.000 0.245 4685 V C 1.857 177.799 176.094 -0.255 0.000 1.043 4685 V CA 1.965 63.986 62.300 -0.464 0.000 1.014 4685 V CB -0.513 30.917 31.823 -0.655 0.000 0.645 4685 V HN 0.232 nan 8.190 nan 0.000 0.447 4686 D N -0.109 120.163 120.400 -0.214 0.000 2.263 4686 D HA -0.141 4.499 4.640 0.000 0.000 0.208 4686 D C 1.918 178.161 176.300 -0.095 0.000 0.971 4686 D CA 1.092 55.013 54.000 -0.131 0.000 0.867 4686 D CB 0.076 40.812 40.800 -0.106 0.000 0.929 4686 D HN 0.389 nan 8.370 nan 0.000 0.492 4687 L N 0.773 121.934 121.223 -0.102 0.000 2.127 4687 L HA 0.003 4.343 4.340 0.000 0.000 0.203 4687 L C 2.235 179.071 176.870 -0.056 0.000 1.080 4687 L CA 1.223 56.023 54.840 -0.067 0.000 0.768 4687 L CB -0.102 41.920 42.059 -0.061 0.000 0.924 4687 L HN -0.255 nan 8.230 nan 0.000 0.444 4688 R N -0.815 119.636 120.500 -0.080 0.000 2.073 4688 R HA -0.106 4.234 4.340 0.000 0.000 0.234 4688 R C 2.160 178.437 176.300 -0.039 0.000 1.134 4688 R CA 1.602 57.667 56.100 -0.057 0.000 0.952 4688 R CB -0.783 29.470 30.300 -0.078 0.000 0.850 4688 R HN 0.282 nan 8.270 nan 0.000 0.433 4689 V N 1.737 121.615 119.914 -0.060 0.000 2.282 4689 V HA -0.302 3.818 4.120 0.000 0.000 0.249 4689 V C 1.793 177.881 176.094 -0.010 0.000 1.057 4689 V CA 2.128 64.406 62.300 -0.037 0.000 1.032 4689 V CB -0.663 31.124 31.823 -0.059 0.000 0.645 4689 V HN 0.376 nan 8.190 nan 0.000 0.447 4690 N N -0.506 118.182 118.700 -0.020 0.000 2.289 4690 N HA -0.158 4.582 4.740 0.000 0.000 0.184 4690 N C 1.501 177.023 175.510 0.020 0.000 1.016 4690 N CA 0.932 53.981 53.050 -0.002 0.000 0.872 4690 N CB -0.181 38.297 38.487 -0.014 0.000 0.973 4690 N HN 0.405 nan 8.380 nan 0.000 0.433 4691 L N 0.593 121.826 121.223 0.017 0.000 1.976 4691 L HA -0.016 4.324 4.340 0.000 0.000 0.209 4691 L C 2.058 178.964 176.870 0.059 0.000 1.071 4691 L CA 1.948 56.806 54.840 0.030 0.000 0.746 4691 L CB -1.202 40.870 42.059 0.022 0.000 0.890 4691 L HN 0.155 nan 8.230 nan 0.000 0.432 4692 A N -0.927 121.938 122.820 0.075 0.000 1.958 4692 A HA -0.323 3.997 4.320 0.000 0.000 0.221 4692 A C 2.323 180.032 177.584 0.208 0.000 1.178 4692 A CA 2.521 54.636 52.037 0.130 0.000 0.642 4692 A CB -0.724 18.348 19.000 0.119 0.000 0.816 4692 A HN 0.568 nan 8.150 nan 0.000 0.453 4693 M N 0.003 119.700 119.600 0.161 0.000 2.067 4693 M HA -0.165 4.315 4.480 0.000 0.000 0.260 4693 M C 1.726 178.171 176.300 0.243 0.000 1.069 4693 M CA 2.194 57.629 55.300 0.225 0.000 1.117 4693 M CB -0.642 32.011 32.600 0.089 0.000 1.334 4693 M HN 0.594 nan 8.290 nan 0.000 0.407 4694 N N -1.189 117.579 118.700 0.114 0.000 2.223 4694 N HA -0.143 4.597 4.740 0.000 0.000 0.185 4694 N C 1.481 176.988 175.510 -0.005 0.000 1.016 4694 N CA 1.233 54.315 53.050 0.053 0.000 0.863 4694 N CB -0.062 38.442 38.487 0.028 0.000 0.983 4694 N HN 0.158 nan 8.380 nan 0.000 0.429 4695 V N 0.485 120.401 119.914 0.003 0.000 2.270 4695 V HA -0.131 3.989 4.120 0.000 0.000 0.245 4695 V C 2.418 178.349 176.094 -0.271 0.000 1.043 4695 V CA 2.103 64.354 62.300 -0.083 0.000 1.014 4695 V CB -1.106 30.715 31.823 -0.003 0.000 0.645 4695 V HN 0.416 nan 8.190 nan 0.000 0.447 4696 G N -0.817 107.838 108.800 -0.242 0.000 2.422 4696 G HA2 -0.225 3.735 3.960 0.000 0.000 0.218 4696 G HA3 -0.225 3.735 3.960 0.000 0.000 0.218 4696 G C 1.676 175.977 174.900 -0.998 0.000 1.140 4696 G CA 0.768 45.386 45.100 -0.803 0.000 0.775 4696 G HN 0.445 nan 8.290 nan 0.000 0.545 4697 K N 0.330 120.458 120.400 -0.453 0.000 2.002 4697 K HA 0.072 4.392 4.320 0.000 0.000 0.209 4697 K C 2.951 179.395 176.600 -0.260 0.000 1.048 4697 K CA 1.080 57.244 56.287 -0.204 0.000 0.930 4697 K CB -0.242 32.271 32.500 0.021 0.000 0.714 4697 K HN 0.220 nan 8.250 nan 0.000 0.438 4698 A N 1.251 123.920 122.820 -0.251 0.000 1.940 4698 A HA -0.178 4.142 4.320 0.000 0.000 0.219 4698 A C 1.757 179.130 177.584 -0.353 0.000 1.176 4698 A CA 1.476 53.371 52.037 -0.237 0.000 0.631 4698 A CB -0.375 18.519 19.000 -0.176 0.000 0.814 4698 A HN 0.257 nan 8.150 nan 0.000 0.446 4699 R N -1.242 118.884 120.500 -0.625 0.000 2.320 4699 R HA 0.246 4.586 4.340 0.000 0.000 0.211 4699 R C 1.084 176.915 176.300 -0.781 0.000 0.931 4699 R CA 0.437 56.019 56.100 -0.862 0.000 1.071 4699 R CB -0.143 29.263 30.300 -1.489 0.000 1.025 4699 R HN 0.657 nan 8.270 nan 0.000 0.495 4700 G N 0.912 109.404 108.800 -0.514 0.000 2.198 4700 G HA2 -0.263 3.697 3.960 0.000 0.000 0.260 4700 G HA3 -0.263 3.697 3.960 0.000 0.000 0.260 4700 G C 0.410 175.252 174.900 -0.096 0.000 1.025 4700 G CA -0.061 44.890 45.100 -0.248 0.000 0.769 4700 G HN 0.281 nan 8.290 nan 0.000 0.507 4701 F N -0.433 119.239 119.950 -0.463 0.000 2.367 4701 F HA 0.365 4.892 4.527 0.000 0.000 0.298 4701 F C 1.374 176.932 175.800 -0.403 0.000 1.094 4701 F CA 0.612 58.295 58.000 -0.528 0.000 1.409 4701 F CB -0.554 37.959 39.000 -0.810 0.000 1.064 4701 F HN 0.448 nan 8.300 nan 0.000 0.528 4702 F N -2.073 117.969 119.950 0.154 0.000 2.900 4702 F HA 0.518 5.045 4.527 0.000 0.000 0.321 4702 F C -0.935 174.888 175.800 0.038 0.000 1.160 4702 F CA -2.440 55.608 58.000 0.080 0.000 0.890 4702 F CB 0.595 39.637 39.000 0.070 0.000 1.334 4702 F HN -0.267 nan 8.300 nan 0.000 0.459 4703 K N -0.005 120.612 120.400 0.362 0.000 2.197 4703 K HA 0.564 4.884 4.320 0.000 0.000 0.247 4703 K C -1.268 175.428 176.600 0.160 0.000 1.077 4703 K CA -1.378 55.038 56.287 0.216 0.000 0.882 4703 K CB 1.623 34.189 32.500 0.111 0.000 1.396 4703 K HN 0.515 nan 8.250 nan 0.000 0.482 4704 K N 0.169 120.624 120.400 0.091 0.000 2.436 4704 K HA 0.073 4.393 4.320 0.000 0.000 0.275 4704 K C 0.693 177.308 176.600 0.026 0.000 0.999 4704 K CA 1.609 57.922 56.287 0.044 0.000 0.980 4704 K CB 0.528 33.046 32.500 0.031 0.000 0.919 4704 K HN 0.915 nan 8.250 nan 0.000 0.484 4705 G N 2.858 111.657 108.800 -0.002 0.000 2.358 4705 G HA2 -0.238 3.723 3.960 0.000 0.000 0.224 4705 G HA3 -0.238 3.723 3.960 0.000 0.000 0.224 4705 G C -0.058 174.829 174.900 -0.021 0.000 1.073 4705 G CA 0.015 45.110 45.100 -0.008 0.000 0.635 4705 G HN 0.676 nan 8.290 nan 0.000 0.509 4706 D N 0.814 121.207 120.400 -0.011 0.000 2.429 4706 D HA 0.379 5.019 4.640 0.000 0.000 0.233 4706 D C 0.967 177.211 176.300 -0.094 0.000 1.202 4706 D CA 1.064 55.051 54.000 -0.021 0.000 0.879 4706 D CB 1.061 41.890 40.800 0.049 0.000 1.212 4706 D HN 1.162 nan 8.370 nan 0.000 0.465 4707 V N -1.299 118.565 119.914 -0.085 0.000 2.555 4707 V HA 0.737 4.857 4.120 0.000 0.000 0.302 4707 V C 0.053 176.063 176.094 -0.140 0.000 1.038 4707 V CA -1.008 61.227 62.300 -0.108 0.000 0.887 4707 V CB 1.466 33.252 31.823 -0.061 0.000 0.991 4707 V HN 0.391 nan 8.190 nan 0.000 0.434 4708 V N 2.059 121.866 119.914 -0.177 0.000 3.001 4708 V HA 0.699 4.819 4.120 0.000 0.000 0.314 4708 V C -0.437 175.596 176.094 -0.101 0.000 1.099 4708 V CA -0.944 61.256 62.300 -0.166 0.000 0.989 4708 V CB 2.090 33.744 31.823 -0.281 0.000 1.040 4708 V HN 0.855 nan 8.190 nan 0.000 0.434 4709 I N 2.879 123.409 120.570 -0.068 0.000 2.315 4709 I HA 0.445 4.615 4.170 0.000 0.000 0.291 4709 I C -0.528 175.566 176.117 -0.038 0.000 1.006 4709 I CA -0.707 60.562 61.300 -0.052 0.000 1.265 4709 I CB 1.746 39.716 38.000 -0.050 0.000 1.387 4709 I HN 0.445 nan 8.210 nan 0.000 0.475 4710 V N 7.993 127.886 119.914 -0.035 0.000 2.398 4710 V HA 0.392 4.512 4.120 0.000 0.000 0.286 4710 V C -0.050 176.039 176.094 -0.009 0.000 1.026 4710 V CA -0.507 61.779 62.300 -0.023 0.000 0.868 4710 V CB 1.757 33.561 31.823 -0.033 0.000 0.982 4710 V HN 0.478 nan 8.190 nan 0.000 0.443 4711 L N 5.857 127.081 121.223 0.002 0.000 2.319 4711 L HA 0.726 5.066 4.340 0.000 0.000 0.281 4711 L C 0.227 177.106 176.870 0.015 0.000 1.005 4711 L CA 0.040 54.887 54.840 0.011 0.000 0.828 4711 L CB 1.957 44.029 42.059 0.022 0.000 1.227 4711 L HN 0.904 nan 8.230 nan 0.000 0.415 4712 T N -0.549 114.021 114.554 0.026 0.000 2.804 4712 T HA 0.724 5.074 4.350 0.000 0.000 0.290 4712 T C -0.177 174.581 174.700 0.096 0.000 1.099 4712 T CA -0.767 61.361 62.100 0.046 0.000 1.011 4712 T CB 1.803 70.682 68.868 0.019 0.000 1.291 4712 T HN 0.487 nan 8.240 nan 0.000 0.523 4713 G N -0.502 108.421 108.800 0.204 0.000 2.335 4713 G HA2 0.395 4.355 3.960 0.000 0.000 0.316 4713 G HA3 0.395 4.355 3.960 0.000 0.000 0.316 4713 G C 0.438 175.646 174.900 0.514 0.000 1.129 4713 G CA -0.942 44.330 45.100 0.286 0.000 0.899 4713 G HN 0.847 nan 8.290 nan 0.000 0.448 4714 W N 3.146 124.520 121.300 0.124 0.000 2.305 4714 W HA -0.115 4.545 4.660 0.000 0.000 0.308 4714 W C 0.555 177.241 176.519 0.277 0.000 1.226 4714 W CA 0.870 58.306 57.345 0.151 0.000 1.253 4714 W CB 0.337 29.805 29.460 0.012 0.000 1.146 4714 W HN 0.463 nan 8.180 nan 0.000 0.507 4715 R N -1.690 118.841 120.500 0.050 0.000 2.795 4715 R HA 0.321 4.661 4.340 0.000 0.000 0.268 4715 R C -2.636 172.972 176.300 -1.153 0.000 1.041 4715 R CA -2.102 53.543 56.100 -0.758 0.000 0.927 4715 R CB 0.173 30.135 30.300 -0.563 0.000 1.235 4715 R HN -0.348 nan 8.270 nan 0.000 0.463 4716 P HA -0.039 nan 4.420 nan 0.000 0.268 4716 P C 0.399 177.370 177.300 -0.548 0.000 1.208 4716 P CA 0.696 62.954 63.100 -1.403 0.000 0.777 4716 P CB 0.211 31.343 31.700 -0.946 0.000 0.875 4717 G N 1.852 110.483 108.800 -0.281 0.000 2.395 4717 G HA2 -0.313 3.647 3.960 0.000 0.000 0.300 4717 G HA3 -0.313 3.647 3.960 0.000 0.000 0.300 4717 G C 1.149 176.013 174.900 -0.060 0.000 0.998 4717 G CA 0.554 45.589 45.100 -0.108 0.000 1.046 4717 G HN 0.467 nan 8.290 nan 0.000 0.513 4718 S N -1.110 114.571 115.700 -0.032 0.000 2.428 4718 S HA 0.293 4.763 4.470 0.000 0.000 0.230 4718 S C 2.426 177.113 174.600 0.144 0.000 1.014 4718 S CA 1.739 59.957 58.200 0.030 0.000 0.957 4718 S CB -0.143 63.079 63.200 0.037 0.000 0.784 4718 S HN 2.204 nan 8.310 nan 0.000 0.499 4719 G N 0.647 109.550 108.800 0.172 0.000 2.308 4719 G HA2 -0.223 3.737 3.960 0.000 0.000 0.221 4719 G HA3 -0.223 3.737 3.960 0.000 0.000 0.221 4719 G C 0.064 175.198 174.900 0.389 0.000 1.032 4719 G CA 0.255 45.510 45.100 0.259 0.000 0.623 4719 G HN 0.751 nan 8.290 nan 0.000 0.506 4720 F N -1.833 118.146 119.950 0.049 0.000 2.985 4720 F HA 0.765 5.292 4.527 -0.000 0.000 0.322 4720 F C -0.359 175.490 175.800 0.081 0.000 1.187 4720 F CA -0.942 57.087 58.000 0.048 0.000 0.910 4720 F CB 0.983 40.000 39.000 0.029 0.000 1.411 4720 F HN 0.236 nan 8.300 nan 0.000 0.492 4721 T N 1.964 116.549 114.554 0.052 0.000 2.863 4721 T HA 0.251 4.601 4.350 0.000 0.000 0.299 4721 T C 0.293 174.826 174.700 -0.279 0.000 0.973 4721 T CA -0.021 62.044 62.100 -0.059 0.000 0.994 4721 T CB -1.035 67.860 68.868 0.046 0.000 0.961 4721 T HN 0.732 nan 8.240 nan 0.000 0.552 4722 N N 2.440 120.862 118.700 -0.463 0.000 2.236 4722 N HA 0.092 4.832 4.740 0.000 0.000 0.196 4722 N C -0.212 175.153 175.510 -0.241 0.000 1.114 4722 N CA -0.385 52.328 53.050 -0.563 0.000 0.859 4722 N CB 0.482 38.489 38.487 -0.800 0.000 0.982 4722 N HN 0.341 nan 8.380 nan 0.000 0.493 4723 T N 1.520 116.012 114.554 -0.104 0.000 2.791 4723 T HA 0.333 4.683 4.350 0.000 0.000 0.288 4723 T C -0.827 173.863 174.700 -0.017 0.000 0.999 4723 T CA -0.582 61.497 62.100 -0.035 0.000 0.952 4723 T CB 1.381 70.333 68.868 0.140 0.000 0.938 4723 T HN 0.046 nan 8.240 nan 0.000 0.444 4724 M N 3.985 123.562 119.600 -0.038 0.000 2.311 4724 M HA 0.547 5.027 4.480 0.000 0.000 0.325 4724 M C -1.076 175.210 176.300 -0.024 0.000 1.061 4724 M CA -0.473 54.812 55.300 -0.026 0.000 0.957 4724 M CB 1.383 33.964 32.600 -0.031 0.000 1.646 4724 M HN 0.601 nan 8.290 nan 0.000 0.434 4725 R N 2.290 122.779 120.500 -0.019 0.000 2.795 4725 R HA 0.715 5.054 4.340 0.000 0.000 0.275 4725 R C -1.364 174.917 176.300 -0.033 0.000 0.981 4725 R CA -0.877 55.211 56.100 -0.021 0.000 0.917 4725 R CB 2.695 32.989 30.300 -0.009 0.000 1.202 4725 R HN 0.501 nan 8.270 nan 0.000 0.469 4726 V N 3.386 123.280 119.914 -0.034 0.000 2.333 4726 V HA 0.378 4.498 4.120 0.000 0.000 0.274 4726 V C -0.427 175.640 176.094 -0.045 0.000 1.028 4726 V CA -0.463 61.812 62.300 -0.042 0.000 0.851 4726 V CB 1.445 33.245 31.823 -0.038 0.000 1.000 4726 V HN 0.422 nan 8.190 nan 0.000 0.456 4727 V N 7.606 127.483 119.914 -0.062 0.000 2.823 4727 V HA 0.594 4.714 4.120 0.000 0.000 0.312 4727 V C -2.573 173.462 176.094 -0.098 0.000 1.072 4727 V CA -2.021 60.236 62.300 -0.072 0.000 0.937 4727 V CB 2.786 34.563 31.823 -0.077 0.000 1.013 4727 V HN 0.659 nan 8.190 nan 0.000 0.430 4728 P HA 0.385 nan 4.420 nan 0.000 0.296 4728 P C -0.812 176.415 177.300 -0.120 0.000 1.301 4728 P CA -0.556 62.487 63.100 -0.095 0.000 0.862 4728 P CB 1.405 33.070 31.700 -0.058 0.000 1.046 4729 V N 5.393 125.215 119.914 -0.153 0.000 2.479 4729 V HA 0.145 4.265 4.120 0.000 0.000 0.281 4729 V C -1.573 174.486 176.094 -0.058 0.000 1.031 4729 V CA -0.933 61.274 62.300 -0.155 0.000 1.038 4729 V CB -0.029 31.651 31.823 -0.239 0.000 0.981 4729 V HN 0.592 nan 8.190 nan 0.000 0.478 4730 P HA 0.000 nan 4.420 nan 0.000 0.216 4730 P CA 0.000 63.091 63.100 -0.015 0.000 0.800 4730 P CB 0.000 31.689 31.700 -0.018 0.000 0.726