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 1h7x_1_C DATA FIRST_RESID 2 DATA SEQUENCE APVLSKDVAD IESILALNPR TQSHAALHST LAKKLDKKHW KRNPDKNCFH DATA SEQUENCE CEKLENNFDD IKHTTLGERG ALREAMRCLK CADAPCQKSC PTHLDIKSFI DATA SEQUENCE TSISNKNYYG AAKMIFSDNP LGLTCGMVCP TSDLCVGGCN LYATEEGSIN DATA SEQUENCE IGGLQQFASE VFKAMNIPQI RNPCLPSQEK MPEAYSAKIA LLGAGPASIS DATA SEQUENCE CASFLARLGY SDITIFEKQE YVGGLSTSEI PQFRLPYDVV NFEIELMKDL DATA SEQUENCE GVKIICGKSL SENEITLNTL KEEGYKAAFI GIGLPEPKTD DIFQGLTQDQ DATA SEQUENCE GFYTSKDFLP LVAKSSKAGM CACHSPLPSI RGAVIVLGAG DTAFDCATSA DATA SEQUENCE LRCGARRVFL VFRKGFVNIR AVPEEVELAK EEKCEFLPFL SPRKVIVKGG DATA SEQUENCE RIVAVQFVRT EQDETGKWNE DEDQIVHLKA DVVISAFGSV LRDPKVKEAL DATA SEQUENCE SPIKFNRWDL PEVDPETMQT SEPWVFAGGD IVGMANTTVE SVNDGKQASW DATA SEQUENCE YIHKYIQAQY GASVSAKPEL PLFYTPVDLV DISVEMAGLK FINPFGLASA DATA SEQUENCE APTTSSSMIR RAFEAGWGFA LTKTFSLDKD IVTNVSPRIV RGTTSGPMYG DATA SEQUENCE PGQSSFLNIE LISEKTAAYW CQSVTELKAD FPDNIVIASI MCSYNKNDWM DATA SEQUENCE ELSRKAEASG ADALELNLSA PHGMGERGMG LACGQDPELV RNICRWVRQA DATA SEQUENCE VQIPFFAKLT PNVTDIVSIA RAAKEGGADG VTATNTVSGL MGLKADGTPW DATA SEQUENCE PAVGAGKRTT YGGVSGTAIR PIALRAVTTI ARALPGFPIL ATGGIDSAES DATA SEQUENCE GLQFLHSGAS VLQVCSAVQN QDFTVIQDYC TGLKALLYLK SIEELQGWDG DATA SEQUENCE QSPGTESHQK GKPVPRIAEL MGKKLPNFGP YLEQRKKIIA EEKMRLKEQN DATA SEQUENCE AAFPPLERKP FIPKKPIPAI KDVIGKALQY LGTFGELSNI EQVVAVIDEE DATA SEQUENCE MCINCGKCYM TCNDSGYQAI QFDPETHLPT VTDTCTGCTL CLSVCPIIDC DATA SEQUENCE IRMVSRTTPY EPKRGLPLA 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.585 177.584 0.002 0.000 1.274 2 A CA 0.000 52.038 52.037 0.001 0.000 0.836 2 A CB 0.000 19.001 19.000 0.001 0.000 0.831 3 P HA 0.313 nan 4.420 nan 0.000 0.273 3 P C -0.477 176.824 177.300 0.002 0.000 1.248 3 P CA -0.470 62.632 63.100 0.003 0.000 0.817 3 P CB 0.166 31.869 31.700 0.005 0.000 0.995 4 V N 1.829 121.744 119.914 0.002 0.000 2.381 4 V HA -0.021 4.099 4.120 -0.000 0.000 0.257 4 V C 1.702 177.797 176.094 0.001 0.000 1.057 4 V CA 0.280 62.581 62.300 0.001 0.000 1.013 4 V CB -0.468 31.356 31.823 0.001 0.000 1.069 4 V HN 0.488 nan 8.190 nan 0.000 0.484 5 L N 3.759 124.982 121.223 0.000 0.000 2.079 5 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 5 L C 2.275 179.144 176.870 -0.003 0.000 1.081 5 L CA 1.749 56.589 54.840 -0.000 0.000 0.752 5 L CB -0.350 41.709 42.059 -0.001 0.000 0.896 5 L HN 0.840 nan 8.230 nan 0.000 0.433 6 S N -1.506 114.190 115.700 -0.005 0.000 2.754 6 S HA 0.121 4.591 4.470 -0.000 0.000 0.223 6 S C 0.415 175.010 174.600 -0.009 0.000 0.951 6 S CA -0.228 57.967 58.200 -0.009 0.000 0.954 6 S CB -0.231 62.962 63.200 -0.011 0.000 0.780 6 S HN 0.248 nan 8.310 nan 0.000 0.509 7 K N 1.304 121.702 120.400 -0.004 0.000 2.316 7 K HA 0.348 4.668 4.320 -0.000 0.000 0.251 7 K C -1.320 175.280 176.600 0.001 0.000 0.934 7 K CA -0.753 55.533 56.287 -0.002 0.000 0.802 7 K CB 1.178 33.678 32.500 0.001 0.000 1.171 7 K HN 0.170 nan 8.250 nan 0.000 0.426 8 D N 2.483 122.884 120.400 0.001 0.000 2.351 8 D HA 0.049 4.689 4.640 -0.000 0.000 0.251 8 D C 0.461 176.768 176.300 0.013 0.000 1.137 8 D CA -0.093 53.911 54.000 0.007 0.000 0.879 8 D CB 1.223 42.027 40.800 0.007 0.000 1.181 8 D HN 0.244 nan 8.370 nan 0.000 0.448 9 V N -0.003 119.921 119.914 0.017 0.000 3.319 9 V HA 0.321 4.441 4.120 -0.000 0.000 0.303 9 V C 1.587 177.695 176.094 0.023 0.000 1.094 9 V CA -0.078 62.233 62.300 0.019 0.000 1.106 9 V CB 0.578 32.413 31.823 0.020 0.000 1.099 9 V HN 0.615 nan 8.190 nan 0.000 0.476 10 A N 0.411 123.245 122.820 0.023 0.000 1.903 10 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 10 A C 1.652 179.257 177.584 0.034 0.000 1.191 10 A CA 2.429 54.483 52.037 0.027 0.000 0.638 10 A CB -1.148 17.866 19.000 0.024 0.000 0.823 10 A HN 1.029 nan 8.150 nan 0.000 0.451 11 D N -0.261 120.161 120.400 0.035 0.000 2.149 11 D HA -0.125 4.515 4.640 -0.000 0.000 0.198 11 D C 1.739 178.071 176.300 0.053 0.000 0.990 11 D CA 1.024 55.050 54.000 0.043 0.000 0.839 11 D CB -0.210 40.614 40.800 0.041 0.000 0.948 11 D HN 0.387 nan 8.370 nan 0.000 0.460 12 I N 0.552 121.150 120.570 0.047 0.000 2.406 12 I HA -0.108 4.062 4.170 -0.000 0.000 0.249 12 I C 2.296 178.443 176.117 0.051 0.000 1.122 12 I CA 0.716 62.046 61.300 0.050 0.000 1.431 12 I CB -0.994 37.028 38.000 0.036 0.000 1.087 12 I HN 0.096 nan 8.210 nan 0.000 0.424 13 E N 0.646 120.872 120.200 0.043 0.000 2.118 13 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 13 E C 2.382 179.019 176.600 0.062 0.000 0.992 13 E CA 1.645 58.071 56.400 0.043 0.000 0.804 13 E CB 0.099 29.820 29.700 0.034 0.000 0.741 13 E HN 0.294 nan 8.360 nan 0.000 0.458 14 S N -0.060 115.680 115.700 0.066 0.000 2.371 14 S HA -0.091 4.379 4.470 -0.000 0.000 0.224 14 S C 1.992 176.659 174.600 0.112 0.000 1.029 14 S CA 0.860 59.108 58.200 0.079 0.000 0.978 14 S CB -0.246 62.993 63.200 0.065 0.000 0.833 14 S HN 0.454 nan 8.310 nan 0.000 0.466 15 I N 0.863 121.505 120.570 0.120 0.000 2.493 15 I HA -0.028 4.142 4.170 -0.000 0.000 0.254 15 I C 1.228 177.504 176.117 0.265 0.000 1.160 15 I CA 1.006 62.414 61.300 0.180 0.000 1.445 15 I CB 0.048 38.144 38.000 0.159 0.000 1.086 15 I HN 0.325 nan 8.210 nan 0.000 0.433 16 L N 0.190 121.514 121.223 0.168 0.000 2.612 16 L HA 0.104 4.443 4.340 -0.000 0.000 0.230 16 L C 2.459 179.438 176.870 0.182 0.000 1.140 16 L CA 0.263 55.183 54.840 0.133 0.000 0.896 16 L CB -0.507 41.569 42.059 0.028 0.000 1.065 16 L HN 0.202 nan 8.230 nan 0.000 0.447 17 A N 0.520 123.460 122.820 0.200 0.000 1.903 17 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 17 A C 1.843 179.548 177.584 0.201 0.000 1.191 17 A CA 1.809 53.947 52.037 0.167 0.000 0.638 17 A CB -0.386 18.700 19.000 0.142 0.000 0.823 17 A HN 0.350 nan 8.150 nan 0.000 0.451 18 L N -0.230 121.183 121.223 0.317 0.000 2.611 18 L HA 0.215 4.555 4.340 -0.000 0.000 0.229 18 L C 0.571 177.670 176.870 0.383 0.000 1.137 18 L CA -0.117 54.922 54.840 0.332 0.000 0.901 18 L CB -1.127 41.136 42.059 0.341 0.000 1.098 18 L HN 0.345 nan 8.230 nan 0.000 0.456 19 N N 0.776 119.641 118.700 0.274 0.000 2.492 19 N HA 0.095 4.835 4.740 -0.000 0.000 0.262 19 N C -2.394 173.129 175.510 0.023 0.000 1.202 19 N CA -1.263 51.804 53.050 0.028 0.000 0.926 19 N CB 0.609 39.012 38.487 -0.140 0.000 1.078 19 N HN -0.107 nan 8.380 nan 0.000 0.454 20 P HA 0.097 nan 4.420 nan 0.000 0.264 20 P C -0.890 176.398 177.300 -0.020 0.000 1.193 20 P CA 0.606 63.696 63.100 -0.017 0.000 0.763 20 P CB 0.456 32.130 31.700 -0.043 0.000 0.810 21 R N 0.934 121.432 120.500 -0.003 0.000 2.584 21 R HA 0.357 4.697 4.340 -0.000 0.000 0.276 21 R C -0.381 175.919 176.300 0.001 0.000 1.046 21 R CA -0.730 55.368 56.100 -0.003 0.000 0.906 21 R CB 1.706 32.012 30.300 0.009 0.000 1.215 21 R HN 0.397 nan 8.270 nan 0.000 0.449 22 T N 0.491 115.042 114.554 -0.006 0.000 2.870 22 T HA 0.135 4.485 4.350 -0.000 0.000 0.300 22 T C 0.225 174.927 174.700 0.004 0.000 0.989 22 T CA -0.784 61.313 62.100 -0.006 0.000 1.139 22 T CB 1.013 69.872 68.868 -0.016 0.000 0.920 22 T HN 0.200 nan 8.240 nan 0.000 0.537 23 Q N 2.190 121.996 119.800 0.010 0.000 2.259 23 Q HA 0.307 4.647 4.340 -0.000 0.000 0.249 23 Q C 1.086 177.082 176.000 -0.006 0.000 0.914 23 Q CA -0.315 55.504 55.803 0.027 0.000 0.904 23 Q CB 1.677 30.441 28.738 0.044 0.000 1.213 23 Q HN 0.975 nan 8.270 nan 0.000 0.428 24 S N 0.722 116.418 115.700 -0.008 0.000 2.556 24 S HA 0.121 4.591 4.470 -0.000 0.000 0.216 24 S C -0.004 174.327 174.600 -0.447 0.000 0.970 24 S CA 0.090 58.179 58.200 -0.185 0.000 0.912 24 S CB 0.092 63.178 63.200 -0.191 0.000 0.790 24 S HN 0.624 nan 8.310 nan 0.000 0.504 25 H N 0.168 119.235 119.070 -0.005 0.000 2.985 25 H HA 0.742 5.298 4.556 -0.000 0.000 0.360 25 H C -0.239 175.085 175.328 -0.007 0.000 1.221 25 H CA -0.423 55.621 56.048 -0.008 0.000 1.121 25 H CB 1.247 31.002 29.762 -0.012 0.000 1.854 25 H HN 0.267 nan 8.280 nan 0.000 0.551 26 A N 0.951 123.844 122.820 0.121 0.000 2.386 26 A HA 0.608 4.928 4.320 -0.000 0.000 0.248 26 A C 0.269 177.883 177.584 0.050 0.000 1.082 26 A CA 0.140 52.216 52.037 0.064 0.000 0.789 26 A CB -0.195 18.831 19.000 0.043 0.000 1.025 26 A HN 0.792 nan 8.150 nan 0.000 0.490 27 A N 0.562 123.404 122.820 0.037 0.000 2.322 27 A HA 0.590 4.910 4.320 -0.000 0.000 0.269 27 A C -0.497 177.032 177.584 -0.091 0.000 1.094 27 A CA -0.295 51.736 52.037 -0.011 0.000 0.807 27 A CB 0.360 19.422 19.000 0.102 0.000 1.047 27 A HN 1.310 nan 8.150 nan 0.000 0.487 28 L N 2.565 123.608 121.223 -0.299 0.000 2.343 28 L HA 0.543 4.883 4.340 -0.000 0.000 0.278 28 L C -1.219 175.327 176.870 -0.539 0.000 0.996 28 L CA 0.133 54.808 54.840 -0.276 0.000 0.831 28 L CB 0.951 42.900 42.059 -0.184 0.000 1.232 28 L HN 0.744 nan 8.230 nan 0.000 0.413 29 H N 2.482 121.560 119.070 0.013 0.000 3.017 29 H HA 0.328 4.883 4.556 -0.000 0.000 0.340 29 H C -0.501 174.836 175.328 0.015 0.000 1.014 29 H CA -0.587 55.471 56.048 0.016 0.000 1.341 29 H CB 1.934 31.708 29.762 0.021 0.000 1.739 29 H HN 0.633 nan 8.280 nan 0.000 0.506 30 S N 1.756 117.524 115.700 0.114 0.000 2.584 30 S HA 0.002 4.472 4.470 -0.000 0.000 0.270 30 S C 1.171 175.814 174.600 0.072 0.000 1.346 30 S CA 0.107 58.349 58.200 0.070 0.000 1.018 30 S CB 1.098 64.326 63.200 0.048 0.000 0.899 30 S HN 0.579 nan 8.310 nan 0.000 0.542 31 T N 1.792 116.376 114.554 0.050 0.000 2.759 31 T HA -0.107 4.243 4.350 -0.000 0.000 0.269 31 T C 1.615 176.338 174.700 0.038 0.000 1.042 31 T CA 1.507 63.632 62.100 0.043 0.000 1.140 31 T CB -0.531 68.356 68.868 0.032 0.000 0.864 31 T HN 0.553 nan 8.240 nan 0.000 0.455 32 L N 1.411 122.654 121.223 0.035 0.000 2.027 32 L HA 0.108 4.448 4.340 -0.000 0.000 0.206 32 L C 2.606 179.495 176.870 0.033 0.000 1.074 32 L CA 1.907 56.764 54.840 0.028 0.000 0.745 32 L CB -1.088 40.985 42.059 0.023 0.000 0.898 32 L HN 0.206 nan 8.230 nan 0.000 0.433 33 A N -0.651 122.196 122.820 0.045 0.000 1.908 33 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 33 A C 2.297 179.908 177.584 0.046 0.000 1.181 33 A CA 1.776 53.844 52.037 0.052 0.000 0.627 33 A CB -0.535 18.515 19.000 0.085 0.000 0.818 33 A HN 0.390 nan 8.150 nan 0.000 0.445 34 K N 0.081 120.511 120.400 0.049 0.000 2.057 34 K HA -0.103 4.217 4.320 -0.000 0.000 0.207 34 K C 1.932 178.558 176.600 0.042 0.000 1.049 34 K CA 1.635 57.945 56.287 0.039 0.000 0.931 34 K CB -0.373 32.151 32.500 0.039 0.000 0.714 34 K HN 0.552 nan 8.250 nan 0.000 0.440 35 K N 0.658 121.080 120.400 0.035 0.000 2.103 35 K HA -0.068 4.252 4.320 -0.000 0.000 0.207 35 K C 2.186 178.801 176.600 0.026 0.000 1.048 35 K CA 0.988 57.292 56.287 0.029 0.000 0.930 35 K CB -0.130 32.383 32.500 0.021 0.000 0.716 35 K HN 0.059 nan 8.250 nan 0.000 0.444 36 L N 0.267 121.504 121.223 0.023 0.000 2.217 36 L HA -0.131 4.209 4.340 -0.000 0.000 0.211 36 L C 1.879 178.759 176.870 0.017 0.000 1.107 36 L CA 0.845 55.691 54.840 0.011 0.000 0.783 36 L CB -0.148 41.914 42.059 0.005 0.000 0.919 36 L HN 0.147 nan 8.230 nan 0.000 0.442 37 D N -0.099 120.330 120.400 0.049 0.000 2.271 37 D HA -0.130 4.510 4.640 -0.000 0.000 0.206 37 D C 2.142 178.545 176.300 0.172 0.000 0.967 37 D CA 0.538 54.597 54.000 0.098 0.000 0.867 37 D CB 0.286 41.166 40.800 0.134 0.000 0.960 37 D HN -0.009 nan 8.370 nan 0.000 0.509 38 K N 0.604 121.089 120.400 0.140 0.000 2.044 38 K HA -0.206 4.114 4.320 -0.000 0.000 0.210 38 K C 1.741 178.416 176.600 0.124 0.000 1.049 38 K CA 1.359 57.743 56.287 0.161 0.000 0.927 38 K CB 0.095 32.647 32.500 0.088 0.000 0.713 38 K HN 0.037 nan 8.250 nan 0.000 0.443 39 K N -0.908 119.519 120.400 0.045 0.000 2.209 39 K HA -0.208 4.112 4.320 -0.000 0.000 0.204 39 K C 2.043 178.605 176.600 -0.064 0.000 1.048 39 K CA 1.564 57.847 56.287 -0.007 0.000 0.940 39 K CB -0.286 32.193 32.500 -0.035 0.000 0.729 39 K HN 0.314 nan 8.250 nan 0.000 0.451 40 H N -0.640 118.279 119.070 -0.251 0.000 2.421 40 H HA -0.133 4.423 4.556 -0.000 0.000 0.298 40 H C 0.802 175.830 175.328 -0.500 0.000 1.087 40 H CA 1.698 57.435 56.048 -0.520 0.000 1.330 40 H CB 0.096 29.329 29.762 -0.882 0.000 1.388 40 H HN 0.291 nan 8.280 nan 0.000 0.526 41 W N 0.261 121.574 121.300 0.023 0.000 3.220 41 W HA 0.227 4.887 4.660 -0.000 0.000 0.328 41 W C 0.425 176.896 176.519 -0.080 0.000 1.205 41 W CA -0.735 56.515 57.345 -0.158 0.000 1.773 41 W CB 0.250 29.584 29.460 -0.211 0.000 1.086 41 W HN -0.153 nan 8.180 nan 0.000 0.622 42 K N 2.142 122.630 120.400 0.148 0.000 2.473 42 K HA -0.064 4.256 4.320 -0.000 0.000 0.277 42 K C 1.170 177.850 176.600 0.134 0.000 1.052 42 K CA 0.682 57.035 56.287 0.110 0.000 1.114 42 K CB 0.443 32.976 32.500 0.055 0.000 0.869 42 K HN -0.045 nan 8.250 nan 0.000 0.481 43 R N 2.058 122.622 120.500 0.105 0.000 2.121 43 R HA 0.052 4.392 4.340 -0.000 0.000 0.206 43 R C 0.489 176.825 176.300 0.061 0.000 1.094 43 R CA 0.408 56.572 56.100 0.108 0.000 1.055 43 R CB -0.526 29.826 30.300 0.086 0.000 0.964 43 R HN 0.818 nan 8.270 nan 0.000 0.473 44 N N 2.051 120.775 118.700 0.040 0.000 2.405 44 N HA 0.197 4.937 4.740 -0.000 0.000 0.269 44 N C -2.639 172.881 175.510 0.017 0.000 1.249 44 N CA -1.658 51.404 53.050 0.020 0.000 0.974 44 N CB -0.747 37.748 38.487 0.014 0.000 1.204 44 N HN -0.236 nan 8.380 nan 0.000 0.565 45 P HA 0.066 nan 4.420 nan 0.000 0.269 45 P C -0.742 176.565 177.300 0.011 0.000 1.209 45 P CA 0.165 63.273 63.100 0.013 0.000 0.776 45 P CB 0.285 31.998 31.700 0.022 0.000 0.876 46 D N 2.039 122.439 120.400 -0.001 0.000 2.313 46 D HA 0.021 4.661 4.640 -0.000 0.000 0.239 46 D C 1.087 177.380 176.300 -0.012 0.000 1.142 46 D CA -0.369 53.622 54.000 -0.015 0.000 0.847 46 D CB 0.899 41.673 40.800 -0.044 0.000 1.082 46 D HN 0.344 nan 8.370 nan 0.000 0.480 47 K N 2.877 123.283 120.400 0.009 0.000 2.360 47 K HA -0.090 4.230 4.320 -0.000 0.000 0.201 47 K C 0.446 177.073 176.600 0.046 0.000 1.046 47 K CA 0.901 57.217 56.287 0.048 0.000 0.945 47 K CB 0.138 32.673 32.500 0.057 0.000 0.750 47 K HN 0.155 nan 8.250 nan 0.000 0.464 48 N N 0.336 118.985 118.700 -0.085 0.000 2.336 48 N HA -0.002 4.738 4.740 -0.000 0.000 0.189 48 N C -0.542 174.528 175.510 -0.734 0.000 1.113 48 N CA 0.054 52.920 53.050 -0.308 0.000 0.858 48 N CB 0.328 38.701 38.487 -0.190 0.000 0.970 48 N HN 0.190 nan 8.380 nan 0.000 0.471 49 C N 1.278 120.329 119.300 -0.415 0.000 2.265 49 C HA 0.379 4.838 4.460 -0.000 0.000 0.332 49 C C 0.903 175.778 174.990 -0.192 0.000 1.248 49 C CA -0.570 58.249 59.018 -0.330 0.000 1.727 49 C CB -1.572 26.106 27.740 -0.104 0.000 2.348 49 C HN 0.231 nan 8.230 nan 0.000 0.519 50 F N 2.339 122.306 119.950 0.029 0.000 2.721 50 F HA 0.261 4.788 4.527 -0.000 0.000 0.301 50 F C 1.063 176.686 175.800 -0.295 0.000 1.096 50 F CA -0.180 57.736 58.000 -0.140 0.000 1.308 50 F CB -0.869 37.999 39.000 -0.219 0.000 1.086 50 F HN 0.585 nan 8.300 nan 0.000 0.587 51 H N -1.116 118.013 119.070 0.100 0.000 2.473 51 H HA 0.328 4.884 4.556 -0.000 0.000 0.327 51 H C -0.046 175.295 175.328 0.021 0.000 1.105 51 H CA -1.237 54.843 56.048 0.053 0.000 1.280 51 H CB 1.076 30.852 29.762 0.022 0.000 1.450 51 H HN 0.060 nan 8.280 nan 0.000 0.492 52 C N 3.840 123.185 119.300 0.076 0.000 2.604 52 C HA 0.177 4.637 4.460 -0.000 0.000 0.396 52 C C 0.568 175.573 174.990 0.025 0.000 1.282 52 C CA -0.522 58.517 59.018 0.034 0.000 2.292 52 C CB -0.696 27.043 27.740 -0.002 0.000 2.633 52 C HN 0.992 nan 8.230 nan 0.000 0.620 53 E N 4.271 124.471 120.200 -0.000 0.000 2.384 53 E HA 0.187 4.537 4.350 -0.000 0.000 0.266 53 E C -0.574 176.005 176.600 -0.034 0.000 1.012 53 E CA -0.325 56.065 56.400 -0.017 0.000 0.901 53 E CB 0.392 30.075 29.700 -0.028 0.000 0.967 53 E HN 0.416 nan 8.360 nan 0.000 0.435 54 K N 3.259 123.640 120.400 -0.031 0.000 2.484 54 K HA 0.039 4.359 4.320 -0.000 0.000 0.280 54 K C 0.267 176.827 176.600 -0.066 0.000 1.013 54 K CA 0.287 56.550 56.287 -0.040 0.000 1.029 54 K CB 0.487 32.969 32.500 -0.030 0.000 0.902 54 K HN 0.657 nan 8.250 nan 0.000 0.481 55 L N 1.184 122.353 121.223 -0.091 0.000 3.086 55 L HA 0.140 4.480 4.340 -0.000 0.000 0.274 55 L C 0.619 177.388 176.870 -0.168 0.000 1.184 55 L CA -0.169 54.581 54.840 -0.151 0.000 1.002 55 L CB 0.394 42.330 42.059 -0.205 0.000 1.383 55 L HN 0.635 nan 8.230 nan 0.000 0.582 56 E N 1.865 122.005 120.200 -0.099 0.000 2.694 56 E HA -0.202 4.148 4.350 -0.000 0.000 0.250 56 E C 0.532 177.096 176.600 -0.059 0.000 0.963 56 E CA 0.287 56.648 56.400 -0.066 0.000 0.949 56 E CB 0.103 29.793 29.700 -0.017 0.000 0.911 56 E HN 0.254 nan 8.360 nan 0.000 0.500 57 N N 3.185 121.851 118.700 -0.057 0.000 2.714 57 N HA -0.260 4.480 4.740 -0.000 0.000 0.250 57 N C -1.410 174.100 175.510 0.001 0.000 1.117 57 N CA 0.949 54.046 53.050 0.079 0.000 0.719 57 N CB -0.972 37.609 38.487 0.156 0.000 1.081 57 N HN 0.474 nan 8.380 nan 0.000 0.557 58 N N 0.539 119.074 118.700 -0.276 0.000 2.527 58 N HA 0.216 4.956 4.740 -0.000 0.000 0.236 58 N C -0.652 174.643 175.510 -0.360 0.000 0.999 58 N CA -0.237 52.699 53.050 -0.189 0.000 0.935 58 N CB -0.179 38.210 38.487 -0.164 0.000 1.132 58 N HN 0.183 nan 8.380 nan 0.000 0.511 59 F N 0.672 120.685 119.950 0.106 0.000 2.750 59 F HA 0.288 4.815 4.527 -0.000 0.000 0.297 59 F C 0.424 176.332 175.800 0.181 0.000 1.138 59 F CA -0.720 57.407 58.000 0.210 0.000 1.346 59 F CB 0.200 39.306 39.000 0.177 0.000 0.965 59 F HN 0.176 nan 8.300 nan 0.000 0.514 60 D N 0.726 121.242 120.400 0.193 0.000 2.382 60 D HA -0.060 4.579 4.640 -0.000 0.000 0.240 60 D C 0.032 176.437 176.300 0.175 0.000 1.146 60 D CA 0.123 54.215 54.000 0.154 0.000 0.897 60 D CB 0.588 41.438 40.800 0.084 0.000 1.197 60 D HN 0.068 nan 8.370 nan 0.000 0.432 61 D N 0.736 121.233 120.400 0.162 0.000 2.520 61 D HA -0.053 4.587 4.640 -0.000 0.000 0.243 61 D C 0.965 177.353 176.300 0.147 0.000 1.160 61 D CA 0.190 54.290 54.000 0.168 0.000 0.877 61 D CB 0.200 41.076 40.800 0.128 0.000 1.150 61 D HN 0.427 nan 8.370 nan 0.000 0.494 62 I N -0.196 120.481 120.570 0.178 0.000 4.082 62 I HA 0.238 4.408 4.170 -0.000 0.000 0.337 62 I C 0.179 176.423 176.117 0.212 0.000 1.352 62 I CA -0.721 60.670 61.300 0.151 0.000 1.097 62 I CB 0.061 38.107 38.000 0.076 0.000 1.048 62 I HN -0.021 nan 8.210 nan 0.000 0.393 63 K N 1.734 122.245 120.400 0.185 0.000 2.448 63 K HA 0.116 4.436 4.320 -0.000 0.000 0.278 63 K C 0.186 176.939 176.600 0.254 0.000 1.009 63 K CA 0.079 56.465 56.287 0.165 0.000 0.995 63 K CB 0.573 33.144 32.500 0.118 0.000 0.917 63 K HN 0.392 nan 8.250 nan 0.000 0.481 64 H N 0.258 119.359 119.070 0.052 0.000 2.548 64 H HA -0.055 4.501 4.556 -0.000 0.000 0.268 64 H C 1.483 176.836 175.328 0.042 0.000 0.975 64 H CA 0.990 57.064 56.048 0.043 0.000 1.195 64 H CB 0.452 30.236 29.762 0.036 0.000 1.397 64 H HN 0.683 nan 8.280 nan 0.000 0.572 65 T N -1.733 112.919 114.554 0.164 0.000 3.065 65 T HA 0.001 4.351 4.350 -0.000 0.000 0.252 65 T C 1.045 175.799 174.700 0.090 0.000 1.099 65 T CA -0.136 62.029 62.100 0.108 0.000 1.063 65 T CB -0.150 68.768 68.868 0.083 0.000 0.948 65 T HN -0.034 nan 8.240 nan 0.000 0.506 66 T N 3.090 117.701 114.554 0.096 0.000 2.934 66 T HA 0.393 4.743 4.350 -0.000 0.000 0.306 66 T C -0.228 174.510 174.700 0.062 0.000 1.042 66 T CA 0.188 62.338 62.100 0.084 0.000 1.145 66 T CB 0.122 69.042 68.868 0.087 0.000 0.982 66 T HN 0.286 nan 8.240 nan 0.000 0.544 67 L N 1.960 123.216 121.223 0.055 0.000 2.370 67 L HA 0.719 5.059 4.340 -0.000 0.000 0.266 67 L C 0.858 177.692 176.870 -0.059 0.000 1.002 67 L CA -1.053 53.775 54.840 -0.021 0.000 0.818 67 L CB 2.082 44.097 42.059 -0.073 0.000 1.325 67 L HN 0.741 nan 8.230 nan 0.000 0.418 68 G N -0.398 108.292 108.800 -0.184 0.000 2.552 68 G HA2 0.246 4.206 3.960 -0.000 0.000 0.318 68 G HA3 0.246 4.206 3.960 -0.000 0.000 0.318 68 G C 0.365 174.911 174.900 -0.590 0.000 1.240 68 G CA -0.252 44.681 45.100 -0.278 0.000 1.002 68 G HN 0.782 nan 8.290 nan 0.000 0.493 69 E N -0.605 119.273 120.200 -0.535 0.000 2.051 69 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 69 E C 2.284 178.634 176.600 -0.417 0.000 0.991 69 E CA 1.034 57.020 56.400 -0.690 0.000 0.799 69 E CB -0.064 29.544 29.700 -0.153 0.000 0.748 69 E HN 0.503 nan 8.360 nan 0.000 0.449 70 R N -0.060 120.302 120.500 -0.230 0.000 2.094 70 R HA -0.151 4.189 4.340 -0.000 0.000 0.239 70 R C 2.350 178.572 176.300 -0.130 0.000 1.137 70 R CA 1.907 57.941 56.100 -0.111 0.000 0.943 70 R CB -0.750 29.541 30.300 -0.016 0.000 0.850 70 R HN 0.292 nan 8.270 nan 0.000 0.433 71 G N -0.296 108.410 108.800 -0.157 0.000 2.408 71 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 71 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 71 G C 1.536 176.331 174.900 -0.175 0.000 1.150 71 G CA 0.727 45.750 45.100 -0.127 0.000 0.776 71 G HN 0.512 nan 8.290 nan 0.000 0.542 72 A N 0.640 123.251 122.820 -0.348 0.000 1.898 72 A HA 0.119 4.439 4.320 -0.000 0.000 0.216 72 A C 2.420 179.898 177.584 -0.176 0.000 1.181 72 A CA 1.144 52.966 52.037 -0.358 0.000 0.620 72 A CB -0.407 18.050 19.000 -0.905 0.000 0.819 72 A HN 0.342 nan 8.150 nan 0.000 0.442 73 L N -1.066 120.059 121.223 -0.163 0.000 2.046 73 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 73 L C 2.917 179.780 176.870 -0.013 0.000 1.077 73 L CA 1.497 56.323 54.840 -0.023 0.000 0.747 73 L CB -0.491 41.573 42.059 0.008 0.000 0.896 73 L HN 0.374 nan 8.230 nan 0.000 0.432 74 R N -0.194 120.285 120.500 -0.035 0.000 2.073 74 R HA -0.214 4.126 4.340 -0.000 0.000 0.234 74 R C 2.249 178.542 176.300 -0.012 0.000 1.134 74 R CA 1.634 57.724 56.100 -0.018 0.000 0.952 74 R CB -0.240 30.047 30.300 -0.022 0.000 0.850 74 R HN 0.228 nan 8.270 nan 0.000 0.433 75 E N 0.680 120.868 120.200 -0.020 0.000 2.106 75 E HA -0.095 4.255 4.350 -0.000 0.000 0.192 75 E C 1.750 178.351 176.600 0.002 0.000 0.984 75 E CA 1.336 57.731 56.400 -0.007 0.000 0.806 75 E CB -0.054 29.642 29.700 -0.007 0.000 0.750 75 E HN 0.334 nan 8.360 nan 0.000 0.458 76 A N 0.123 122.950 122.820 0.012 0.000 1.930 76 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 76 A C 2.192 179.788 177.584 0.019 0.000 1.175 76 A CA 1.561 53.614 52.037 0.026 0.000 0.627 76 A CB -0.455 18.590 19.000 0.076 0.000 0.815 76 A HN 0.330 nan 8.150 nan 0.000 0.443 77 M N -1.597 118.016 119.600 0.022 0.000 2.319 77 M HA -0.052 4.428 4.480 -0.000 0.000 0.265 77 M C 2.294 178.601 176.300 0.012 0.000 1.068 77 M CA 1.294 56.607 55.300 0.021 0.000 1.118 77 M CB -0.156 32.456 32.600 0.021 0.000 1.395 77 M HN 0.439 nan 8.290 nan 0.000 0.435 78 R N 0.080 120.584 120.500 0.007 0.000 2.115 78 R HA -0.051 4.289 4.340 -0.000 0.000 0.226 78 R C 0.803 177.105 176.300 0.002 0.000 1.100 78 R CA 0.481 56.585 56.100 0.006 0.000 0.980 78 R CB -0.100 30.203 30.300 0.004 0.000 0.875 78 R HN 0.439 nan 8.270 nan 0.000 0.445 79 C N 1.294 120.590 119.300 -0.008 0.000 2.538 79 C HA 0.014 4.474 4.460 -0.000 0.000 0.408 79 C C 1.909 176.890 174.990 -0.015 0.000 1.421 79 C CA -0.396 58.609 59.018 -0.023 0.000 1.642 79 C CB -0.510 27.198 27.740 -0.054 0.000 2.553 79 C HN 0.571 nan 8.230 nan 0.000 0.604 80 L N 3.849 125.064 121.223 -0.013 0.000 2.478 80 L HA 0.033 4.373 4.340 -0.000 0.000 0.223 80 L C 1.562 178.423 176.870 -0.014 0.000 1.140 80 L CA 0.531 55.369 54.840 -0.003 0.000 0.842 80 L CB -0.607 41.453 42.059 0.002 0.000 0.953 80 L HN 0.825 nan 8.230 nan 0.000 0.452 81 K N -0.068 120.309 120.400 -0.039 0.000 3.419 81 K HA -0.171 4.149 4.320 -0.000 0.000 0.272 81 K C -0.130 176.446 176.600 -0.039 0.000 0.973 81 K CA -0.080 56.176 56.287 -0.053 0.000 0.749 81 K CB -2.285 30.192 32.500 -0.038 0.000 1.403 81 K HN 0.308 nan 8.250 nan 0.000 0.456 82 C N 0.689 119.965 119.300 -0.040 0.000 2.689 82 C HA 0.407 4.867 4.460 -0.000 0.000 0.409 82 C C 1.622 176.593 174.990 -0.031 0.000 1.293 82 C CA -0.475 58.526 59.018 -0.028 0.000 2.136 82 C CB 0.072 27.798 27.740 -0.024 0.000 2.719 82 C HN 0.669 nan 8.230 nan 0.000 0.644 83 A N 1.174 123.982 122.820 -0.020 0.000 2.371 83 A HA 0.453 4.773 4.320 -0.000 0.000 0.257 83 A C 0.672 178.248 177.584 -0.014 0.000 1.089 83 A CA 0.080 52.106 52.037 -0.017 0.000 0.794 83 A CB -0.110 18.882 19.000 -0.012 0.000 1.029 83 A HN 1.089 nan 8.150 nan 0.000 0.488 84 D N -0.065 120.329 120.400 -0.010 0.000 2.702 84 D HA -0.142 4.498 4.640 -0.000 0.000 0.233 84 D C 0.515 176.807 176.300 -0.013 0.000 1.164 84 D CA 1.091 55.090 54.000 -0.002 0.000 0.638 84 D CB -1.186 39.620 40.800 0.009 0.000 1.041 84 D HN 1.161 nan 8.370 nan 0.000 0.422 85 A N 0.658 123.457 122.820 -0.035 0.000 2.583 85 A HA 0.122 4.442 4.320 -0.000 0.000 0.249 85 A C -0.435 177.125 177.584 -0.040 0.000 1.035 85 A CA 0.065 52.075 52.037 -0.045 0.000 0.777 85 A CB 0.349 19.304 19.000 -0.074 0.000 0.942 85 A HN 0.334 nan 8.150 nan 0.000 0.516 86 P HA -0.149 nan 4.420 nan 0.000 0.221 86 P C 1.622 178.907 177.300 -0.023 0.000 1.150 86 P CA 1.684 64.775 63.100 -0.015 0.000 0.800 86 P CB -0.435 31.260 31.700 -0.009 0.000 0.787 87 C N -0.455 118.823 119.300 -0.036 0.000 2.429 87 C HA -0.112 4.348 4.460 -0.000 0.000 0.277 87 C C 3.000 177.962 174.990 -0.048 0.000 1.262 87 C CA 0.958 59.953 59.018 -0.037 0.000 1.733 87 C CB -2.235 25.477 27.740 -0.047 0.000 2.010 87 C HN 0.218 nan 8.230 nan 0.000 0.483 88 Q N 1.422 121.169 119.800 -0.088 0.000 2.079 88 Q HA -0.169 4.171 4.340 -0.000 0.000 0.200 88 Q C 2.275 178.202 176.000 -0.122 0.000 0.974 88 Q CA 1.531 57.236 55.803 -0.164 0.000 0.840 88 Q CB -0.185 28.382 28.738 -0.285 0.000 0.898 88 Q HN 0.717 nan 8.270 nan 0.000 0.430 89 K N -0.191 120.187 120.400 -0.037 0.000 2.209 89 K HA -0.038 4.282 4.320 -0.000 0.000 0.204 89 K C 1.755 178.394 176.600 0.065 0.000 1.048 89 K CA 1.286 57.617 56.287 0.074 0.000 0.940 89 K CB 0.138 32.673 32.500 0.060 0.000 0.729 89 K HN 0.070 nan 8.250 nan 0.000 0.451 90 S N 0.242 115.956 115.700 0.023 0.000 2.575 90 S HA 0.006 4.476 4.470 -0.000 0.000 0.215 90 S C 0.423 175.036 174.600 0.022 0.000 0.966 90 S CA -0.275 57.936 58.200 0.018 0.000 0.911 90 S CB -0.033 63.165 63.200 -0.003 0.000 0.780 90 S HN 0.349 nan 8.310 nan 0.000 0.514 91 C N 3.629 122.947 119.300 0.030 0.000 2.285 91 C HA 0.454 4.914 4.460 -0.000 0.000 0.335 91 C C -1.575 173.451 174.990 0.061 0.000 1.267 91 C CA -2.193 56.845 59.018 0.034 0.000 1.762 91 C CB 0.461 28.213 27.740 0.021 0.000 2.365 91 C HN 0.243 nan 8.230 nan 0.000 0.527 92 P HA -0.094 nan 4.420 nan 0.000 0.219 92 P C 1.241 178.575 177.300 0.057 0.000 1.146 92 P CA 1.842 64.971 63.100 0.048 0.000 0.808 92 P CB 0.044 31.764 31.700 0.033 0.000 0.779 93 T N -6.655 107.934 114.554 0.058 0.000 3.105 93 T HA 0.161 4.511 4.350 -0.000 0.000 0.253 93 T C 0.410 175.186 174.700 0.127 0.000 1.047 93 T CA -0.296 61.842 62.100 0.064 0.000 0.944 93 T CB -1.050 67.841 68.868 0.037 0.000 1.016 93 T HN 0.061 nan 8.240 nan 0.000 0.544 94 H N -0.203 118.867 119.070 0.000 0.000 2.741 94 H HA -0.114 4.442 4.556 -0.000 0.000 0.305 94 H C -0.429 174.910 175.328 0.018 0.000 1.169 94 H CA -0.167 55.884 56.048 0.004 0.000 1.144 94 H CB -2.295 27.462 29.762 -0.009 0.000 1.397 94 H HN 0.359 nan 8.280 nan 0.000 0.409 95 L N 1.062 122.282 121.223 -0.004 0.000 2.525 95 L HA 0.044 4.384 4.340 -0.000 0.000 0.278 95 L C 0.938 177.790 176.870 -0.030 0.000 1.218 95 L CA 0.837 55.688 54.840 0.017 0.000 0.878 95 L CB 0.335 42.443 42.059 0.083 0.000 1.127 95 L HN 0.380 nan 8.230 nan 0.000 0.492 96 D N 3.852 124.261 120.400 0.015 0.000 2.551 96 D HA 0.055 4.695 4.640 -0.000 0.000 0.223 96 D C 1.325 177.636 176.300 0.018 0.000 1.144 96 D CA 0.182 54.168 54.000 -0.024 0.000 1.025 96 D CB 0.078 40.877 40.800 -0.002 0.000 1.085 96 D HN 0.441 nan 8.370 nan 0.000 0.506 97 I N 1.949 122.475 120.570 -0.073 0.000 2.208 97 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 97 I C 2.484 178.318 176.117 -0.473 0.000 1.097 97 I CA 0.890 61.975 61.300 -0.358 0.000 1.363 97 I CB -0.139 37.702 38.000 -0.265 0.000 1.051 97 I HN 0.309 nan 8.210 nan 0.000 0.413 98 K N 1.035 121.289 120.400 -0.244 0.000 2.044 98 K HA -0.215 4.105 4.320 -0.000 0.000 0.210 98 K C 2.228 178.733 176.600 -0.158 0.000 1.049 98 K CA 2.184 58.360 56.287 -0.184 0.000 0.927 98 K CB -0.069 32.365 32.500 -0.109 0.000 0.713 98 K HN 0.182 nan 8.250 nan 0.000 0.443 99 S N 0.598 116.237 115.700 -0.102 0.000 2.355 99 S HA -0.107 4.363 4.470 -0.000 0.000 0.222 99 S C 1.631 176.243 174.600 0.020 0.000 1.031 99 S CA 1.329 59.506 58.200 -0.039 0.000 0.993 99 S CB -0.448 62.746 63.200 -0.009 0.000 0.859 99 S HN 0.559 nan 8.310 nan 0.000 0.453 100 F N 1.838 121.771 119.950 -0.028 0.000 2.234 100 F HA 0.141 4.668 4.527 -0.000 0.000 0.299 100 F C 1.694 177.513 175.800 0.032 0.000 1.087 100 F CA 0.642 58.636 58.000 -0.009 0.000 1.340 100 F CB -0.773 38.213 39.000 -0.024 0.000 1.031 100 F HN 0.100 nan 8.300 nan 0.000 0.500 101 I N 0.504 120.848 120.570 -0.376 0.000 2.439 101 I HA -0.210 3.960 4.170 -0.000 0.000 0.251 101 I C 2.241 178.347 176.117 -0.017 0.000 1.139 101 I CA 1.467 62.640 61.300 -0.211 0.000 1.438 101 I CB -0.879 36.882 38.000 -0.398 0.000 1.085 101 I HN 0.222 nan 8.210 nan 0.000 0.427 102 T N 0.210 114.742 114.554 -0.036 0.000 2.746 102 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 102 T C 2.149 176.888 174.700 0.066 0.000 1.039 102 T CA 1.791 63.898 62.100 0.011 0.000 1.142 102 T CB -0.132 68.726 68.868 -0.015 0.000 0.866 102 T HN 0.274 nan 8.240 nan 0.000 0.444 103 S N 1.030 116.784 115.700 0.089 0.000 2.368 103 S HA -0.013 4.456 4.470 -0.000 0.000 0.225 103 S C 2.039 176.744 174.600 0.175 0.000 1.030 103 S CA 0.924 59.194 58.200 0.117 0.000 0.999 103 S CB -0.422 62.851 63.200 0.122 0.000 0.844 103 S HN 0.426 nan 8.310 nan 0.000 0.459 104 I N 1.968 122.699 120.570 0.268 0.000 2.226 104 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 104 I C 2.665 178.953 176.117 0.286 0.000 1.100 104 I CA 1.420 62.961 61.300 0.403 0.000 1.374 104 I CB -0.566 37.687 38.000 0.421 0.000 1.057 104 I HN 0.377 nan 8.210 nan 0.000 0.413 105 S N 0.837 116.640 115.700 0.172 0.000 2.419 105 S HA -0.126 4.344 4.470 -0.000 0.000 0.233 105 S C 1.481 176.147 174.600 0.109 0.000 1.016 105 S CA 1.131 59.404 58.200 0.122 0.000 0.974 105 S CB -0.421 62.827 63.200 0.080 0.000 0.786 105 S HN 0.419 nan 8.310 nan 0.000 0.492 106 N N 1.412 120.174 118.700 0.103 0.000 2.314 106 N HA 0.230 4.970 4.740 -0.000 0.000 0.200 106 N C -0.162 175.355 175.510 0.011 0.000 1.135 106 N CA 0.117 53.215 53.050 0.081 0.000 0.835 106 N CB -0.037 38.524 38.487 0.122 0.000 0.989 106 N HN 0.512 nan 8.380 nan 0.000 0.478 107 K N -0.591 119.786 120.400 -0.040 0.000 3.341 107 K HA -0.196 4.124 4.320 -0.000 0.000 0.305 107 K C -0.267 175.972 176.600 -0.601 0.000 1.270 107 K CA 0.447 56.520 56.287 -0.356 0.000 0.897 107 K CB -1.448 30.944 32.500 -0.180 0.000 1.264 107 K HN 0.134 nan 8.250 nan 0.000 0.468 108 N N 0.853 119.403 118.700 -0.249 0.000 3.083 108 N HA 0.109 4.849 4.740 -0.000 0.000 0.260 108 N C 0.398 175.930 175.510 0.036 0.000 1.163 108 N CA -0.213 52.782 53.050 -0.092 0.000 1.060 108 N CB 0.166 38.679 38.487 0.044 0.000 1.345 108 N HN 0.075 nan 8.380 nan 0.000 0.515 109 Y N 0.826 121.252 120.300 0.210 0.000 2.293 109 Y HA -0.133 4.417 4.550 -0.000 0.000 0.291 109 Y C 1.791 177.778 175.900 0.146 0.000 1.137 109 Y CA 0.724 58.928 58.100 0.174 0.000 1.202 109 Y CB -1.009 37.540 38.460 0.149 0.000 0.990 109 Y HN 0.547 nan 8.280 nan 0.000 0.537 110 Y N 0.559 120.997 120.300 0.230 0.000 2.145 110 Y HA -0.098 4.452 4.550 -0.000 0.000 0.286 110 Y C 2.550 178.470 175.900 0.033 0.000 1.145 110 Y CA 1.525 59.712 58.100 0.145 0.000 1.148 110 Y CB -0.805 37.745 38.460 0.149 0.000 0.981 110 Y HN 0.049 nan 8.280 nan 0.000 0.507 111 G N -0.049 108.693 108.800 -0.096 0.000 2.442 111 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.219 111 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.219 111 G C 1.806 176.612 174.900 -0.157 0.000 1.141 111 G CA 1.132 46.125 45.100 -0.178 0.000 0.763 111 G HN 0.648 nan 8.290 nan 0.000 0.554 112 A N 1.198 124.009 122.820 -0.015 0.000 1.873 112 A HA 0.295 4.615 4.320 -0.000 0.000 0.215 112 A C 2.843 180.351 177.584 -0.127 0.000 1.186 112 A CA 2.262 54.334 52.037 0.059 0.000 0.616 112 A CB -0.871 18.268 19.000 0.232 0.000 0.823 112 A HN 0.802 nan 8.150 nan 0.000 0.442 113 A N -0.163 122.540 122.820 -0.194 0.000 1.902 113 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 113 A C 2.144 179.474 177.584 -0.423 0.000 1.181 113 A CA 2.065 53.934 52.037 -0.281 0.000 0.623 113 A CB -0.477 18.308 19.000 -0.359 0.000 0.818 113 A HN 0.576 nan 8.150 nan 0.000 0.443 114 K N -1.304 118.739 120.400 -0.595 0.000 2.057 114 K HA -0.186 4.134 4.320 -0.000 0.000 0.207 114 K C 2.021 178.470 176.600 -0.252 0.000 1.049 114 K CA 1.882 57.887 56.287 -0.471 0.000 0.931 114 K CB -0.236 31.898 32.500 -0.609 0.000 0.714 114 K HN 0.366 nan 8.250 nan 0.000 0.440 115 M N 1.180 120.658 119.600 -0.204 0.000 2.132 115 M HA -0.059 4.421 4.480 -0.000 0.000 0.263 115 M C 1.644 177.875 176.300 -0.116 0.000 1.065 115 M CA 1.437 56.678 55.300 -0.099 0.000 1.122 115 M CB -0.105 32.493 32.600 -0.003 0.000 1.365 115 M HN 0.211 nan 8.290 nan 0.000 0.411 116 I N -0.960 119.480 120.570 -0.217 0.000 2.113 116 I HA -0.287 3.883 4.170 -0.000 0.000 0.238 116 I C 1.802 177.702 176.117 -0.362 0.000 1.070 116 I CA 1.380 62.475 61.300 -0.342 0.000 1.332 116 I CB -0.526 37.155 38.000 -0.532 0.000 1.044 116 I HN 0.153 nan 8.210 nan 0.000 0.402 117 F N 0.696 120.340 119.950 -0.509 0.000 2.365 117 F HA -0.146 4.381 4.527 -0.000 0.000 0.300 117 F C 2.699 178.260 175.800 -0.398 0.000 1.090 117 F CA 0.944 58.558 58.000 -0.643 0.000 1.408 117 F CB -0.603 37.549 39.000 -1.414 0.000 1.060 117 F HN -0.040 nan 8.300 nan 0.000 0.534 118 S N -0.647 115.005 115.700 -0.081 0.000 2.382 118 S HA -0.180 4.290 4.470 -0.000 0.000 0.228 118 S C 1.575 176.257 174.600 0.136 0.000 1.027 118 S CA 1.516 59.752 58.200 0.061 0.000 0.991 118 S CB -0.181 63.031 63.200 0.019 0.000 0.823 118 S HN 0.383 nan 8.310 nan 0.000 0.469 119 D N 0.172 120.616 120.400 0.073 0.000 2.389 119 D HA 0.131 4.771 4.640 -0.000 0.000 0.206 119 D C 0.100 176.484 176.300 0.139 0.000 1.055 119 D CA 0.267 54.357 54.000 0.150 0.000 0.856 119 D CB 0.221 41.068 40.800 0.079 0.000 0.957 119 D HN 0.161 nan 8.370 nan 0.000 0.509 120 N N 0.362 119.041 118.700 -0.034 0.000 2.621 120 N HA 0.149 4.889 4.740 -0.000 0.000 0.271 120 N C -2.447 172.858 175.510 -0.341 0.000 1.181 120 N CA -1.439 51.536 53.050 -0.126 0.000 0.805 120 N CB 2.078 40.442 38.487 -0.205 0.000 1.351 120 N HN -0.310 nan 8.380 nan 0.000 0.539 121 P HA 0.004 nan 4.420 nan 0.000 0.223 121 P C 0.258 177.435 177.300 -0.205 0.000 1.144 121 P CA 0.867 63.862 63.100 -0.175 0.000 0.783 121 P CB 0.353 31.962 31.700 -0.152 0.000 0.771 122 L N -1.616 119.438 121.223 -0.281 0.000 3.141 122 L HA 0.368 4.708 4.340 -0.000 0.000 0.263 122 L C 1.857 178.494 176.870 -0.388 0.000 1.312 122 L CA 0.064 54.768 54.840 -0.227 0.000 1.012 122 L CB -0.649 41.349 42.059 -0.101 0.000 1.408 122 L HN -0.108 nan 8.230 nan 0.000 0.559 123 G N -0.080 108.182 108.800 -0.897 0.000 2.469 123 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.220 123 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.220 123 G C 1.451 176.094 174.900 -0.427 0.000 1.136 123 G CA 0.853 45.431 45.100 -0.871 0.000 0.759 123 G HN 0.363 nan 8.290 nan 0.000 0.562 124 L N 0.725 121.836 121.223 -0.187 0.000 2.044 124 L HA 0.089 4.429 4.340 -0.000 0.000 0.205 124 L C 2.911 179.781 176.870 0.000 0.000 1.075 124 L CA 2.415 57.280 54.840 0.042 0.000 0.747 124 L CB -1.080 41.149 42.059 0.283 0.000 0.903 124 L HN 0.166 nan 8.230 nan 0.000 0.435 125 T N -1.058 113.494 114.554 -0.004 0.000 2.684 125 T HA -0.235 4.115 4.350 -0.000 0.000 0.267 125 T C 2.000 176.681 174.700 -0.031 0.000 1.036 125 T CA 1.869 63.963 62.100 -0.009 0.000 1.148 125 T CB -0.713 68.149 68.868 -0.011 0.000 0.863 125 T HN 0.475 nan 8.240 nan 0.000 0.436 126 C N 1.256 120.515 119.300 -0.069 0.000 2.425 126 C HA 0.054 4.514 4.460 -0.000 0.000 0.277 126 C C 3.089 178.051 174.990 -0.046 0.000 1.280 126 C CA 0.362 59.343 59.018 -0.062 0.000 1.744 126 C CB -1.570 26.115 27.740 -0.092 0.000 1.989 126 C HN 0.743 nan 8.230 nan 0.000 0.491 127 G N 0.126 108.888 108.800 -0.063 0.000 2.442 127 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.219 127 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.219 127 G C 1.591 176.495 174.900 0.006 0.000 1.141 127 G CA 0.817 45.899 45.100 -0.029 0.000 0.763 127 G HN 0.525 nan 8.290 nan 0.000 0.554 128 M N 0.107 119.711 119.600 0.005 0.000 2.334 128 M HA 0.067 4.547 4.480 -0.000 0.000 0.266 128 M C 2.409 178.721 176.300 0.019 0.000 1.082 128 M CA 1.033 56.346 55.300 0.022 0.000 1.141 128 M CB 0.262 32.877 32.600 0.024 0.000 1.380 128 M HN 0.248 nan 8.290 nan 0.000 0.440 129 V N -4.276 115.643 119.914 0.008 0.000 3.645 129 V HA 0.204 4.324 4.120 -0.000 0.000 0.275 129 V C 0.793 176.889 176.094 0.004 0.000 1.356 129 V CA -0.650 61.654 62.300 0.007 0.000 1.051 129 V CB -0.751 31.074 31.823 0.004 0.000 0.828 129 V HN 0.271 nan 8.190 nan 0.000 0.441 130 C N 4.488 123.788 119.300 0.001 0.000 2.596 130 C HA 0.257 4.717 4.460 -0.000 0.000 0.414 130 C C -1.313 173.677 174.990 0.001 0.000 1.396 130 C CA -0.060 58.958 59.018 0.001 0.000 1.698 130 C CB 0.062 27.802 27.740 0.001 0.000 2.572 130 C HN 0.535 nan 8.230 nan 0.000 0.604 131 P HA 0.088 nan 4.420 nan 0.000 0.231 131 P C 1.014 178.309 177.300 -0.009 0.000 1.811 131 P CA 0.294 63.387 63.100 -0.011 0.000 1.051 131 P CB -0.058 31.633 31.700 -0.016 0.000 1.951 132 T N -0.970 113.584 114.554 -0.001 0.000 2.760 132 T HA -0.242 4.108 4.350 -0.000 0.000 0.269 132 T C 1.854 176.550 174.700 -0.007 0.000 1.047 132 T CA 2.018 64.120 62.100 0.004 0.000 1.139 132 T CB -1.149 67.731 68.868 0.019 0.000 0.855 132 T HN 0.318 nan 8.240 nan 0.000 0.471 133 S N 1.254 116.946 115.700 -0.013 0.000 2.419 133 S HA -0.141 4.329 4.470 -0.000 0.000 0.233 133 S C 1.634 176.209 174.600 -0.042 0.000 1.016 133 S CA 1.406 59.590 58.200 -0.026 0.000 0.974 133 S CB -0.598 62.588 63.200 -0.024 0.000 0.786 133 S HN 0.622 nan 8.310 nan 0.000 0.492 134 D N -0.304 120.076 120.400 -0.033 0.000 2.363 134 D HA 0.384 5.024 4.640 -0.000 0.000 0.214 134 D C 0.682 176.968 176.300 -0.025 0.000 1.093 134 D CA 0.031 54.011 54.000 -0.034 0.000 0.837 134 D CB 0.176 40.959 40.800 -0.029 0.000 0.948 134 D HN 0.439 nan 8.370 nan 0.000 0.507 135 L N -1.237 119.974 121.223 -0.020 0.000 2.910 135 L HA 0.212 4.552 4.340 -0.000 0.000 0.222 135 L C 2.319 179.182 176.870 -0.011 0.000 1.846 135 L CA -0.305 54.529 54.840 -0.010 0.000 2.581 135 L CB -0.652 41.407 42.059 0.000 0.000 2.436 135 L HN 0.062 nan 8.230 nan 0.000 0.659 136 C N -0.204 119.096 119.300 0.000 0.000 2.393 136 C HA -0.124 4.336 4.460 -0.000 0.000 0.276 136 C C 2.407 177.393 174.990 -0.007 0.000 1.215 136 C CA 0.564 59.582 59.018 -0.000 0.000 1.743 136 C CB -1.342 26.407 27.740 0.016 0.000 2.044 136 C HN 0.484 nan 8.230 nan 0.000 0.464 137 V N 2.231 122.145 119.914 0.000 0.000 2.490 137 V HA -0.025 4.095 4.120 -0.000 0.000 0.250 137 V C 2.994 179.073 176.094 -0.025 0.000 1.061 137 V CA 2.248 64.550 62.300 0.003 0.000 1.064 137 V CB -1.622 30.212 31.823 0.019 0.000 0.670 137 V HN 0.779 nan 8.190 nan 0.000 0.461 138 G N -0.132 108.637 108.800 -0.052 0.000 2.498 138 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.219 138 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.219 138 G C 1.288 176.114 174.900 -0.123 0.000 1.119 138 G CA 0.845 45.878 45.100 -0.111 0.000 0.766 138 G HN 0.630 nan 8.290 nan 0.000 0.552 139 G N -1.165 107.596 108.800 -0.066 0.000 3.324 139 G HA2 0.188 4.148 3.960 -0.000 0.000 0.251 139 G HA3 0.188 4.148 3.960 -0.000 0.000 0.251 139 G C 0.403 175.291 174.900 -0.021 0.000 1.072 139 G CA 0.037 45.107 45.100 -0.050 0.000 0.787 139 G HN 0.383 nan 8.290 nan 0.000 0.537 140 C N 1.598 120.895 119.300 -0.005 0.000 2.633 140 C HA 0.162 4.622 4.460 -0.000 0.000 0.415 140 C C 1.870 176.897 174.990 0.062 0.000 1.393 140 C CA -0.479 58.554 59.018 0.025 0.000 1.700 140 C CB -0.456 27.308 27.740 0.040 0.000 2.541 140 C HN 0.468 nan 8.230 nan 0.000 0.603 141 N N 3.276 122.001 118.700 0.042 0.000 2.205 141 N HA -0.107 4.633 4.740 -0.000 0.000 0.186 141 N C 1.438 176.990 175.510 0.070 0.000 1.015 141 N CA 1.310 54.391 53.050 0.052 0.000 0.862 141 N CB -0.159 38.343 38.487 0.026 0.000 0.986 141 N HN 0.777 nan 8.380 nan 0.000 0.429 142 L N 0.120 121.379 121.223 0.061 0.000 2.633 142 L HA -0.114 4.226 4.340 -0.000 0.000 0.235 142 L C 1.835 178.743 176.870 0.063 0.000 1.163 142 L CA 0.256 55.124 54.840 0.046 0.000 0.859 142 L CB -0.389 41.687 42.059 0.028 0.000 0.973 142 L HN 0.153 nan 8.230 nan 0.000 0.451 143 Y N 0.712 121.008 120.300 -0.006 0.000 2.421 143 Y HA -0.148 4.402 4.550 -0.000 0.000 0.292 143 Y C 2.204 178.101 175.900 -0.005 0.000 1.136 143 Y CA 0.886 58.983 58.100 -0.004 0.000 1.255 143 Y CB 0.045 38.502 38.460 -0.004 0.000 0.991 143 Y HN 0.134 nan 8.280 nan 0.000 0.552 144 A N -0.006 122.841 122.820 0.044 0.000 2.276 144 A HA 0.167 4.487 4.320 -0.000 0.000 0.212 144 A C 0.805 178.348 177.584 -0.067 0.000 1.230 144 A CA 0.681 52.710 52.037 -0.013 0.000 0.844 144 A CB -1.154 17.870 19.000 0.039 0.000 0.860 144 A HN 0.388 nan 8.150 nan 0.000 0.486 145 T N -4.819 109.678 114.554 -0.096 0.000 2.924 145 T HA 0.527 4.877 4.350 -0.000 0.000 0.291 145 T C 0.397 175.026 174.700 -0.120 0.000 1.045 145 T CA -0.443 61.608 62.100 -0.082 0.000 1.015 145 T CB 1.439 70.279 68.868 -0.045 0.000 1.103 145 T HN 0.095 nan 8.240 nan 0.000 0.496 146 E N 0.717 120.862 120.200 -0.092 0.000 2.118 146 E HA -0.161 4.188 4.350 -0.000 0.000 0.195 146 E C 2.125 178.675 176.600 -0.082 0.000 0.992 146 E CA 1.583 57.927 56.400 -0.092 0.000 0.804 146 E CB -0.076 29.586 29.700 -0.063 0.000 0.741 146 E HN 0.848 nan 8.360 nan 0.000 0.458 147 E N 0.587 120.752 120.200 -0.057 0.000 2.338 147 E HA -0.047 4.303 4.350 -0.000 0.000 0.197 147 E C 1.101 177.677 176.600 -0.041 0.000 1.007 147 E CA 0.907 57.283 56.400 -0.039 0.000 0.849 147 E CB -0.376 29.312 29.700 -0.020 0.000 0.774 147 E HN 0.135 nan 8.360 nan 0.000 0.506 148 G N 0.665 109.424 108.800 -0.068 0.000 2.757 148 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.638 148 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.638 148 G C -0.329 174.579 174.900 0.013 0.000 1.344 148 G CA -0.196 44.869 45.100 -0.059 0.000 0.855 148 G HN 0.269 nan 8.290 nan 0.000 0.537 149 S N -0.206 115.544 115.700 0.083 0.000 2.576 149 S HA 0.389 4.859 4.470 -0.000 0.000 0.272 149 S C 1.201 175.836 174.600 0.058 0.000 1.352 149 S CA -0.329 57.932 58.200 0.102 0.000 1.021 149 S CB 0.425 63.720 63.200 0.159 0.000 0.887 149 S HN 0.602 nan 8.310 nan 0.000 0.542 150 I N 2.626 123.220 120.570 0.041 0.000 2.575 150 I HA 0.068 4.238 4.170 -0.000 0.000 0.285 150 I C 0.834 176.972 176.117 0.036 0.000 1.085 150 I CA -0.223 61.092 61.300 0.025 0.000 1.403 150 I CB 0.120 38.119 38.000 -0.001 0.000 1.409 150 I HN 0.559 nan 8.210 nan 0.000 0.557 151 N N 6.268 124.992 118.700 0.040 0.000 2.895 151 N HA 0.134 4.874 4.740 -0.000 0.000 0.277 151 N C 0.972 176.526 175.510 0.073 0.000 1.185 151 N CA 0.059 53.142 53.050 0.055 0.000 1.106 151 N CB -0.085 38.434 38.487 0.053 0.000 1.422 151 N HN 0.490 nan 8.380 nan 0.000 0.521 152 I N 0.311 120.925 120.570 0.073 0.000 2.226 152 I HA -0.168 4.002 4.170 -0.000 0.000 0.245 152 I C 2.278 178.504 176.117 0.182 0.000 1.100 152 I CA 1.193 62.564 61.300 0.119 0.000 1.374 152 I CB -0.355 37.697 38.000 0.086 0.000 1.057 152 I HN 0.492 nan 8.210 nan 0.000 0.413 153 G N 0.686 109.555 108.800 0.116 0.000 2.446 153 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 153 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 153 G C 1.729 176.688 174.900 0.098 0.000 1.168 153 G CA 0.887 46.043 45.100 0.093 0.000 0.771 153 G HN 0.500 nan 8.290 nan 0.000 0.551 154 G N 0.636 109.497 108.800 0.101 0.000 2.422 154 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.218 154 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.218 154 G C 1.811 176.800 174.900 0.148 0.000 1.146 154 G CA 0.680 45.843 45.100 0.105 0.000 0.769 154 G HN 0.426 nan 8.290 nan 0.000 0.547 155 L N -0.267 121.067 121.223 0.186 0.000 2.056 155 L HA -0.076 4.263 4.340 -0.000 0.000 0.207 155 L C 2.958 180.007 176.870 0.298 0.000 1.078 155 L CA 1.458 56.466 54.840 0.280 0.000 0.749 155 L CB -0.408 41.845 42.059 0.322 0.000 0.901 155 L HN 0.313 nan 8.230 nan 0.000 0.433 156 Q N -0.002 119.924 119.800 0.209 0.000 2.084 156 Q HA -0.295 4.044 4.340 -0.000 0.000 0.202 156 Q C 2.250 178.204 176.000 -0.076 0.000 0.978 156 Q CA 1.862 57.579 55.803 -0.143 0.000 0.844 156 Q CB -0.058 28.577 28.738 -0.172 0.000 0.898 156 Q HN 0.461 nan 8.270 nan 0.000 0.426 157 Q N -0.610 119.203 119.800 0.021 0.000 2.050 157 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 157 Q C 1.898 177.917 176.000 0.032 0.000 0.980 157 Q CA 1.670 57.490 55.803 0.028 0.000 0.840 157 Q CB -0.279 28.494 28.738 0.058 0.000 0.898 157 Q HN 0.483 nan 8.270 nan 0.000 0.424 158 F N 0.776 120.700 119.950 -0.043 0.000 2.069 158 F HA -0.175 4.352 4.527 -0.000 0.000 0.298 158 F C 2.094 177.826 175.800 -0.113 0.000 1.113 158 F CA 1.754 59.697 58.000 -0.094 0.000 1.214 158 F CB -0.728 38.203 39.000 -0.114 0.000 0.978 158 F HN 0.163 nan 8.300 nan 0.000 0.474 159 A N -0.568 122.160 122.820 -0.153 0.000 1.908 159 A HA -0.176 4.143 4.320 -0.000 0.000 0.218 159 A C 2.349 179.864 177.584 -0.115 0.000 1.181 159 A CA 2.118 54.053 52.037 -0.170 0.000 0.627 159 A CB -1.293 17.736 19.000 0.049 0.000 0.818 159 A HN 0.459 nan 8.150 nan 0.000 0.445 160 S N -0.371 115.305 115.700 -0.041 0.000 2.383 160 S HA -0.115 4.355 4.470 -0.000 0.000 0.227 160 S C 1.878 176.483 174.600 0.009 0.000 1.026 160 S CA 1.151 59.438 58.200 0.144 0.000 0.981 160 S CB -0.248 63.095 63.200 0.238 0.000 0.818 160 S HN 0.585 nan 8.310 nan 0.000 0.472 161 E N 0.880 120.987 120.200 -0.156 0.000 2.077 161 E HA -0.078 4.272 4.350 -0.000 0.000 0.193 161 E C 2.262 178.697 176.600 -0.274 0.000 0.989 161 E CA 0.853 57.107 56.400 -0.245 0.000 0.800 161 E CB -0.360 29.199 29.700 -0.235 0.000 0.746 161 E HN 0.331 nan 8.360 nan 0.000 0.452 162 V N 1.318 121.015 119.914 -0.360 0.000 2.343 162 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 162 V C 2.167 178.318 176.094 0.095 0.000 1.051 162 V CA 1.662 63.833 62.300 -0.215 0.000 1.036 162 V CB -0.616 30.986 31.823 -0.369 0.000 0.654 162 V HN 0.163 nan 8.190 nan 0.000 0.451 163 F N 1.574 121.501 119.950 -0.038 0.000 2.126 163 F HA -0.205 4.322 4.527 -0.000 0.000 0.299 163 F C 2.452 178.217 175.800 -0.058 0.000 1.096 163 F CA 2.278 60.307 58.000 0.047 0.000 1.255 163 F CB -0.416 38.601 39.000 0.029 0.000 0.997 163 F HN 0.057 nan 8.300 nan 0.000 0.479 164 K N 0.375 120.498 120.400 -0.462 0.000 2.063 164 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 164 K C 2.184 178.483 176.600 -0.501 0.000 1.048 164 K CA 1.384 57.107 56.287 -0.940 0.000 0.928 164 K CB -0.497 31.226 32.500 -1.295 0.000 0.713 164 K HN 0.307 nan 8.250 nan 0.000 0.442 165 A N 0.969 123.659 122.820 -0.217 0.000 2.019 165 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 165 A C 2.033 179.668 177.584 0.085 0.000 1.164 165 A CA 1.465 53.521 52.037 0.033 0.000 0.644 165 A CB -0.434 18.715 19.000 0.249 0.000 0.805 165 A HN 0.389 nan 8.150 nan 0.000 0.449 166 M N -1.727 117.881 119.600 0.014 0.000 2.374 166 M HA -0.070 4.410 4.480 -0.000 0.000 0.264 166 M C 0.615 176.787 176.300 -0.214 0.000 1.067 166 M CA 0.832 56.077 55.300 -0.092 0.000 1.103 166 M CB -0.288 32.320 32.600 0.013 0.000 1.402 166 M HN 0.459 nan 8.290 nan 0.000 0.444 167 N N 1.398 119.853 118.700 -0.408 0.000 2.727 167 N HA -0.151 4.589 4.740 -0.000 0.000 0.251 167 N C -1.392 173.904 175.510 -0.356 0.000 1.040 167 N CA 0.471 53.191 53.050 -0.550 0.000 0.712 167 N CB -0.991 36.761 38.487 -1.225 0.000 0.912 167 N HN 0.343 nan 8.380 nan 0.000 0.545 168 I N 0.827 121.210 120.570 -0.312 0.000 2.412 168 I HA 0.468 4.638 4.170 -0.000 0.000 0.296 168 I C -1.751 174.316 176.117 -0.083 0.000 0.987 168 I CA -1.866 59.364 61.300 -0.118 0.000 1.180 168 I CB 1.805 39.803 38.000 -0.004 0.000 1.340 168 I HN 0.040 nan 8.210 nan 0.000 0.455 169 P HA 0.173 nan 4.420 nan 0.000 0.281 169 P C -1.437 175.864 177.300 0.002 0.000 1.264 169 P CA -0.667 62.427 63.100 -0.010 0.000 0.824 169 P CB 1.229 32.913 31.700 -0.026 0.000 1.092 170 Q N 1.036 120.809 119.800 -0.045 0.000 2.259 170 Q HA 0.506 4.846 4.340 -0.000 0.000 0.246 170 Q C -0.298 175.600 176.000 -0.169 0.000 0.920 170 Q CA -0.654 55.018 55.803 -0.218 0.000 0.895 170 Q CB 0.526 29.124 28.738 -0.233 0.000 1.220 170 Q HN 0.482 nan 8.270 nan 0.000 0.439 171 I N -1.008 119.443 120.570 -0.199 0.000 3.002 171 I HA 0.598 4.768 4.170 -0.000 0.000 0.310 171 I C -0.501 175.536 176.117 -0.133 0.000 1.087 171 I CA -1.438 59.785 61.300 -0.128 0.000 1.017 171 I CB 1.847 39.788 38.000 -0.099 0.000 1.226 171 I HN 0.581 nan 8.210 nan 0.000 0.443 172 R N 2.073 122.500 120.500 -0.121 0.000 2.734 172 R HA 0.143 4.482 4.340 -0.000 0.000 0.266 172 R C -0.380 175.794 176.300 -0.210 0.000 1.044 172 R CA -0.246 55.773 56.100 -0.134 0.000 1.128 172 R CB 0.316 30.543 30.300 -0.121 0.000 1.010 172 R HN 0.703 nan 8.270 nan 0.000 0.461 173 N N 4.775 123.321 118.700 -0.256 0.000 2.357 173 N HA -0.032 4.708 4.740 -0.000 0.000 0.257 173 N C -2.005 173.242 175.510 -0.438 0.000 1.250 173 N CA -0.940 51.809 53.050 -0.503 0.000 0.862 173 N CB 0.362 38.633 38.487 -0.360 0.000 1.066 173 N HN 0.448 nan 8.380 nan 0.000 0.468 174 P HA 0.003 nan 4.420 nan 0.000 0.217 174 P C 0.341 177.503 177.300 -0.230 0.000 1.151 174 P CA 0.880 63.794 63.100 -0.310 0.000 0.828 174 P CB 0.256 31.792 31.700 -0.273 0.000 0.788 175 C N -1.143 118.005 119.300 -0.253 0.000 2.546 175 C HA 0.132 4.592 4.460 -0.000 0.000 0.275 175 C C 1.149 176.053 174.990 -0.143 0.000 1.393 175 C CA -0.264 58.662 59.018 -0.153 0.000 1.703 175 C CB -2.043 25.631 27.740 -0.111 0.000 1.710 175 C HN 0.150 nan 8.230 nan 0.000 0.581 176 L N 1.374 122.491 121.223 -0.178 0.000 2.375 176 L HA 0.336 4.676 4.340 -0.000 0.000 0.271 176 L C -1.930 174.844 176.870 -0.160 0.000 1.107 176 L CA -1.446 53.286 54.840 -0.180 0.000 0.806 176 L CB 0.683 42.615 42.059 -0.210 0.000 1.146 176 L HN -0.070 nan 8.230 nan 0.000 0.447 177 P HA 0.045 nan 4.420 nan 0.000 0.271 177 P C -0.734 176.484 177.300 -0.137 0.000 1.233 177 P CA -0.433 62.586 63.100 -0.135 0.000 0.789 177 P CB 0.502 32.118 31.700 -0.141 0.000 0.951 178 S N 0.281 115.918 115.700 -0.105 0.000 2.566 178 S HA -0.061 4.409 4.470 -0.000 0.000 0.280 178 S C 1.350 175.887 174.600 -0.105 0.000 1.343 178 S CA -0.238 57.905 58.200 -0.095 0.000 1.036 178 S CB 0.333 63.491 63.200 -0.070 0.000 0.866 178 S HN 0.602 nan 8.310 nan 0.000 0.526 179 Q N 1.076 120.818 119.800 -0.096 0.000 2.133 179 Q HA -0.259 4.081 4.340 -0.000 0.000 0.208 179 Q C 1.756 177.710 176.000 -0.076 0.000 0.991 179 Q CA 2.311 58.058 55.803 -0.092 0.000 0.867 179 Q CB -0.275 28.423 28.738 -0.068 0.000 0.911 179 Q HN 0.936 nan 8.270 nan 0.000 0.417 180 E N -0.224 119.940 120.200 -0.059 0.000 2.274 180 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 180 E C 1.353 177.924 176.600 -0.047 0.000 0.996 180 E CA 0.769 57.142 56.400 -0.045 0.000 0.840 180 E CB 0.149 29.828 29.700 -0.035 0.000 0.772 180 E HN 0.293 nan 8.360 nan 0.000 0.491 181 K N -0.012 120.350 120.400 -0.063 0.000 2.404 181 K HA 0.127 4.447 4.320 -0.000 0.000 0.194 181 K C 0.200 176.752 176.600 -0.080 0.000 1.023 181 K CA -0.065 56.185 56.287 -0.061 0.000 1.094 181 K CB 0.354 32.816 32.500 -0.062 0.000 0.841 181 K HN 0.036 nan 8.250 nan 0.000 0.523 182 M N 1.861 121.396 119.600 -0.107 0.000 2.228 182 M HA 0.167 4.647 4.480 -0.000 0.000 0.351 182 M C -2.171 174.105 176.300 -0.041 0.000 1.233 182 M CA -2.405 52.803 55.300 -0.153 0.000 1.129 182 M CB -0.404 32.057 32.600 -0.233 0.000 1.604 182 M HN -0.184 nan 8.290 nan 0.000 0.457 183 P HA -0.005 nan 4.420 nan 0.000 0.268 183 P C 0.726 178.059 177.300 0.056 0.000 1.208 183 P CA -0.019 63.132 63.100 0.084 0.000 0.777 183 P CB 0.468 32.260 31.700 0.154 0.000 0.875 184 E N 2.142 122.336 120.200 -0.010 0.000 2.130 184 E HA -0.300 4.050 4.350 -0.000 0.000 0.196 184 E C 1.665 178.076 176.600 -0.315 0.000 0.998 184 E CA 1.578 57.944 56.400 -0.058 0.000 0.806 184 E CB -0.426 29.303 29.700 0.049 0.000 0.738 184 E HN 0.476 nan 8.360 nan 0.000 0.459 185 A N 0.196 122.633 122.820 -0.638 0.000 1.986 185 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 185 A C 1.702 178.832 177.584 -0.757 0.000 1.171 185 A CA 1.541 52.765 52.037 -1.355 0.000 0.640 185 A CB -0.966 17.415 19.000 -1.031 0.000 0.811 185 A HN 0.513 nan 8.150 nan 0.000 0.451 186 Y N 0.744 120.804 120.300 -0.399 0.000 2.616 186 Y HA -0.062 4.488 4.550 -0.000 0.000 0.296 186 Y C 2.508 178.334 175.900 -0.124 0.000 1.154 186 Y CA 1.017 58.875 58.100 -0.404 0.000 1.325 186 Y CB -0.071 38.095 38.460 -0.491 0.000 1.007 186 Y HN 0.456 nan 8.280 nan 0.000 0.542 187 S N -0.926 114.769 115.700 -0.009 0.000 2.556 187 S HA 0.393 4.863 4.470 -0.000 0.000 0.216 187 S C 0.978 175.622 174.600 0.073 0.000 0.970 187 S CA -0.232 57.995 58.200 0.045 0.000 0.912 187 S CB -0.329 62.884 63.200 0.022 0.000 0.790 187 S HN 0.201 nan 8.310 nan 0.000 0.504 188 A N 2.240 125.105 122.820 0.074 0.000 2.546 188 A HA 0.232 4.552 4.320 -0.000 0.000 0.243 188 A C 0.273 177.944 177.584 0.144 0.000 1.063 188 A CA -0.079 52.047 52.037 0.148 0.000 0.757 188 A CB -0.095 19.019 19.000 0.190 0.000 0.991 188 A HN 0.554 nan 8.150 nan 0.000 0.503 189 K N 2.102 122.552 120.400 0.082 0.000 2.383 189 K HA 0.316 4.636 4.320 -0.000 0.000 0.286 189 K C -0.736 175.999 176.600 0.226 0.000 1.051 189 K CA 0.651 56.953 56.287 0.025 0.000 0.974 189 K CB 0.338 32.634 32.500 -0.340 0.000 0.968 189 K HN 0.592 nan 8.250 nan 0.000 0.475 190 I N 2.313 123.064 120.570 0.302 0.000 2.474 190 I HA 0.385 4.555 4.170 -0.000 0.000 0.294 190 I C -0.309 176.080 176.117 0.452 0.000 1.005 190 I CA -0.799 60.710 61.300 0.348 0.000 1.113 190 I CB 1.970 40.060 38.000 0.150 0.000 1.289 190 I HN 0.585 nan 8.210 nan 0.000 0.436 191 A N 7.037 130.120 122.820 0.439 0.000 2.365 191 A HA 0.928 5.248 4.320 -0.000 0.000 0.318 191 A C -1.185 176.565 177.584 0.276 0.000 1.091 191 A CA -0.435 51.809 52.037 0.344 0.000 0.763 191 A CB 1.193 20.269 19.000 0.126 0.000 1.248 191 A HN 0.578 nan 8.150 nan 0.000 0.442 192 L N 2.199 123.584 121.223 0.269 0.000 2.408 192 L HA 0.516 4.856 4.340 -0.000 0.000 0.268 192 L C -0.900 176.129 176.870 0.265 0.000 0.986 192 L CA -0.364 54.642 54.840 0.277 0.000 0.820 192 L CB 1.955 44.159 42.059 0.243 0.000 1.303 192 L HN 0.466 nan 8.230 nan 0.000 0.411 193 L N 2.792 124.138 121.223 0.206 0.000 2.287 193 L HA 0.798 5.138 4.340 -0.000 0.000 0.287 193 L C 0.445 177.388 176.870 0.122 0.000 1.022 193 L CA -0.205 54.725 54.840 0.150 0.000 0.814 193 L CB 0.627 42.719 42.059 0.054 0.000 1.217 193 L HN 0.774 nan 8.230 nan 0.000 0.420 194 G N 3.009 111.878 108.800 0.114 0.000 3.190 194 G HA2 0.083 4.043 3.960 -0.000 0.000 0.686 194 G HA3 0.083 4.043 3.960 -0.000 0.000 0.686 194 G C -0.110 174.850 174.900 0.099 0.000 1.033 194 G CA -0.328 44.824 45.100 0.086 0.000 0.797 194 G HN 0.986 nan 8.290 nan 0.000 0.567 195 A N 1.925 124.785 122.820 0.068 0.000 3.282 195 A HA 0.771 5.091 4.320 -0.000 0.000 0.287 195 A C 1.264 178.895 177.584 0.079 0.000 1.366 195 A CA 1.080 53.156 52.037 0.065 0.000 1.069 195 A CB -0.259 18.765 19.000 0.039 0.000 1.109 195 A HN 2.101 nan 8.150 nan 0.000 0.638 196 G N -0.365 108.493 108.800 0.096 0.000 2.753 196 G HA2 0.510 4.470 3.960 -0.000 0.000 0.285 196 G HA3 0.510 4.470 3.960 -0.000 0.000 0.285 196 G C -1.633 173.320 174.900 0.090 0.000 1.344 196 G CA -1.486 43.671 45.100 0.095 0.000 1.050 196 G HN 0.086 nan 8.290 nan 0.000 0.532 197 P HA -0.188 nan 4.420 nan 0.000 0.216 197 P C 2.140 179.490 177.300 0.083 0.000 1.157 197 P CA 2.554 65.692 63.100 0.064 0.000 0.880 197 P CB 0.133 31.866 31.700 0.055 0.000 0.791 198 A N -0.917 121.984 122.820 0.135 0.000 1.865 198 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 198 A C 2.396 180.057 177.584 0.129 0.000 1.191 198 A CA 2.481 54.640 52.037 0.203 0.000 0.623 198 A CB -1.556 17.663 19.000 0.364 0.000 0.826 198 A HN 0.142 nan 8.150 nan 0.000 0.444 199 S N -0.373 115.457 115.700 0.217 0.000 2.383 199 S HA -0.049 4.421 4.470 -0.000 0.000 0.227 199 S C 1.804 176.399 174.600 -0.009 0.000 1.026 199 S CA 1.272 59.536 58.200 0.107 0.000 0.981 199 S CB -0.476 62.860 63.200 0.227 0.000 0.818 199 S HN 0.509 nan 8.310 nan 0.000 0.472 200 I N 0.996 121.580 120.570 0.023 0.000 2.226 200 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 200 I C 2.686 178.791 176.117 -0.021 0.000 1.100 200 I CA 1.159 62.458 61.300 -0.001 0.000 1.374 200 I CB -0.398 37.607 38.000 0.008 0.000 1.057 200 I HN 0.299 nan 8.210 nan 0.000 0.413 201 S N -0.152 115.547 115.700 -0.001 0.000 2.348 201 S HA -0.258 4.212 4.470 -0.000 0.000 0.221 201 S C 2.328 176.983 174.600 0.092 0.000 1.033 201 S CA 1.738 59.974 58.200 0.059 0.000 1.010 201 S CB -0.591 62.679 63.200 0.117 0.000 0.891 201 S HN 0.619 nan 8.310 nan 0.000 0.442 202 C N 1.597 120.837 119.300 -0.100 0.000 2.413 202 C HA 0.038 4.498 4.460 -0.000 0.000 0.277 202 C C 3.028 177.959 174.990 -0.098 0.000 1.228 202 C CA 1.278 60.160 59.018 -0.226 0.000 1.731 202 C CB -1.784 25.452 27.740 -0.840 0.000 2.042 202 C HN 0.690 nan 8.230 nan 0.000 0.468 203 A N -0.231 122.529 122.820 -0.100 0.000 1.940 203 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 203 A C 2.356 179.932 177.584 -0.014 0.000 1.176 203 A CA 2.405 54.418 52.037 -0.040 0.000 0.631 203 A CB -0.976 18.008 19.000 -0.026 0.000 0.814 203 A HN 0.658 nan 8.150 nan 0.000 0.446 204 S N -0.798 114.874 115.700 -0.046 0.000 2.348 204 S HA -0.120 4.350 4.470 -0.000 0.000 0.221 204 S C 1.611 176.133 174.600 -0.130 0.000 1.033 204 S CA 1.609 59.739 58.200 -0.116 0.000 1.010 204 S CB -0.541 62.525 63.200 -0.223 0.000 0.891 204 S HN 0.546 nan 8.310 nan 0.000 0.442 205 F N 1.571 121.532 119.950 0.019 0.000 2.171 205 F HA 0.025 4.552 4.527 -0.000 0.000 0.300 205 F C 2.008 177.842 175.800 0.056 0.000 1.090 205 F CA 0.665 58.691 58.000 0.042 0.000 1.293 205 F CB -0.555 38.462 39.000 0.028 0.000 1.013 205 F HN 0.121 nan 8.300 nan 0.000 0.486 206 L N -0.739 120.597 121.223 0.188 0.000 2.056 206 L HA -0.198 4.142 4.340 -0.000 0.000 0.207 206 L C 2.708 179.734 176.870 0.260 0.000 1.078 206 L CA 1.119 56.065 54.840 0.178 0.000 0.749 206 L CB -1.007 41.061 42.059 0.015 0.000 0.901 206 L HN 0.132 nan 8.230 nan 0.000 0.433 207 A N 0.159 123.065 122.820 0.144 0.000 1.933 207 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 207 A C 2.367 179.995 177.584 0.073 0.000 1.175 207 A CA 1.397 53.498 52.037 0.106 0.000 0.628 207 A CB -0.452 18.571 19.000 0.038 0.000 0.814 207 A HN 0.329 nan 8.150 nan 0.000 0.444 208 R N -0.615 119.925 120.500 0.067 0.000 2.096 208 R HA -0.024 4.316 4.340 -0.000 0.000 0.235 208 R C 1.808 178.142 176.300 0.056 0.000 1.127 208 R CA 1.331 57.465 56.100 0.056 0.000 0.968 208 R CB -0.511 29.846 30.300 0.096 0.000 0.861 208 R HN 0.491 nan 8.270 nan 0.000 0.440 209 L N -0.540 120.750 121.223 0.111 0.000 2.456 209 L HA -0.021 4.319 4.340 -0.000 0.000 0.224 209 L C 1.355 178.185 176.870 -0.066 0.000 1.148 209 L CA 0.986 55.858 54.840 0.054 0.000 0.825 209 L CB -0.029 42.087 42.059 0.095 0.000 0.937 209 L HN 0.579 nan 8.230 nan 0.000 0.450 210 G N -2.308 106.459 108.800 -0.056 0.000 2.192 210 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.193 210 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.193 210 G C -0.035 174.796 174.900 -0.115 0.000 0.999 210 G CA -0.675 44.293 45.100 -0.220 0.000 0.659 210 G HN 0.153 nan 8.290 nan 0.000 0.503 211 Y N 2.012 122.422 120.300 0.183 0.000 2.526 211 Y HA 0.340 4.889 4.550 -0.000 0.000 0.330 211 Y C 1.830 177.776 175.900 0.077 0.000 1.156 211 Y CA 0.881 59.081 58.100 0.167 0.000 1.419 211 Y CB 1.251 39.782 38.460 0.119 0.000 1.250 211 Y HN 0.260 nan 8.280 nan 0.000 0.540 212 S N -0.583 115.217 115.700 0.167 0.000 2.539 212 S HA 0.087 4.556 4.470 -0.000 0.000 0.221 212 S C 0.024 174.679 174.600 0.092 0.000 0.987 212 S CA -0.203 58.052 58.200 0.091 0.000 0.929 212 S CB 0.267 63.491 63.200 0.040 0.000 0.832 212 S HN 0.660 nan 8.310 nan 0.000 0.492 213 D N 1.456 121.934 120.400 0.131 0.000 2.443 213 D HA 0.423 5.063 4.640 -0.000 0.000 0.281 213 D C -1.183 175.195 176.300 0.130 0.000 1.210 213 D CA -0.277 53.786 54.000 0.105 0.000 0.875 213 D CB 0.261 41.112 40.800 0.085 0.000 1.125 213 D HN 0.341 nan 8.370 nan 0.000 0.503 214 I N 1.312 121.945 120.570 0.106 0.000 2.406 214 I HA 0.333 4.503 4.170 -0.000 0.000 0.290 214 I C -0.084 176.061 176.117 0.046 0.000 0.999 214 I CA -0.421 60.938 61.300 0.098 0.000 1.124 214 I CB 2.239 40.285 38.000 0.075 0.000 1.289 214 I HN -0.062 nan 8.210 nan 0.000 0.441 215 T N 6.692 121.270 114.554 0.039 0.000 2.881 215 T HA 0.579 4.929 4.350 -0.000 0.000 0.290 215 T C -0.284 174.259 174.700 -0.262 0.000 1.000 215 T CA -0.389 61.615 62.100 -0.161 0.000 0.978 215 T CB 1.576 70.278 68.868 -0.277 0.000 0.997 215 T HN 0.260 nan 8.240 nan 0.000 0.443 216 I N 3.303 123.699 120.570 -0.290 0.000 2.321 216 I HA 0.409 4.579 4.170 -0.000 0.000 0.291 216 I C -0.876 175.053 176.117 -0.314 0.000 0.998 216 I CA -0.727 60.470 61.300 -0.172 0.000 1.227 216 I CB 0.905 38.874 38.000 -0.051 0.000 1.368 216 I HN 0.535 nan 8.210 nan 0.000 0.466 217 F N 4.633 124.599 119.950 0.026 0.000 2.385 217 F HA 0.352 4.879 4.527 -0.000 0.000 0.360 217 F C 0.405 176.204 175.800 -0.002 0.000 1.122 217 F CA -0.645 57.358 58.000 0.006 0.000 1.090 217 F CB 1.061 40.052 39.000 -0.015 0.000 1.150 217 F HN 0.387 nan 8.300 nan 0.000 0.472 218 E N 3.303 123.574 120.200 0.118 0.000 2.171 218 E HA 0.241 4.591 4.350 -0.000 0.000 0.271 218 E C 0.687 177.293 176.600 0.010 0.000 0.916 218 E CA -0.593 55.830 56.400 0.039 0.000 0.774 218 E CB 1.559 31.249 29.700 -0.018 0.000 1.128 218 E HN 0.530 nan 8.360 nan 0.000 0.403 219 K N 2.975 123.362 120.400 -0.021 0.000 2.026 219 K HA -0.078 4.242 4.320 -0.000 0.000 0.208 219 K C 0.380 176.919 176.600 -0.101 0.000 1.048 219 K CA 0.989 57.252 56.287 -0.041 0.000 0.929 219 K CB 0.156 32.634 32.500 -0.037 0.000 0.713 219 K HN 0.554 nan 8.250 nan 0.000 0.439 220 Q N 0.527 120.194 119.800 -0.222 0.000 2.414 220 Q HA 0.021 4.361 4.340 -0.000 0.000 0.206 220 Q C 0.681 176.503 176.000 -0.297 0.000 1.058 220 Q CA 0.397 55.976 55.803 -0.373 0.000 1.025 220 Q CB 0.696 28.870 28.738 -0.940 0.000 1.196 220 Q HN 0.287 nan 8.270 nan 0.000 0.586 221 E N -0.061 119.985 120.200 -0.257 0.000 2.479 221 E HA 0.021 4.371 4.350 -0.000 0.000 0.193 221 E C -0.396 176.188 176.600 -0.026 0.000 1.049 221 E CA 0.066 56.416 56.400 -0.083 0.000 0.870 221 E CB 0.250 29.954 29.700 0.006 0.000 0.944 221 E HN 0.404 nan 8.360 nan 0.000 0.492 222 Y N -1.002 119.298 120.300 -0.000 0.000 2.549 222 Y HA 0.581 5.131 4.550 -0.000 0.000 0.339 222 Y C -0.180 175.740 175.900 0.035 0.000 1.053 222 Y CA -1.900 56.202 58.100 0.002 0.000 1.105 222 Y CB 0.563 38.991 38.460 -0.053 0.000 1.258 222 Y HN -0.253 nan 8.280 nan 0.000 0.478 223 V N -1.539 118.545 119.914 0.284 0.000 3.019 223 V HA 0.973 5.093 4.120 -0.000 0.000 0.317 223 V C 0.508 176.763 176.094 0.269 0.000 1.094 223 V CA -0.427 61.990 62.300 0.194 0.000 1.000 223 V CB 0.930 32.820 31.823 0.111 0.000 1.060 223 V HN 1.774 nan 8.190 nan 0.000 0.443 224 G N -0.536 108.370 108.800 0.177 0.000 2.211 224 G HA2 0.272 4.232 3.960 -0.000 0.000 0.201 224 G HA3 0.272 4.232 3.960 -0.000 0.000 0.201 224 G C 1.497 176.485 174.900 0.147 0.000 0.997 224 G CA 0.506 45.697 45.100 0.151 0.000 0.652 224 G HN 2.817 nan 8.290 nan 0.000 0.500 225 G N 0.091 109.002 108.800 0.186 0.000 2.566 225 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.280 225 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.280 225 G C 1.157 176.147 174.900 0.151 0.000 1.225 225 G CA 0.652 45.849 45.100 0.162 0.000 0.966 225 G HN 1.201 nan 8.290 nan 0.000 0.560 226 L N 0.685 121.965 121.223 0.095 0.000 2.131 226 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 226 L C 3.204 180.090 176.870 0.027 0.000 1.092 226 L CA 1.942 56.816 54.840 0.055 0.000 0.759 226 L CB -0.572 41.513 42.059 0.043 0.000 0.903 226 L HN 0.553 nan 8.230 nan 0.000 0.435 227 S N -0.989 114.735 115.700 0.040 0.000 2.400 227 S HA -0.174 4.296 4.470 -0.000 0.000 0.232 227 S C 1.928 176.543 174.600 0.024 0.000 1.025 227 S CA 1.842 60.057 58.200 0.025 0.000 0.993 227 S CB -0.221 63.000 63.200 0.036 0.000 0.808 227 S HN 0.486 nan 8.310 nan 0.000 0.478 228 T N 1.361 115.942 114.554 0.045 0.000 2.988 228 T HA 0.016 4.366 4.350 -0.000 0.000 0.240 228 T C 2.332 176.908 174.700 -0.206 0.000 1.014 228 T CA 1.087 63.188 62.100 0.002 0.000 1.155 228 T CB -0.293 68.636 68.868 0.101 0.000 0.872 228 T HN 0.590 nan 8.240 nan 0.000 0.440 229 S N 1.249 116.834 115.700 -0.191 0.000 2.428 229 S HA 0.065 4.535 4.470 -0.000 0.000 0.230 229 S C 1.604 176.094 174.600 -0.183 0.000 1.014 229 S CA 0.808 58.846 58.200 -0.270 0.000 0.957 229 S CB -0.114 63.049 63.200 -0.062 0.000 0.784 229 S HN 0.543 nan 8.310 nan 0.000 0.499 230 E N -0.060 120.070 120.200 -0.117 0.000 2.441 230 E HA 0.354 4.704 4.350 -0.000 0.000 0.207 230 E C -0.156 176.372 176.600 -0.120 0.000 0.803 230 E CA -0.251 56.084 56.400 -0.109 0.000 1.240 230 E CB 0.339 30.011 29.700 -0.047 0.000 1.233 230 E HN 0.407 nan 8.360 nan 0.000 0.590 231 I N 4.799 125.311 120.570 -0.097 0.000 2.662 231 I HA 0.017 4.187 4.170 -0.000 0.000 0.285 231 I C -2.270 173.722 176.117 -0.208 0.000 1.161 231 I CA -1.622 59.610 61.300 -0.113 0.000 1.415 231 I CB 0.010 37.970 38.000 -0.067 0.000 1.385 231 I HN -0.198 nan 8.210 nan 0.000 0.552 232 P HA -0.070 nan 4.420 nan 0.000 0.266 232 P C 0.235 177.230 177.300 -0.509 0.000 1.195 232 P CA -0.052 62.667 63.100 -0.635 0.000 0.768 232 P CB 0.570 31.411 31.700 -1.432 0.000 0.838 233 Q N 3.252 122.837 119.800 -0.358 0.000 2.181 233 Q HA -0.176 4.164 4.340 -0.000 0.000 0.205 233 Q C 1.207 177.216 176.000 0.015 0.000 0.980 233 Q CA 1.938 57.664 55.803 -0.128 0.000 0.862 233 Q CB -0.918 27.748 28.738 -0.119 0.000 0.905 233 Q HN 0.582 nan 8.270 nan 0.000 0.429 234 F N -1.983 118.088 119.950 0.202 0.000 2.802 234 F HA 0.289 4.816 4.527 -0.000 0.000 0.300 234 F C 1.497 177.352 175.800 0.091 0.000 1.168 234 F CA 0.178 58.264 58.000 0.144 0.000 1.433 234 F CB -0.075 38.991 39.000 0.109 0.000 1.115 234 F HN -0.031 nan 8.300 nan 0.000 0.582 235 R N -0.240 120.301 120.500 0.068 0.000 2.350 235 R HA 0.351 4.691 4.340 -0.000 0.000 0.199 235 R C -0.577 175.743 176.300 0.033 0.000 0.876 235 R CA -0.063 56.089 56.100 0.086 0.000 1.062 235 R CB 0.398 30.722 30.300 0.040 0.000 1.263 235 R HN 0.230 nan 8.270 nan 0.000 0.641 236 L N 2.570 123.781 121.223 -0.020 0.000 2.485 236 L HA 0.474 4.814 4.340 -0.000 0.000 0.260 236 L C -2.878 173.990 176.870 -0.003 0.000 0.998 236 L CA -2.181 52.655 54.840 -0.007 0.000 0.883 236 L CB 1.691 43.739 42.059 -0.018 0.000 1.196 236 L HN -0.190 nan 8.230 nan 0.000 0.443 237 P HA 0.001 nan 4.420 nan 0.000 0.265 237 P C -0.059 177.259 177.300 0.030 0.000 1.193 237 P CA 0.176 63.293 63.100 0.028 0.000 0.765 237 P CB 0.292 32.008 31.700 0.026 0.000 0.823 238 Y N 4.558 124.814 120.300 -0.073 0.000 2.256 238 Y HA -0.266 4.284 4.550 -0.000 0.000 0.288 238 Y C 1.845 177.727 175.900 -0.029 0.000 1.155 238 Y CA 2.145 60.200 58.100 -0.075 0.000 1.203 238 Y CB -0.518 37.866 38.460 -0.127 0.000 0.980 238 Y HN 0.403 nan 8.280 nan 0.000 0.530 239 D N -0.976 119.338 120.400 -0.143 0.000 2.263 239 D HA -0.153 4.487 4.640 -0.000 0.000 0.208 239 D C 2.014 178.234 176.300 -0.133 0.000 0.971 239 D CA 1.319 55.215 54.000 -0.173 0.000 0.867 239 D CB -0.829 39.937 40.800 -0.056 0.000 0.929 239 D HN 0.356 nan 8.370 nan 0.000 0.492 240 V N 0.623 120.486 119.914 -0.085 0.000 2.379 240 V HA -0.197 3.922 4.120 -0.000 0.000 0.245 240 V C 2.897 179.011 176.094 0.034 0.000 1.044 240 V CA 1.137 63.453 62.300 0.028 0.000 1.036 240 V CB -0.210 31.632 31.823 0.032 0.000 0.664 240 V HN 0.115 nan 8.190 nan 0.000 0.453 241 V N 0.692 120.532 119.914 -0.125 0.000 2.295 241 V HA -0.310 3.810 4.120 -0.000 0.000 0.246 241 V C 2.313 178.293 176.094 -0.189 0.000 1.049 241 V CA 2.482 64.695 62.300 -0.146 0.000 1.024 241 V CB -0.977 30.739 31.823 -0.178 0.000 0.648 241 V HN 0.695 nan 8.190 nan 0.000 0.447 242 N N -0.281 118.197 118.700 -0.369 0.000 2.104 242 N HA -0.235 4.505 4.740 -0.000 0.000 0.190 242 N C 2.037 177.507 175.510 -0.068 0.000 1.024 242 N CA 1.783 54.680 53.050 -0.254 0.000 0.853 242 N CB -0.154 38.137 38.487 -0.326 0.000 1.008 242 N HN 0.475 nan 8.380 nan 0.000 0.424 243 F N 2.166 122.024 119.950 -0.154 0.000 2.095 243 F HA -0.119 4.408 4.527 -0.000 0.000 0.298 243 F C 2.082 177.858 175.800 -0.040 0.000 1.104 243 F CA 1.580 59.521 58.000 -0.098 0.000 1.232 243 F CB -0.510 38.438 39.000 -0.087 0.000 0.987 243 F HN 0.076 nan 8.300 nan 0.000 0.475 244 E N 0.357 120.383 120.200 -0.291 0.000 2.150 244 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 244 E C 2.396 178.876 176.600 -0.200 0.000 0.985 244 E CA 1.445 57.651 56.400 -0.324 0.000 0.814 244 E CB -0.211 29.449 29.700 -0.067 0.000 0.752 244 E HN 0.506 nan 8.360 nan 0.000 0.466 245 I N 1.229 121.721 120.570 -0.130 0.000 2.353 245 I HA -0.189 3.981 4.170 -0.000 0.000 0.248 245 I C 2.224 178.287 176.117 -0.089 0.000 1.119 245 I CA 0.767 62.018 61.300 -0.082 0.000 1.417 245 I CB -0.102 37.871 38.000 -0.046 0.000 1.078 245 I HN 0.024 nan 8.210 nan 0.000 0.421 246 E N 0.872 121.007 120.200 -0.109 0.000 2.150 246 E HA -0.146 4.203 4.350 -0.000 0.000 0.193 246 E C 2.355 178.888 176.600 -0.112 0.000 0.985 246 E CA 0.996 57.343 56.400 -0.088 0.000 0.814 246 E CB -0.205 29.457 29.700 -0.065 0.000 0.752 246 E HN 0.500 nan 8.360 nan 0.000 0.466 247 L N 0.376 121.483 121.223 -0.193 0.000 2.046 247 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 247 L C 2.707 179.540 176.870 -0.062 0.000 1.077 247 L CA 1.096 55.850 54.840 -0.143 0.000 0.747 247 L CB -0.352 41.574 42.059 -0.223 0.000 0.896 247 L HN 0.184 nan 8.230 nan 0.000 0.432 248 M N -0.073 119.486 119.600 -0.068 0.000 2.117 248 M HA -0.237 4.243 4.480 -0.000 0.000 0.262 248 M C 2.144 178.420 176.300 -0.040 0.000 1.065 248 M CA 1.787 57.060 55.300 -0.044 0.000 1.114 248 M CB -0.050 32.522 32.600 -0.047 0.000 1.361 248 M HN 0.058 nan 8.290 nan 0.000 0.408 249 K N 0.137 120.511 120.400 -0.044 0.000 2.280 249 K HA -0.145 4.174 4.320 -0.000 0.000 0.202 249 K C 1.245 177.825 176.600 -0.033 0.000 1.047 249 K CA 1.208 57.475 56.287 -0.034 0.000 0.942 249 K CB -0.199 32.282 32.500 -0.031 0.000 0.739 249 K HN 0.417 nan 8.250 nan 0.000 0.457 250 D N 0.907 121.283 120.400 -0.042 0.000 2.263 250 D HA -0.114 4.526 4.640 -0.000 0.000 0.208 250 D C 1.371 177.645 176.300 -0.043 0.000 0.971 250 D CA 0.941 54.916 54.000 -0.043 0.000 0.867 250 D CB 0.100 40.869 40.800 -0.052 0.000 0.929 250 D HN 0.209 nan 8.370 nan 0.000 0.492 251 L N -0.939 120.260 121.223 -0.039 0.000 2.592 251 L HA 0.213 4.553 4.340 -0.000 0.000 0.227 251 L C 1.506 178.365 176.870 -0.019 0.000 1.127 251 L CA 0.308 55.127 54.840 -0.035 0.000 0.884 251 L CB 0.117 42.157 42.059 -0.032 0.000 1.065 251 L HN 0.091 nan 8.230 nan 0.000 0.457 252 G N -0.192 108.597 108.800 -0.017 0.000 2.176 252 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.232 252 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.232 252 G C 0.298 175.197 174.900 -0.001 0.000 0.986 252 G CA -0.074 45.022 45.100 -0.007 0.000 0.643 252 G HN 0.071 nan 8.290 nan 0.000 0.522 253 V N 1.461 121.372 119.914 -0.005 0.000 2.599 253 V HA 0.300 4.419 4.120 -0.000 0.000 0.300 253 V C 0.857 176.938 176.094 -0.022 0.000 1.034 253 V CA 0.571 62.866 62.300 -0.007 0.000 1.115 253 V CB 1.084 32.899 31.823 -0.013 0.000 0.934 253 V HN 0.372 nan 8.190 nan 0.000 0.485 254 K N 5.396 125.776 120.400 -0.034 0.000 2.123 254 K HA 0.714 5.034 4.320 -0.000 0.000 0.259 254 K C -0.874 175.665 176.600 -0.101 0.000 0.960 254 K CA -0.495 55.758 56.287 -0.056 0.000 0.872 254 K CB 1.863 34.331 32.500 -0.054 0.000 1.079 254 K HN 0.501 nan 8.250 nan 0.000 0.440 255 I N 3.624 124.140 120.570 -0.090 0.000 2.466 255 I HA 0.370 4.540 4.170 -0.000 0.000 0.289 255 I C -0.713 175.344 176.117 -0.101 0.000 1.026 255 I CA -0.725 60.512 61.300 -0.106 0.000 1.078 255 I CB 1.603 39.574 38.000 -0.049 0.000 1.249 255 I HN 0.411 nan 8.210 nan 0.000 0.429 256 I N 5.350 125.833 120.570 -0.146 0.000 2.411 256 I HA 0.337 4.507 4.170 -0.000 0.000 0.284 256 I C -0.255 175.871 176.117 0.016 0.000 1.012 256 I CA -0.348 60.919 61.300 -0.056 0.000 1.119 256 I CB 1.485 39.451 38.000 -0.055 0.000 1.261 256 I HN 0.564 nan 8.210 nan 0.000 0.448 257 C N 3.606 122.918 119.300 0.020 0.000 2.422 257 C HA 0.613 5.073 4.460 -0.000 0.000 0.364 257 C C 1.510 176.520 174.990 0.034 0.000 1.251 257 C CA 0.506 59.532 59.018 0.014 0.000 2.441 257 C CB 0.737 28.471 27.740 -0.010 0.000 2.393 257 C HN 1.094 nan 8.230 nan 0.000 0.606 258 G N 1.533 110.339 108.800 0.010 0.000 2.143 258 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.248 258 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.248 258 G C -0.355 174.571 174.900 0.043 0.000 0.991 258 G CA 0.008 45.119 45.100 0.018 0.000 0.689 258 G HN 0.586 nan 8.290 nan 0.000 0.522 259 K N 0.766 121.210 120.400 0.073 0.000 2.413 259 K HA 0.654 4.974 4.320 -0.000 0.000 0.257 259 K C -0.418 176.215 176.600 0.055 0.000 0.946 259 K CA -0.388 55.953 56.287 0.091 0.000 0.823 259 K CB 1.804 34.448 32.500 0.239 0.000 1.109 259 K HN 0.151 nan 8.250 nan 0.000 0.427 260 S N 1.858 117.561 115.700 0.004 0.000 2.537 260 S HA 0.399 4.869 4.470 -0.000 0.000 0.301 260 S C -0.578 173.998 174.600 -0.040 0.000 1.092 260 S CA -0.823 57.372 58.200 -0.008 0.000 1.048 260 S CB 1.525 64.720 63.200 -0.008 0.000 1.053 260 S HN 0.478 nan 8.310 nan 0.000 0.501 261 L N 3.130 124.334 121.223 -0.032 0.000 2.342 261 L HA 0.654 4.994 4.340 -0.000 0.000 0.285 261 L C -0.171 176.682 176.870 -0.028 0.000 1.095 261 L CA 0.866 55.677 54.840 -0.048 0.000 0.843 261 L CB -0.080 41.958 42.059 -0.034 0.000 1.201 261 L HN 0.615 nan 8.230 nan 0.000 0.445 262 S N 2.468 118.148 115.700 -0.033 0.000 2.565 262 S HA 0.254 4.724 4.470 -0.000 0.000 0.274 262 S C 0.455 175.042 174.600 -0.022 0.000 1.144 262 S CA -0.275 57.913 58.200 -0.020 0.000 0.849 262 S CB 1.320 64.511 63.200 -0.014 0.000 1.103 262 S HN 0.729 nan 8.310 nan 0.000 0.455 263 E N 2.480 122.671 120.200 -0.015 0.000 2.095 263 E HA -0.207 4.142 4.350 -0.000 0.000 0.212 263 E C 0.860 177.451 176.600 -0.014 0.000 1.044 263 E CA 2.405 58.797 56.400 -0.014 0.000 0.857 263 E CB -0.117 29.576 29.700 -0.013 0.000 0.764 263 E HN 0.589 nan 8.360 nan 0.000 0.462 264 N N 0.197 118.889 118.700 -0.013 0.000 2.314 264 N HA 0.064 4.804 4.740 -0.000 0.000 0.200 264 N C 0.125 175.624 175.510 -0.017 0.000 1.135 264 N CA 0.238 53.281 53.050 -0.012 0.000 0.835 264 N CB 0.564 39.047 38.487 -0.007 0.000 0.989 264 N HN 0.361 nan 8.380 nan 0.000 0.478 265 E N -0.156 120.028 120.200 -0.027 0.000 4.168 265 E HA 0.393 4.743 4.350 -0.000 0.000 0.270 265 E C -0.132 176.426 176.600 -0.069 0.000 0.941 265 E CA -0.650 55.725 56.400 -0.042 0.000 1.248 265 E CB 0.793 30.469 29.700 -0.039 0.000 2.362 265 E HN -0.057 nan 8.360 nan 0.000 0.486 266 I N 2.301 122.807 120.570 -0.107 0.000 2.395 266 I HA 0.182 4.352 4.170 -0.000 0.000 0.289 266 I C 0.081 176.135 176.117 -0.105 0.000 1.023 266 I CA -0.091 61.111 61.300 -0.163 0.000 1.350 266 I CB 1.072 38.891 38.000 -0.303 0.000 1.409 266 I HN 0.432 nan 8.210 nan 0.000 0.507 267 T N 2.591 117.100 114.554 -0.075 0.000 2.865 267 T HA 0.471 4.821 4.350 -0.000 0.000 0.294 267 T C 0.844 175.556 174.700 0.019 0.000 1.119 267 T CA -0.901 61.184 62.100 -0.024 0.000 1.007 267 T CB 1.395 70.264 68.868 0.002 0.000 1.225 267 T HN 0.400 nan 8.240 nan 0.000 0.515 268 L N 0.753 122.013 121.223 0.062 0.000 2.131 268 L HA -0.078 4.262 4.340 -0.000 0.000 0.210 268 L C 2.520 179.579 176.870 0.316 0.000 1.092 268 L CA 1.113 56.069 54.840 0.194 0.000 0.759 268 L CB -0.631 41.498 42.059 0.117 0.000 0.903 268 L HN 0.652 nan 8.230 nan 0.000 0.435 269 N N -0.309 118.496 118.700 0.175 0.000 2.142 269 N HA -0.142 4.598 4.740 -0.000 0.000 0.186 269 N C 2.008 177.571 175.510 0.088 0.000 1.023 269 N CA 2.033 55.161 53.050 0.131 0.000 0.852 269 N CB -0.477 38.057 38.487 0.079 0.000 0.998 269 N HN 0.446 nan 8.380 nan 0.000 0.424 270 T N -0.506 114.084 114.554 0.061 0.000 2.821 270 T HA 0.017 4.367 4.350 -0.000 0.000 0.267 270 T C 2.219 176.959 174.700 0.068 0.000 1.046 270 T CA 0.603 62.725 62.100 0.038 0.000 1.139 270 T CB -0.543 68.322 68.868 -0.004 0.000 0.871 270 T HN 0.057 nan 8.240 nan 0.000 0.454 271 L N 0.719 121.990 121.223 0.080 0.000 2.017 271 L HA -0.024 4.315 4.340 -0.000 0.000 0.208 271 L C 3.031 180.045 176.870 0.239 0.000 1.073 271 L CA 1.785 56.705 54.840 0.134 0.000 0.745 271 L CB -0.525 41.598 42.059 0.107 0.000 0.894 271 L HN 0.273 nan 8.230 nan 0.000 0.432 272 K N 0.365 120.824 120.400 0.098 0.000 2.057 272 K HA -0.219 4.101 4.320 -0.000 0.000 0.207 272 K C 1.975 178.535 176.600 -0.066 0.000 1.049 272 K CA 1.529 57.702 56.287 -0.190 0.000 0.931 272 K CB 0.013 32.313 32.500 -0.332 0.000 0.714 272 K HN 0.275 nan 8.250 nan 0.000 0.440 273 E N 0.286 120.490 120.200 0.006 0.000 2.110 273 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 273 E C 1.395 178.019 176.600 0.040 0.000 0.988 273 E CA 1.180 57.587 56.400 0.012 0.000 0.804 273 E CB 0.114 29.830 29.700 0.025 0.000 0.745 273 E HN 0.409 nan 8.360 nan 0.000 0.458 274 E N -0.890 119.377 120.200 0.112 0.000 2.511 274 E HA -0.001 4.349 4.350 -0.000 0.000 0.196 274 E C 0.888 177.525 176.600 0.061 0.000 1.066 274 E CA 0.306 56.792 56.400 0.143 0.000 0.871 274 E CB 0.413 30.296 29.700 0.305 0.000 0.863 274 E HN 0.391 nan 8.360 nan 0.000 0.520 275 G N 0.728 109.548 108.800 0.033 0.000 2.175 275 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.244 275 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.244 275 G C -0.200 174.656 174.900 -0.073 0.000 0.982 275 G CA -0.342 44.726 45.100 -0.053 0.000 0.641 275 G HN 0.227 nan 8.290 nan 0.000 0.527 276 Y N 0.951 121.280 120.300 0.049 0.000 2.511 276 Y HA 0.379 4.929 4.550 -0.000 0.000 0.332 276 Y C 1.767 177.728 175.900 0.102 0.000 1.177 276 Y CA 0.307 58.489 58.100 0.136 0.000 1.422 276 Y CB 0.800 39.404 38.460 0.240 0.000 1.271 276 Y HN -0.072 nan 8.280 nan 0.000 0.550 277 K N 1.939 122.518 120.400 0.298 0.000 2.356 277 K HA 0.389 4.709 4.320 -0.000 0.000 0.195 277 K C 0.079 177.016 176.600 0.561 0.000 1.037 277 K CA 0.488 56.958 56.287 0.305 0.000 1.014 277 K CB 0.387 33.056 32.500 0.281 0.000 0.815 277 K HN 0.595 nan 8.250 nan 0.000 0.507 278 A N 0.280 123.475 122.820 0.626 0.000 2.604 278 A HA 0.748 5.068 4.320 -0.000 0.000 0.295 278 A C -1.669 176.226 177.584 0.518 0.000 1.067 278 A CA -0.428 51.999 52.037 0.649 0.000 0.683 278 A CB 1.637 20.886 19.000 0.416 0.000 1.281 278 A HN 0.049 nan 8.150 nan 0.000 0.407 279 A N 0.444 123.456 122.820 0.319 0.000 2.449 279 A HA 0.795 5.115 4.320 -0.000 0.000 0.302 279 A C -1.530 176.155 177.584 0.168 0.000 1.048 279 A CA -0.383 51.756 52.037 0.169 0.000 0.708 279 A CB 1.044 20.018 19.000 -0.044 0.000 1.274 279 A HN 1.790 nan 8.150 nan 0.000 0.410 280 F N 3.643 123.621 119.950 0.045 0.000 2.449 280 F HA 0.635 5.162 4.527 -0.000 0.000 0.342 280 F C -0.858 174.955 175.800 0.021 0.000 1.127 280 F CA -1.162 56.867 58.000 0.048 0.000 0.975 280 F CB 1.116 40.143 39.000 0.044 0.000 1.146 280 F HN 0.372 nan 8.300 nan 0.000 0.444 281 I N 5.835 125.998 120.570 -0.679 0.000 2.301 281 I HA 0.309 4.479 4.170 -0.000 0.000 0.292 281 I C 0.787 176.498 176.117 -0.677 0.000 1.046 281 I CA -0.357 60.644 61.300 -0.498 0.000 1.282 281 I CB 0.417 38.191 38.000 -0.376 0.000 1.409 281 I HN 0.863 nan 8.210 nan 0.000 0.484 282 G N 6.344 114.987 108.800 -0.261 0.000 4.864 282 G HA2 0.314 4.274 3.960 -0.000 0.000 0.280 282 G HA3 0.314 4.274 3.960 -0.000 0.000 0.280 282 G C 0.785 175.702 174.900 0.028 0.000 1.239 282 G CA -0.185 44.886 45.100 -0.048 0.000 0.951 282 G HN 0.700 nan 8.290 nan 0.000 0.583 283 I N -2.035 118.523 120.570 -0.020 0.000 3.684 283 I HA 0.416 4.586 4.170 -0.000 0.000 0.304 283 I C 1.249 177.378 176.117 0.020 0.000 1.278 283 I CA 0.246 61.553 61.300 0.011 0.000 1.272 283 I CB -0.221 37.779 38.000 0.001 0.000 1.029 283 I HN 0.280 nan 8.210 nan 0.000 0.458 284 G N 2.752 111.562 108.800 0.016 0.000 2.578 284 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.275 284 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.275 284 G C -0.325 174.590 174.900 0.026 0.000 1.271 284 G CA 0.245 45.361 45.100 0.026 0.000 0.941 284 G HN 0.385 nan 8.290 nan 0.000 0.564 285 L N 1.433 122.678 121.223 0.036 0.000 2.356 285 L HA 0.331 4.671 4.340 -0.000 0.000 0.264 285 L C -1.588 175.310 176.870 0.047 0.000 1.029 285 L CA -1.611 53.254 54.840 0.042 0.000 0.897 285 L CB 2.105 44.189 42.059 0.042 0.000 1.256 285 L HN 0.301 nan 8.230 nan 0.000 0.444 286 P HA -0.097 nan 4.420 nan 0.000 0.220 286 P C -0.149 177.181 177.300 0.051 0.000 1.148 286 P CA 1.155 64.284 63.100 0.047 0.000 0.803 286 P CB 0.378 32.102 31.700 0.040 0.000 0.782 287 E N -0.264 119.968 120.200 0.054 0.000 2.221 287 E HA 0.342 4.692 4.350 -0.000 0.000 0.268 287 E C -2.507 174.133 176.600 0.067 0.000 0.933 287 E CA -2.778 53.658 56.400 0.059 0.000 0.809 287 E CB 1.077 30.812 29.700 0.059 0.000 1.190 287 E HN 0.053 nan 8.360 nan 0.000 0.406 288 P HA 0.050 nan 4.420 nan 0.000 0.278 288 P C -1.053 176.315 177.300 0.112 0.000 1.238 288 P CA -0.394 62.756 63.100 0.083 0.000 0.794 288 P CB 0.847 32.590 31.700 0.071 0.000 0.955 289 K N 2.194 122.678 120.400 0.141 0.000 2.349 289 K HA 0.207 4.527 4.320 -0.000 0.000 0.288 289 K C 0.330 177.082 176.600 0.253 0.000 1.058 289 K CA -0.158 56.239 56.287 0.183 0.000 0.953 289 K CB 0.178 32.805 32.500 0.212 0.000 0.997 289 K HN 0.520 nan 8.250 nan 0.000 0.477 290 T N 0.410 115.100 114.554 0.227 0.000 2.897 290 T HA 0.321 4.671 4.350 -0.000 0.000 0.278 290 T C -0.476 174.403 174.700 0.298 0.000 0.981 290 T CA -0.912 61.351 62.100 0.271 0.000 0.973 290 T CB 1.525 70.506 68.868 0.187 0.000 1.092 290 T HN 0.529 nan 8.240 nan 0.000 0.543 291 D N -0.917 119.658 120.400 0.292 0.000 2.934 291 D HA 0.239 4.879 4.640 -0.000 0.000 0.230 291 D C 0.224 176.485 176.300 -0.066 0.000 1.204 291 D CA -0.495 53.574 54.000 0.115 0.000 0.873 291 D CB 2.268 43.145 40.800 0.129 0.000 1.645 291 D HN 0.469 nan 8.370 nan 0.000 0.502 292 D N 2.129 122.468 120.400 -0.102 0.000 2.158 292 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 292 D C 1.901 178.073 176.300 -0.214 0.000 0.995 292 D CA 1.150 55.077 54.000 -0.122 0.000 0.846 292 D CB 0.080 40.819 40.800 -0.100 0.000 0.941 292 D HN 0.685 nan 8.370 nan 0.000 0.456 293 I N -2.772 117.567 120.570 -0.385 0.000 2.916 293 I HA -0.148 4.022 4.170 -0.000 0.000 0.267 293 I C 1.038 176.874 176.117 -0.469 0.000 1.263 293 I CA 0.949 61.971 61.300 -0.464 0.000 1.471 293 I CB -0.370 37.276 38.000 -0.591 0.000 1.089 293 I HN -0.234 nan 8.210 nan 0.000 0.468 294 F N 1.325 121.118 119.950 -0.261 0.000 2.695 294 F HA 0.301 4.828 4.527 -0.000 0.000 0.303 294 F C 1.348 176.900 175.800 -0.413 0.000 1.091 294 F CA -0.977 56.699 58.000 -0.539 0.000 1.300 294 F CB -0.894 37.605 39.000 -0.834 0.000 1.071 294 F HN 0.160 nan 8.300 nan 0.000 0.578 295 Q N 0.652 120.397 119.800 -0.092 0.000 2.283 295 Q HA 0.281 4.621 4.340 -0.000 0.000 0.301 295 Q C 1.427 177.386 176.000 -0.069 0.000 1.063 295 Q CA 1.306 57.073 55.803 -0.060 0.000 0.952 295 Q CB 0.295 29.003 28.738 -0.051 0.000 1.166 295 Q HN 0.632 nan 8.270 nan 0.000 0.381 296 G N 3.209 111.983 108.800 -0.042 0.000 2.234 296 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.260 296 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.260 296 G C 0.075 174.948 174.900 -0.044 0.000 0.987 296 G CA 0.228 45.306 45.100 -0.036 0.000 0.625 296 G HN 0.580 nan 8.290 nan 0.000 0.532 297 L N 2.104 123.272 121.223 -0.091 0.000 2.453 297 L HA 0.497 4.837 4.340 -0.000 0.000 0.272 297 L C 1.364 178.250 176.870 0.026 0.000 1.182 297 L CA 0.546 55.336 54.840 -0.083 0.000 0.858 297 L CB 0.843 42.738 42.059 -0.274 0.000 1.120 297 L HN 0.467 nan 8.230 nan 0.000 0.474 298 T N -1.216 113.346 114.554 0.015 0.000 2.949 298 T HA 0.264 4.614 4.350 -0.000 0.000 0.287 298 T C 0.568 175.208 174.700 -0.100 0.000 1.034 298 T CA -0.793 61.299 62.100 -0.015 0.000 1.018 298 T CB 1.627 70.477 68.868 -0.030 0.000 1.135 298 T HN 0.595 nan 8.240 nan 0.000 0.532 299 Q N -0.139 119.528 119.800 -0.221 0.000 2.167 299 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 299 Q C 1.490 177.336 176.000 -0.257 0.000 0.970 299 Q CA 1.462 56.974 55.803 -0.484 0.000 0.855 299 Q CB -0.071 28.379 28.738 -0.479 0.000 0.911 299 Q HN 0.659 nan 8.270 nan 0.000 0.438 300 D N 0.572 120.902 120.400 -0.117 0.000 2.178 300 D HA -0.147 4.493 4.640 -0.000 0.000 0.201 300 D C 1.566 177.847 176.300 -0.032 0.000 0.980 300 D CA 1.110 55.081 54.000 -0.048 0.000 0.842 300 D CB 0.047 40.833 40.800 -0.024 0.000 0.948 300 D HN 0.364 nan 8.370 nan 0.000 0.472 301 Q N -0.805 118.972 119.800 -0.039 0.000 2.378 301 Q HA 0.151 4.491 4.340 -0.000 0.000 0.205 301 Q C 1.182 177.180 176.000 -0.002 0.000 0.954 301 Q CA 0.811 56.607 55.803 -0.013 0.000 0.901 301 Q CB 0.648 29.381 28.738 -0.008 0.000 0.981 301 Q HN 0.315 nan 8.270 nan 0.000 0.483 302 G N 0.318 109.095 108.800 -0.038 0.000 2.183 302 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.168 302 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.168 302 G C -0.529 174.371 174.900 -0.001 0.000 1.008 302 G CA -0.532 44.571 45.100 0.005 0.000 0.677 302 G HN 0.265 nan 8.290 nan 0.000 0.498 303 F N 1.686 121.474 119.950 -0.271 0.000 2.421 303 F HA 0.819 5.346 4.527 -0.000 0.000 0.337 303 F C -0.490 175.060 175.800 -0.416 0.000 1.105 303 F CA -1.387 56.448 58.000 -0.275 0.000 1.049 303 F CB 0.936 39.781 39.000 -0.258 0.000 1.139 303 F HN 0.051 nan 8.300 nan 0.000 0.479 304 Y N 1.615 121.100 120.300 -1.358 0.000 2.562 304 Y HA 0.457 5.007 4.550 -0.000 0.000 0.345 304 Y C 0.039 175.203 175.900 -1.226 0.000 1.045 304 Y CA -1.116 56.405 58.100 -0.965 0.000 1.028 304 Y CB 1.917 40.101 38.460 -0.461 0.000 1.297 304 Y HN 0.672 nan 8.280 nan 0.000 0.463 305 T N -2.880 111.382 114.554 -0.486 0.000 2.944 305 T HA 0.303 4.653 4.350 -0.000 0.000 0.284 305 T C 1.070 175.682 174.700 -0.145 0.000 1.010 305 T CA -0.107 61.790 62.100 -0.338 0.000 1.025 305 T CB 1.438 70.240 68.868 -0.110 0.000 1.079 305 T HN 0.733 nan 8.240 nan 0.000 0.516 306 S N 0.516 116.153 115.700 -0.106 0.000 2.419 306 S HA -0.118 4.352 4.470 -0.000 0.000 0.235 306 S C 1.680 176.299 174.600 0.031 0.000 1.019 306 S CA 0.412 58.608 58.200 -0.007 0.000 0.982 306 S CB -0.533 62.663 63.200 -0.007 0.000 0.789 306 S HN 0.652 nan 8.310 nan 0.000 0.490 307 K N 1.165 121.576 120.400 0.019 0.000 2.365 307 K HA 0.024 4.344 4.320 -0.000 0.000 0.199 307 K C 1.075 177.703 176.600 0.047 0.000 1.045 307 K CA 0.984 57.291 56.287 0.034 0.000 0.962 307 K CB -0.238 32.286 32.500 0.041 0.000 0.759 307 K HN 0.585 nan 8.250 nan 0.000 0.469 308 D N -0.476 119.966 120.400 0.070 0.000 2.269 308 D HA -0.063 4.577 4.640 -0.000 0.000 0.220 308 D C 1.732 178.133 176.300 0.168 0.000 0.962 308 D CA 0.375 54.449 54.000 0.124 0.000 0.884 308 D CB -0.226 40.668 40.800 0.157 0.000 1.023 308 D HN 0.020 nan 8.370 nan 0.000 0.484 309 F N 2.389 122.325 119.950 -0.023 0.000 2.039 309 F HA -0.081 4.446 4.527 -0.000 0.000 0.294 309 F C 2.281 177.993 175.800 -0.148 0.000 1.130 309 F CA 1.172 59.058 58.000 -0.191 0.000 1.189 309 F CB -0.633 38.143 39.000 -0.373 0.000 0.983 309 F HN -0.193 nan 8.300 nan 0.000 0.471 310 L N 0.138 121.226 121.223 -0.226 0.000 2.043 310 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 310 L C -0.482 176.203 176.870 -0.308 0.000 1.075 310 L CA 1.576 56.215 54.840 -0.337 0.000 0.752 310 L CB -2.130 39.852 42.059 -0.129 0.000 0.891 310 L HN 0.158 nan 8.230 nan 0.000 0.432 311 P HA -0.151 nan 4.420 nan 0.000 0.218 311 P C 1.928 179.092 177.300 -0.226 0.000 1.149 311 P CA 1.200 64.183 63.100 -0.195 0.000 0.817 311 P CB 0.117 31.765 31.700 -0.087 0.000 0.785 312 L N -1.279 119.819 121.223 -0.209 0.000 2.017 312 L HA -0.143 4.196 4.340 -0.000 0.000 0.208 312 L C 2.259 178.975 176.870 -0.258 0.000 1.073 312 L CA 1.398 56.132 54.840 -0.177 0.000 0.745 312 L CB -1.015 40.981 42.059 -0.105 0.000 0.894 312 L HN -0.120 nan 8.230 nan 0.000 0.432 313 V N -0.108 119.563 119.914 -0.405 0.000 2.427 313 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 313 V C 2.716 178.596 176.094 -0.356 0.000 1.051 313 V CA 1.657 63.744 62.300 -0.355 0.000 1.048 313 V CB -0.907 30.652 31.823 -0.439 0.000 0.666 313 V HN 0.461 nan 8.190 nan 0.000 0.456 314 A N 0.080 122.673 122.820 -0.377 0.000 1.877 314 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 314 A C 2.290 179.575 177.584 -0.498 0.000 1.186 314 A CA 1.939 53.723 52.037 -0.421 0.000 0.620 314 A CB -0.451 18.315 19.000 -0.390 0.000 0.822 314 A HN 0.534 nan 8.150 nan 0.000 0.443 315 K N -0.182 119.947 120.400 -0.452 0.000 2.147 315 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 315 K C 2.216 178.330 176.600 -0.809 0.000 1.049 315 K CA 1.454 57.431 56.287 -0.516 0.000 0.936 315 K CB -0.155 32.183 32.500 -0.271 0.000 0.722 315 K HN 0.398 nan 8.250 nan 0.000 0.446 316 S N 0.313 115.697 115.700 -0.526 0.000 2.425 316 S HA -0.054 4.416 4.470 -0.000 0.000 0.225 316 S C 1.892 176.196 174.600 -0.493 0.000 1.024 316 S CA 1.250 59.211 58.200 -0.399 0.000 0.951 316 S CB 0.123 63.266 63.200 -0.096 0.000 0.796 316 S HN 0.417 nan 8.310 nan 0.000 0.498 317 S N 0.336 115.656 115.700 -0.634 0.000 2.517 317 S HA 0.273 4.743 4.470 -0.000 0.000 0.214 317 S C 0.290 174.535 174.600 -0.591 0.000 0.991 317 S CA -0.285 57.426 58.200 -0.815 0.000 0.906 317 S CB -0.007 62.177 63.200 -1.693 0.000 0.789 317 S HN 0.184 nan 8.310 nan 0.000 0.513 318 K N 2.555 122.622 120.400 -0.554 0.000 2.354 318 K HA 0.579 4.899 4.320 -0.000 0.000 0.257 318 K C -0.653 175.653 176.600 -0.489 0.000 1.062 318 K CA -0.319 55.693 56.287 -0.457 0.000 0.971 318 K CB 1.339 33.530 32.500 -0.516 0.000 1.305 318 K HN 0.322 nan 8.250 nan 0.000 0.449 319 A N 1.753 124.394 122.820 -0.298 0.000 2.522 319 A HA 0.409 4.729 4.320 -0.000 0.000 0.256 319 A C 1.268 178.685 177.584 -0.279 0.000 1.086 319 A CA 0.945 52.825 52.037 -0.260 0.000 0.763 319 A CB -0.403 18.557 19.000 -0.067 0.000 1.024 319 A HN 0.978 nan 8.150 nan 0.000 0.502 320 G N 1.691 110.193 108.800 -0.497 0.000 2.179 320 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.220 320 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.220 320 G C 0.824 175.425 174.900 -0.498 0.000 0.990 320 G CA 0.625 45.508 45.100 -0.362 0.000 0.646 320 G HN 0.858 nan 8.290 nan 0.000 0.517 321 M N -0.392 118.730 119.600 -0.797 0.000 2.276 321 M HA 0.378 4.858 4.480 -0.000 0.000 0.262 321 M C 0.797 176.841 176.300 -0.427 0.000 1.098 321 M CA 1.571 56.369 55.300 -0.837 0.000 1.167 321 M CB 0.455 32.453 32.600 -1.003 0.000 1.337 321 M HN 0.552 nan 8.290 nan 0.000 0.446 322 C N 1.322 120.383 119.300 -0.398 0.000 2.789 322 C HA 0.649 5.109 4.460 -0.000 0.000 0.324 322 C C 1.482 176.439 174.990 -0.055 0.000 1.042 322 C CA -0.596 58.321 59.018 -0.167 0.000 1.396 322 C CB -0.089 27.576 27.740 -0.124 0.000 1.870 322 C HN 0.681 nan 8.230 nan 0.000 0.470 323 A N 2.898 125.665 122.820 -0.087 0.000 1.884 323 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 323 A C 1.343 179.047 177.584 0.200 0.000 1.197 323 A CA 2.144 54.197 52.037 0.027 0.000 0.637 323 A CB -0.603 18.529 19.000 0.220 0.000 0.827 323 A HN 1.042 nan 8.150 nan 0.000 0.450 324 C N 2.354 121.730 119.300 0.126 0.000 2.206 324 C HA 0.615 5.075 4.460 -0.000 0.000 0.324 324 C C -0.459 174.553 174.990 0.038 0.000 1.120 324 C CA -0.805 58.235 59.018 0.037 0.000 1.546 324 C CB -1.419 26.343 27.740 0.037 0.000 2.023 324 C HN 0.604 nan 8.230 nan 0.000 0.448 325 H N 2.630 121.691 119.070 -0.015 0.000 2.637 325 H HA 0.513 5.069 4.556 -0.000 0.000 0.363 325 H C -0.220 175.096 175.328 -0.020 0.000 1.131 325 H CA -0.616 55.408 56.048 -0.039 0.000 1.183 325 H CB 1.133 30.839 29.762 -0.093 0.000 1.637 325 H HN 0.426 nan 8.280 nan 0.000 0.531 326 S N 2.143 117.867 115.700 0.040 0.000 2.580 326 S HA 0.139 4.609 4.470 -0.000 0.000 0.266 326 S C -1.971 172.658 174.600 0.048 0.000 1.354 326 S CA -0.591 57.618 58.200 0.015 0.000 1.008 326 S CB 0.118 63.342 63.200 0.041 0.000 0.898 326 S HN 0.558 nan 8.310 nan 0.000 0.555 327 P HA 0.050 nan 4.420 nan 0.000 0.270 327 P C -0.558 176.788 177.300 0.077 0.000 1.227 327 P CA -0.507 62.626 63.100 0.055 0.000 0.788 327 P CB 0.304 32.029 31.700 0.043 0.000 0.926 328 L N 4.012 125.286 121.223 0.084 0.000 2.559 328 L HA 0.111 4.451 4.340 -0.000 0.000 0.274 328 L C -2.044 174.875 176.870 0.082 0.000 1.205 328 L CA -1.156 53.733 54.840 0.080 0.000 0.907 328 L CB -1.039 41.091 42.059 0.118 0.000 1.153 328 L HN 0.323 nan 8.230 nan 0.000 0.490 329 P HA -0.073 nan 4.420 nan 0.000 0.261 329 P C -0.806 176.569 177.300 0.125 0.000 1.165 329 P CA 0.317 63.487 63.100 0.117 0.000 0.759 329 P CB 0.370 32.142 31.700 0.121 0.000 0.772 330 S N 4.247 120.023 115.700 0.128 0.000 2.681 330 S HA 0.283 4.753 4.470 -0.000 0.000 0.313 330 S C -0.079 174.588 174.600 0.111 0.000 1.137 330 S CA -0.555 57.707 58.200 0.104 0.000 1.045 330 S CB -1.119 62.134 63.200 0.088 0.000 1.208 330 S HN 0.208 nan 8.310 nan 0.000 0.523 331 I N 5.948 126.575 120.570 0.094 0.000 2.359 331 I HA 0.447 4.617 4.170 -0.000 0.000 0.284 331 I C 0.211 176.356 176.117 0.046 0.000 1.018 331 I CA -0.486 60.855 61.300 0.067 0.000 1.173 331 I CB 1.155 39.178 38.000 0.037 0.000 1.326 331 I HN 0.426 nan 8.210 nan 0.000 0.462 332 R N 3.717 124.244 120.500 0.046 0.000 2.686 332 R HA 0.787 5.127 4.340 -0.000 0.000 0.283 332 R C 0.070 176.392 176.300 0.038 0.000 0.978 332 R CA -0.462 55.661 56.100 0.038 0.000 0.897 332 R CB 2.426 32.750 30.300 0.040 0.000 1.192 332 R HN 0.844 nan 8.270 nan 0.000 0.457 333 G N 0.945 109.766 108.800 0.035 0.000 2.472 333 G HA2 0.029 3.989 3.960 -0.000 0.000 0.205 333 G HA3 0.029 3.989 3.960 -0.000 0.000 0.205 333 G C -1.205 173.725 174.900 0.050 0.000 1.270 333 G CA -0.477 44.651 45.100 0.047 0.000 0.974 333 G HN 0.768 nan 8.290 nan 0.000 0.542 334 A N -0.872 121.999 122.820 0.085 0.000 2.331 334 A HA 0.719 5.039 4.320 -0.000 0.000 0.283 334 A C 0.149 177.799 177.584 0.109 0.000 1.142 334 A CA 0.192 52.312 52.037 0.138 0.000 0.812 334 A CB 1.129 20.287 19.000 0.265 0.000 1.074 334 A HN 1.810 nan 8.150 nan 0.000 0.497 335 V N 3.869 123.836 119.914 0.089 0.000 2.495 335 V HA 0.392 4.512 4.120 -0.000 0.000 0.298 335 V C -0.229 175.916 176.094 0.086 0.000 1.031 335 V CA -0.259 62.053 62.300 0.020 0.000 0.871 335 V CB 1.558 33.324 31.823 -0.094 0.000 0.988 335 V HN 0.749 nan 8.190 nan 0.000 0.432 336 I N 4.693 125.290 120.570 0.045 0.000 2.355 336 I HA 0.435 4.605 4.170 -0.000 0.000 0.288 336 I C -0.666 175.428 176.117 -0.037 0.000 0.999 336 I CA -0.668 60.674 61.300 0.071 0.000 1.163 336 I CB 1.917 39.988 38.000 0.118 0.000 1.316 336 I HN 0.273 nan 8.210 nan 0.000 0.454 337 V N 7.644 127.517 119.914 -0.069 0.000 2.398 337 V HA 0.398 4.518 4.120 -0.000 0.000 0.286 337 V C 0.037 176.093 176.094 -0.063 0.000 1.026 337 V CA -0.552 61.665 62.300 -0.138 0.000 0.868 337 V CB 1.703 33.405 31.823 -0.202 0.000 0.982 337 V HN 0.468 nan 8.190 nan 0.000 0.443 338 L N 5.159 126.367 121.223 -0.026 0.000 2.272 338 L HA 0.928 5.267 4.340 -0.000 0.000 0.289 338 L C 0.647 177.649 176.870 0.220 0.000 1.032 338 L CA -0.015 54.923 54.840 0.164 0.000 0.810 338 L CB 1.194 43.442 42.059 0.316 0.000 1.205 338 L HN 0.909 nan 8.230 nan 0.000 0.422 339 G N 2.287 111.227 108.800 0.233 0.000 2.357 339 G HA2 0.287 4.247 3.960 -0.000 0.000 0.643 339 G HA3 0.287 4.247 3.960 -0.000 0.000 0.643 339 G C -0.685 174.232 174.900 0.028 0.000 1.358 339 G CA -0.186 45.029 45.100 0.191 0.000 0.986 339 G HN 0.775 nan 8.290 nan 0.000 0.620 340 A N -0.442 122.377 122.820 -0.001 0.000 2.592 340 A HA 0.792 5.112 4.320 -0.000 0.000 0.290 340 A C 0.997 178.678 177.584 0.161 0.000 0.998 340 A CA 1.286 53.296 52.037 -0.044 0.000 0.983 340 A CB -0.012 18.869 19.000 -0.198 0.000 1.240 340 A HN 2.173 nan 8.150 nan 0.000 0.535 341 G N -0.917 107.958 108.800 0.124 0.000 2.568 341 G HA2 0.418 4.378 3.960 -0.000 0.000 0.293 341 G HA3 0.418 4.378 3.960 -0.000 0.000 0.293 341 G C 0.090 175.165 174.900 0.290 0.000 1.347 341 G CA -0.030 45.172 45.100 0.170 0.000 1.039 341 G HN 0.014 nan 8.290 nan 0.000 0.523 342 D N -0.413 120.110 120.400 0.204 0.000 2.133 342 D HA -0.121 4.519 4.640 -0.000 0.000 0.195 342 D C 2.658 179.084 176.300 0.210 0.000 0.997 342 D CA 1.928 56.055 54.000 0.212 0.000 0.840 342 D CB -0.444 40.419 40.800 0.106 0.000 0.947 342 D HN 0.324 nan 8.370 nan 0.000 0.452 343 T N 0.600 115.231 114.554 0.128 0.000 2.720 343 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 343 T C 2.033 176.763 174.700 0.051 0.000 1.037 343 T CA 1.658 63.807 62.100 0.083 0.000 1.144 343 T CB -0.424 68.478 68.868 0.056 0.000 0.864 343 T HN 0.236 nan 8.240 nan 0.000 0.444 344 A N 1.088 123.902 122.820 -0.011 0.000 1.883 344 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 344 A C 1.983 179.406 177.584 -0.268 0.000 1.186 344 A CA 1.553 53.474 52.037 -0.193 0.000 0.624 344 A CB -1.066 17.724 19.000 -0.350 0.000 0.822 344 A HN 0.502 nan 8.150 nan 0.000 0.444 345 F N 0.277 120.248 119.950 0.035 0.000 2.234 345 F HA -0.099 4.428 4.527 -0.000 0.000 0.299 345 F C 2.007 177.858 175.800 0.086 0.000 1.087 345 F CA 1.346 59.375 58.000 0.048 0.000 1.340 345 F CB -0.255 38.785 39.000 0.068 0.000 1.031 345 F HN 0.180 nan 8.300 nan 0.000 0.500 346 D N -0.719 119.821 120.400 0.234 0.000 2.224 346 D HA -0.099 4.541 4.640 -0.000 0.000 0.205 346 D C 2.291 178.718 176.300 0.211 0.000 0.965 346 D CA 0.869 54.999 54.000 0.217 0.000 0.852 346 D CB -0.461 40.416 40.800 0.128 0.000 0.947 346 D HN 0.252 nan 8.370 nan 0.000 0.494 347 C N 0.922 120.311 119.300 0.148 0.000 2.446 347 C HA 0.026 4.486 4.460 -0.000 0.000 0.277 347 C C 2.873 177.935 174.990 0.119 0.000 1.275 347 C CA 0.702 59.833 59.018 0.189 0.000 1.727 347 C CB -0.833 26.916 27.740 0.015 0.000 2.010 347 C HN 0.350 nan 8.230 nan 0.000 0.486 348 A N 1.351 124.180 122.820 0.015 0.000 1.858 348 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 348 A C 2.300 179.907 177.584 0.038 0.000 1.190 348 A CA 2.765 54.780 52.037 -0.037 0.000 0.617 348 A CB -1.289 17.645 19.000 -0.110 0.000 0.827 348 A HN 0.665 nan 8.150 nan 0.000 0.443 349 T N -2.751 111.875 114.554 0.120 0.000 2.821 349 T HA -0.091 4.259 4.350 -0.000 0.000 0.267 349 T C 1.985 176.769 174.700 0.139 0.000 1.046 349 T CA 1.751 63.900 62.100 0.082 0.000 1.139 349 T CB -0.564 68.376 68.868 0.119 0.000 0.871 349 T HN 0.273 nan 8.240 nan 0.000 0.454 350 S N 1.869 117.781 115.700 0.354 0.000 2.383 350 S HA 0.165 4.634 4.470 -0.000 0.000 0.227 350 S C 2.622 177.406 174.600 0.306 0.000 1.026 350 S CA 0.798 59.226 58.200 0.381 0.000 0.981 350 S CB -0.760 62.621 63.200 0.301 0.000 0.818 350 S HN 0.756 nan 8.310 nan 0.000 0.472 351 A N 1.687 124.689 122.820 0.302 0.000 1.940 351 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 351 A C 2.067 179.693 177.584 0.070 0.000 1.176 351 A CA 1.148 53.298 52.037 0.188 0.000 0.631 351 A CB -0.746 18.223 19.000 -0.052 0.000 0.814 351 A HN 0.465 nan 8.150 nan 0.000 0.446 352 L N -1.504 119.722 121.223 0.006 0.000 2.083 352 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 352 L C 2.712 179.537 176.870 -0.075 0.000 1.083 352 L CA 1.340 56.147 54.840 -0.054 0.000 0.752 352 L CB -0.387 41.611 42.059 -0.102 0.000 0.899 352 L HN 0.225 nan 8.230 nan 0.000 0.433 353 R N -0.851 119.590 120.500 -0.099 0.000 2.189 353 R HA -0.063 4.277 4.340 -0.000 0.000 0.223 353 R C 2.020 178.307 176.300 -0.022 0.000 1.092 353 R CA 0.888 56.876 56.100 -0.186 0.000 0.989 353 R CB -0.830 29.215 30.300 -0.426 0.000 0.876 353 R HN 0.339 nan 8.270 nan 0.000 0.457 354 C N -1.154 118.183 119.300 0.061 0.000 2.626 354 C HA 0.379 4.839 4.460 -0.000 0.000 0.266 354 C C 1.468 176.496 174.990 0.063 0.000 1.317 354 C CA 0.502 59.580 59.018 0.100 0.000 1.716 354 C CB -0.673 27.166 27.740 0.165 0.000 1.819 354 C HN 0.722 nan 8.230 nan 0.000 0.578 355 G N 0.202 109.018 108.800 0.027 0.000 2.163 355 G HA2 0.011 3.971 3.960 -0.000 0.000 0.213 355 G HA3 0.011 3.971 3.960 -0.000 0.000 0.213 355 G C 0.163 175.069 174.900 0.010 0.000 0.991 355 G CA 0.040 45.151 45.100 0.017 0.000 0.653 355 G HN 0.865 nan 8.290 nan 0.000 0.518 356 A N 0.237 123.058 122.820 0.002 0.000 2.565 356 A HA 0.541 4.861 4.320 -0.000 0.000 0.237 356 A C 1.422 178.995 177.584 -0.018 0.000 1.053 356 A CA 1.431 53.460 52.037 -0.012 0.000 0.755 356 A CB 0.148 19.126 19.000 -0.036 0.000 0.980 356 A HN 0.834 nan 8.150 nan 0.000 0.506 357 R N 1.295 121.790 120.500 -0.008 0.000 2.093 357 R HA 0.056 4.396 4.340 -0.000 0.000 0.224 357 R C 0.810 177.088 176.300 -0.036 0.000 1.101 357 R CA 1.291 57.388 56.100 -0.005 0.000 0.979 357 R CB 0.103 30.415 30.300 0.019 0.000 0.877 357 R HN 0.782 nan 8.270 nan 0.000 0.441 358 R N -0.344 120.117 120.500 -0.067 0.000 2.643 358 R HA 0.343 4.683 4.340 -0.000 0.000 0.269 358 R C -2.017 174.144 176.300 -0.232 0.000 1.037 358 R CA -0.691 55.302 56.100 -0.179 0.000 0.894 358 R CB 2.399 32.578 30.300 -0.203 0.000 1.238 358 R HN 0.001 nan 8.270 nan 0.000 0.459 359 V N 3.945 123.638 119.914 -0.369 0.000 2.531 359 V HA 0.560 4.680 4.120 -0.000 0.000 0.301 359 V C -1.131 174.677 176.094 -0.478 0.000 1.034 359 V CA -0.644 61.472 62.300 -0.306 0.000 0.865 359 V CB 1.671 33.373 31.823 -0.201 0.000 0.995 359 V HN 0.550 nan 8.190 nan 0.000 0.424 360 F N 4.400 124.268 119.950 -0.137 0.000 2.444 360 F HA 0.618 5.145 4.527 -0.000 0.000 0.342 360 F C -0.057 175.598 175.800 -0.242 0.000 1.121 360 F CA -0.588 57.310 58.000 -0.171 0.000 0.997 360 F CB 1.638 40.559 39.000 -0.131 0.000 1.130 360 F HN 0.209 nan 8.300 nan 0.000 0.454 361 L N 4.751 125.857 121.223 -0.195 0.000 2.262 361 L HA 0.561 4.901 4.340 -0.000 0.000 0.288 361 L C -0.866 175.853 176.870 -0.252 0.000 1.035 361 L CA -0.670 53.999 54.840 -0.285 0.000 0.820 361 L CB 1.091 42.803 42.059 -0.578 0.000 1.204 361 L HN 0.332 nan 8.230 nan 0.000 0.424 362 V N 4.328 124.117 119.914 -0.208 0.000 2.409 362 V HA 0.487 4.607 4.120 -0.000 0.000 0.291 362 V C -0.339 175.623 176.094 -0.220 0.000 1.020 362 V CA -0.605 61.460 62.300 -0.391 0.000 0.848 362 V CB 1.012 32.638 31.823 -0.328 0.000 0.990 362 V HN 0.460 nan 8.190 nan 0.000 0.430 363 F N 2.266 122.121 119.950 -0.160 0.000 2.561 363 F HA 0.690 5.217 4.527 -0.000 0.000 0.321 363 F C 1.093 176.774 175.800 -0.197 0.000 1.065 363 F CA -1.463 56.436 58.000 -0.169 0.000 0.934 363 F CB 1.476 40.334 39.000 -0.236 0.000 1.215 363 F HN 0.461 nan 8.300 nan 0.000 0.471 364 R N 0.245 120.733 120.500 -0.020 0.000 2.299 364 R HA 0.300 4.640 4.340 -0.000 0.000 0.197 364 R C -0.209 175.924 176.300 -0.278 0.000 0.971 364 R CA 0.403 56.436 56.100 -0.111 0.000 1.030 364 R CB -0.034 30.186 30.300 -0.132 0.000 0.932 364 R HN 0.643 nan 8.270 nan 0.000 0.477 365 K N 0.085 120.252 120.400 -0.388 0.000 2.270 365 K HA 0.460 4.780 4.320 -0.000 0.000 0.248 365 K C 0.076 176.234 176.600 -0.737 0.000 1.076 365 K CA -0.667 55.173 56.287 -0.746 0.000 0.957 365 K CB 1.077 33.047 32.500 -0.883 0.000 1.400 365 K HN 0.105 nan 8.250 nan 0.000 0.573 366 G N -0.241 108.154 108.800 -0.675 0.000 2.535 366 G HA2 0.244 4.204 3.960 -0.000 0.000 0.303 366 G HA3 0.244 4.204 3.960 -0.000 0.000 0.303 366 G C 0.097 174.882 174.900 -0.192 0.000 1.237 366 G CA -0.378 44.404 45.100 -0.529 0.000 0.986 366 G HN 0.395 nan 8.290 nan 0.000 0.494 367 F N -0.510 119.472 119.950 0.054 0.000 2.171 367 F HA -0.109 4.418 4.527 -0.000 0.000 0.300 367 F C 2.916 178.672 175.800 -0.073 0.000 1.090 367 F CA 1.222 59.206 58.000 -0.025 0.000 1.293 367 F CB -0.391 38.654 39.000 0.075 0.000 1.013 367 F HN 0.097 nan 8.300 nan 0.000 0.486 368 V N -0.210 119.809 119.914 0.174 0.000 2.594 368 V HA -0.286 3.834 4.120 -0.000 0.000 0.253 368 V C 1.147 177.258 176.094 0.028 0.000 1.069 368 V CA 2.051 64.415 62.300 0.108 0.000 1.082 368 V CB -1.108 30.805 31.823 0.149 0.000 0.680 368 V HN 0.375 nan 8.190 nan 0.000 0.469 369 N N -0.342 118.339 118.700 -0.032 0.000 2.398 369 N HA 0.235 4.975 4.740 -0.000 0.000 0.188 369 N C 0.348 175.749 175.510 -0.181 0.000 1.122 369 N CA -0.018 52.980 53.050 -0.086 0.000 0.866 369 N CB -0.093 38.327 38.487 -0.111 0.000 0.970 369 N HN 0.428 nan 8.380 nan 0.000 0.462 370 I N 1.342 121.771 120.570 -0.236 0.000 2.775 370 I HA -0.121 4.049 4.170 -0.000 0.000 0.290 370 I C 1.426 177.481 176.117 -0.105 0.000 1.203 370 I CA 0.321 61.483 61.300 -0.229 0.000 1.433 370 I CB 0.755 38.632 38.000 -0.204 0.000 1.354 370 I HN 0.179 nan 8.210 nan 0.000 0.579 371 R N 4.326 124.795 120.500 -0.052 0.000 2.080 371 R HA 0.127 4.467 4.340 -0.000 0.000 0.222 371 R C 0.860 177.148 176.300 -0.021 0.000 1.107 371 R CA 0.549 56.632 56.100 -0.027 0.000 0.980 371 R CB -0.124 30.172 30.300 -0.006 0.000 0.879 371 R HN 0.763 nan 8.270 nan 0.000 0.439 372 A N 1.669 124.490 122.820 0.002 0.000 2.466 372 A HA 0.227 4.546 4.320 -0.000 0.000 0.238 372 A C 0.671 178.173 177.584 -0.138 0.000 1.074 372 A CA -0.349 51.648 52.037 -0.068 0.000 0.774 372 A CB 0.144 19.059 19.000 -0.142 0.000 1.015 372 A HN 0.151 nan 8.150 nan 0.000 0.498 373 V N -0.052 119.793 119.914 -0.116 0.000 2.963 373 V HA 0.163 4.283 4.120 -0.000 0.000 0.306 373 V C -1.686 174.314 176.094 -0.156 0.000 1.077 373 V CA -0.863 61.373 62.300 -0.107 0.000 1.124 373 V CB -0.127 31.652 31.823 -0.073 0.000 0.987 373 V HN 0.744 nan 8.190 nan 0.000 0.487 374 P HA -0.139 nan 4.420 nan 0.000 0.216 374 P C 1.359 178.580 177.300 -0.133 0.000 1.150 374 P CA 1.600 64.627 63.100 -0.122 0.000 0.843 374 P CB 0.156 31.817 31.700 -0.066 0.000 0.787 375 E N -0.579 119.554 120.200 -0.112 0.000 2.110 375 E HA -0.210 4.139 4.350 -0.000 0.000 0.193 375 E C 1.974 178.478 176.600 -0.161 0.000 0.988 375 E CA 1.220 57.545 56.400 -0.125 0.000 0.804 375 E CB -0.718 28.927 29.700 -0.092 0.000 0.745 375 E HN 0.362 nan 8.360 nan 0.000 0.458 376 E N 0.227 120.326 120.200 -0.169 0.000 2.072 376 E HA -0.095 4.255 4.350 -0.000 0.000 0.190 376 E C 1.859 178.290 176.600 -0.282 0.000 0.982 376 E CA 0.878 57.173 56.400 -0.174 0.000 0.803 376 E CB -0.107 29.493 29.700 -0.168 0.000 0.755 376 E HN 0.081 nan 8.360 nan 0.000 0.453 377 V N 1.083 120.712 119.914 -0.474 0.000 2.407 377 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 377 V C 2.388 178.429 176.094 -0.089 0.000 1.055 377 V CA 2.065 64.047 62.300 -0.531 0.000 1.049 377 V CB -0.709 30.841 31.823 -0.456 0.000 0.662 377 V HN 0.340 nan 8.190 nan 0.000 0.455 378 E N 0.631 120.774 120.200 -0.095 0.000 2.118 378 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 378 E C 1.987 178.606 176.600 0.032 0.000 0.992 378 E CA 1.525 57.913 56.400 -0.020 0.000 0.804 378 E CB -0.415 29.251 29.700 -0.057 0.000 0.741 378 E HN 0.591 nan 8.360 nan 0.000 0.458 379 L N -0.341 120.876 121.223 -0.009 0.000 2.046 379 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 379 L C 2.519 179.459 176.870 0.117 0.000 1.077 379 L CA 1.201 56.064 54.840 0.038 0.000 0.747 379 L CB -0.617 41.459 42.059 0.028 0.000 0.896 379 L HN 0.233 nan 8.230 nan 0.000 0.432 380 A N -0.124 122.822 122.820 0.211 0.000 1.929 380 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 380 A C 2.394 180.174 177.584 0.326 0.000 1.176 380 A CA 1.547 53.753 52.037 0.282 0.000 0.628 380 A CB -0.332 18.955 19.000 0.478 0.000 0.816 380 A HN 0.289 nan 8.150 nan 0.000 0.444 381 K N 0.427 121.061 120.400 0.390 0.000 2.026 381 K HA -0.218 4.102 4.320 -0.000 0.000 0.208 381 K C 2.027 178.744 176.600 0.196 0.000 1.048 381 K CA 1.750 58.237 56.287 0.333 0.000 0.929 381 K CB -0.219 32.372 32.500 0.152 0.000 0.713 381 K HN 0.733 nan 8.250 nan 0.000 0.439 382 E N 0.164 120.453 120.200 0.148 0.000 2.268 382 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 382 E C 0.597 177.249 176.600 0.087 0.000 0.995 382 E CA 1.083 57.552 56.400 0.115 0.000 0.836 382 E CB 0.023 29.803 29.700 0.133 0.000 0.763 382 E HN 0.408 nan 8.360 nan 0.000 0.491 383 E N 0.788 121.038 120.200 0.082 0.000 2.419 383 E HA 0.039 4.389 4.350 -0.000 0.000 0.190 383 E C -0.466 176.156 176.600 0.036 0.000 1.040 383 E CA -0.215 56.204 56.400 0.032 0.000 0.900 383 E CB 0.353 30.044 29.700 -0.014 0.000 1.054 383 E HN 0.086 nan 8.360 nan 0.000 0.462 384 K N -0.678 119.770 120.400 0.080 0.000 3.129 384 K HA -0.162 4.158 4.320 -0.000 0.000 0.273 384 K C -0.509 176.113 176.600 0.037 0.000 1.123 384 K CA 0.311 56.641 56.287 0.072 0.000 0.800 384 K CB -3.230 29.289 32.500 0.031 0.000 1.238 384 K HN 0.249 nan 8.250 nan 0.000 0.492 385 C N 1.162 120.511 119.300 0.082 0.000 2.601 385 C HA 0.295 4.755 4.460 -0.000 0.000 0.409 385 C C 1.336 176.353 174.990 0.045 0.000 1.293 385 C CA -0.505 58.483 59.018 -0.050 0.000 2.101 385 C CB 0.712 28.376 27.740 -0.127 0.000 2.639 385 C HN 0.338 nan 8.230 nan 0.000 0.592 386 E N 0.931 121.055 120.200 -0.127 0.000 2.266 386 E HA 0.552 4.902 4.350 -0.000 0.000 0.277 386 E C -1.380 175.297 176.600 0.129 0.000 1.018 386 E CA -0.285 56.172 56.400 0.094 0.000 0.840 386 E CB 0.394 30.062 29.700 -0.054 0.000 1.082 386 E HN 0.376 nan 8.360 nan 0.000 0.395 387 F N 3.794 123.886 119.950 0.236 0.000 2.444 387 F HA 0.411 4.938 4.527 -0.000 0.000 0.342 387 F C -0.388 175.493 175.800 0.135 0.000 1.121 387 F CA -0.771 57.398 58.000 0.282 0.000 0.997 387 F CB 0.933 40.336 39.000 0.671 0.000 1.130 387 F HN 0.238 nan 8.300 nan 0.000 0.454 388 L N 6.211 127.320 121.223 -0.190 0.000 2.353 388 L HA 0.436 4.776 4.340 -0.000 0.000 0.270 388 L C -2.474 173.887 176.870 -0.849 0.000 1.003 388 L CA -1.883 52.768 54.840 -0.314 0.000 0.862 388 L CB 1.521 43.394 42.059 -0.310 0.000 1.221 388 L HN 0.316 nan 8.230 nan 0.000 0.430 389 P HA 0.234 nan 4.420 nan 0.000 0.278 389 P C -0.069 177.194 177.300 -0.062 0.000 1.266 389 P CA -0.340 62.483 63.100 -0.462 0.000 0.807 389 P CB 0.678 32.504 31.700 0.209 0.000 1.094 390 F N -2.611 117.354 119.950 0.026 0.000 3.004 390 F HA -0.201 4.326 4.527 -0.000 0.000 0.264 390 F C -0.060 175.741 175.800 0.001 0.000 0.979 390 F CA 0.703 58.752 58.000 0.083 0.000 0.896 390 F CB -1.983 37.113 39.000 0.161 0.000 0.813 390 F HN 0.142 nan 8.300 nan 0.000 0.804 391 L N 0.055 121.285 121.223 0.011 0.000 2.409 391 L HA 0.560 4.900 4.340 -0.000 0.000 0.272 391 L C 0.010 176.955 176.870 0.126 0.000 0.980 391 L CA -0.690 54.150 54.840 -0.000 0.000 0.826 391 L CB 2.258 44.118 42.059 -0.331 0.000 1.268 391 L HN 0.089 nan 8.230 nan 0.000 0.407 392 S N 3.989 119.835 115.700 0.242 0.000 2.449 392 S HA 0.617 5.087 4.470 -0.000 0.000 0.310 392 S C -2.590 172.180 174.600 0.283 0.000 1.096 392 S CA -1.510 56.822 58.200 0.220 0.000 1.095 392 S CB 1.519 64.779 63.200 0.101 0.000 1.007 392 S HN 0.216 nan 8.310 nan 0.000 0.474 393 P HA 0.308 nan 4.420 nan 0.000 0.268 393 P C 0.162 177.340 177.300 -0.202 0.000 1.204 393 P CA -0.232 62.757 63.100 -0.186 0.000 0.768 393 P CB 0.551 32.235 31.700 -0.027 0.000 0.842 394 R N 1.727 122.052 120.500 -0.292 0.000 2.428 394 R HA 0.280 4.620 4.340 -0.000 0.000 0.193 394 R C 0.066 176.232 176.300 -0.223 0.000 0.852 394 R CA 0.756 56.736 56.100 -0.201 0.000 1.055 394 R CB 0.470 30.700 30.300 -0.117 0.000 1.343 394 R HN 0.470 nan 8.270 nan 0.000 0.655 395 K N 0.371 120.620 120.400 -0.252 0.000 2.527 395 K HA 0.462 4.782 4.320 -0.000 0.000 0.260 395 K C -1.312 175.172 176.600 -0.195 0.000 0.937 395 K CA -0.611 55.558 56.287 -0.196 0.000 0.826 395 K CB 3.460 35.881 32.500 -0.133 0.000 1.359 395 K HN -0.264 nan 8.250 nan 0.000 0.434 396 V N 3.625 123.465 119.914 -0.124 0.000 2.417 396 V HA 0.447 4.567 4.120 -0.000 0.000 0.291 396 V C -0.279 175.771 176.094 -0.072 0.000 1.024 396 V CA -0.776 61.476 62.300 -0.080 0.000 0.861 396 V CB 1.342 33.162 31.823 -0.004 0.000 0.985 396 V HN 0.597 nan 8.190 nan 0.000 0.436 397 I N 5.060 125.587 120.570 -0.072 0.000 2.336 397 I HA 0.473 4.643 4.170 -0.000 0.000 0.292 397 I C -0.559 175.546 176.117 -0.019 0.000 0.991 397 I CA -0.604 60.672 61.300 -0.040 0.000 1.227 397 I CB 1.760 39.742 38.000 -0.030 0.000 1.366 397 I HN 0.263 nan 8.210 nan 0.000 0.466 398 V N 6.847 126.754 119.914 -0.012 0.000 2.495 398 V HA 0.481 4.601 4.120 -0.000 0.000 0.298 398 V C -0.224 175.873 176.094 0.004 0.000 1.031 398 V CA -0.731 61.567 62.300 -0.004 0.000 0.871 398 V CB 1.861 33.678 31.823 -0.011 0.000 0.988 398 V HN 0.666 nan 8.190 nan 0.000 0.432 399 K N 2.278 122.684 120.400 0.010 0.000 2.501 399 K HA 0.594 4.914 4.320 -0.000 0.000 0.252 399 K C 0.611 177.219 176.600 0.013 0.000 0.934 399 K CA -0.281 56.014 56.287 0.013 0.000 0.797 399 K CB 2.058 34.569 32.500 0.020 0.000 1.270 399 K HN 0.980 nan 8.250 nan 0.000 0.431 400 G N 1.148 109.954 108.800 0.011 0.000 2.203 400 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.263 400 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.263 400 G C 0.725 175.631 174.900 0.009 0.000 1.012 400 G CA 0.885 45.992 45.100 0.011 0.000 0.749 400 G HN 1.254 nan 8.290 nan 0.000 0.512 401 G N -2.062 106.742 108.800 0.006 0.000 2.143 401 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.249 401 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.249 401 G C 0.191 175.095 174.900 0.006 0.000 0.981 401 G CA 1.130 46.233 45.100 0.004 0.000 0.665 401 G HN 1.236 nan 8.290 nan 0.000 0.528 402 R N -0.725 119.781 120.500 0.010 0.000 2.686 402 R HA 0.708 5.048 4.340 -0.000 0.000 0.283 402 R C 0.457 176.766 176.300 0.015 0.000 0.978 402 R CA -0.885 55.224 56.100 0.014 0.000 0.897 402 R CB 0.885 31.198 30.300 0.021 0.000 1.192 402 R HN 0.192 nan 8.270 nan 0.000 0.457 403 I N 3.326 123.906 120.570 0.018 0.000 2.692 403 I HA -0.028 4.142 4.170 -0.000 0.000 0.284 403 I C 1.202 177.330 176.117 0.019 0.000 1.159 403 I CA 0.275 61.584 61.300 0.015 0.000 1.423 403 I CB 0.776 38.791 38.000 0.025 0.000 1.380 403 I HN 0.544 nan 8.210 nan 0.000 0.580 404 V N 2.168 122.089 119.914 0.011 0.000 3.497 404 V HA 0.680 4.800 4.120 -0.000 0.000 0.272 404 V C 0.328 176.424 176.094 0.003 0.000 1.474 404 V CA 0.396 62.709 62.300 0.022 0.000 1.025 404 V CB 0.109 31.954 31.823 0.037 0.000 0.820 404 V HN 0.798 nan 8.190 nan 0.000 0.437 405 A N -0.482 122.309 122.820 -0.048 0.000 2.586 405 A HA 0.809 5.129 4.320 -0.000 0.000 0.291 405 A C -1.563 175.907 177.584 -0.189 0.000 1.062 405 A CA -0.222 51.724 52.037 -0.151 0.000 0.666 405 A CB 1.775 20.586 19.000 -0.316 0.000 1.281 405 A HN 0.660 nan 8.150 nan 0.000 0.421 406 V N 1.040 120.814 119.914 -0.234 0.000 2.686 406 V HA 0.541 4.661 4.120 -0.000 0.000 0.306 406 V C -0.282 175.584 176.094 -0.379 0.000 1.065 406 V CA -0.453 61.667 62.300 -0.300 0.000 0.894 406 V CB 1.719 33.362 31.823 -0.299 0.000 1.004 406 V HN 0.925 nan 8.190 nan 0.000 0.424 407 Q N 2.923 122.478 119.800 -0.407 0.000 2.271 407 Q HA 0.668 5.008 4.340 -0.000 0.000 0.258 407 Q C -1.820 173.976 176.000 -0.340 0.000 0.936 407 Q CA -0.331 55.339 55.803 -0.222 0.000 0.909 407 Q CB 1.355 30.030 28.738 -0.106 0.000 1.253 407 Q HN 0.615 nan 8.270 nan 0.000 0.440 408 F N 1.387 121.320 119.950 -0.029 0.000 2.618 408 F HA 0.593 5.120 4.527 -0.000 0.000 0.332 408 F C -0.147 175.655 175.800 0.004 0.000 1.061 408 F CA -0.937 57.056 58.000 -0.012 0.000 0.974 408 F CB 1.500 40.489 39.000 -0.017 0.000 1.310 408 F HN 0.326 nan 8.300 nan 0.000 0.491 409 V N -0.903 119.146 119.914 0.225 0.000 2.864 409 V HA 0.645 4.765 4.120 -0.000 0.000 0.314 409 V C -0.419 175.766 176.094 0.153 0.000 1.073 409 V CA -1.217 61.168 62.300 0.141 0.000 0.956 409 V CB 1.705 33.582 31.823 0.090 0.000 1.023 409 V HN 0.837 nan 8.190 nan 0.000 0.435 410 R N 1.394 121.968 120.500 0.124 0.000 2.582 410 R HA 0.597 4.937 4.340 -0.000 0.000 0.271 410 R C -0.026 176.376 176.300 0.172 0.000 1.078 410 R CA 0.402 56.584 56.100 0.138 0.000 1.127 410 R CB 1.193 31.550 30.300 0.096 0.000 1.038 410 R HN 1.127 nan 8.270 nan 0.000 0.500 411 T N 0.045 114.756 114.554 0.262 0.000 2.924 411 T HA 0.568 4.918 4.350 -0.000 0.000 0.291 411 T C -0.888 174.063 174.700 0.419 0.000 1.045 411 T CA -0.899 61.414 62.100 0.355 0.000 1.015 411 T CB 1.861 70.981 68.868 0.420 0.000 1.103 411 T HN 0.751 nan 8.240 nan 0.000 0.496 412 E N 0.658 121.088 120.200 0.383 0.000 2.388 412 E HA 0.306 4.656 4.350 -0.000 0.000 0.281 412 E C -1.648 174.942 176.600 -0.017 0.000 1.046 412 E CA -1.108 55.391 56.400 0.166 0.000 0.825 412 E CB 1.198 30.892 29.700 -0.009 0.000 1.243 412 E HN 0.651 nan 8.360 nan 0.000 0.438 413 Q N 1.590 121.205 119.800 -0.309 0.000 2.257 413 Q HA 0.248 4.588 4.340 -0.000 0.000 0.255 413 Q C -0.898 174.951 176.000 -0.252 0.000 0.920 413 Q CA -0.806 54.704 55.803 -0.487 0.000 0.927 413 Q CB 1.415 29.661 28.738 -0.820 0.000 1.229 413 Q HN 0.546 nan 8.270 nan 0.000 0.433 414 D N 1.113 121.403 120.400 -0.183 0.000 2.423 414 D HA 0.007 4.647 4.640 -0.000 0.000 0.255 414 D C 0.080 176.310 176.300 -0.118 0.000 1.174 414 D CA -0.536 53.396 54.000 -0.114 0.000 1.008 414 D CB 0.672 41.431 40.800 -0.069 0.000 1.101 414 D HN 0.254 nan 8.370 nan 0.000 0.516 415 E N -0.659 119.493 120.200 -0.081 0.000 2.506 415 E HA 0.036 4.386 4.350 -0.000 0.000 0.210 415 E C -0.010 176.555 176.600 -0.059 0.000 1.325 415 E CA 0.276 56.635 56.400 -0.069 0.000 1.273 415 E CB -0.735 28.936 29.700 -0.048 0.000 1.276 415 E HN 0.454 nan 8.360 nan 0.000 0.442 416 T N -1.644 112.868 114.554 -0.071 0.000 3.262 416 T HA 0.274 4.624 4.350 -0.000 0.000 0.300 416 T C 1.201 175.864 174.700 -0.061 0.000 0.959 416 T CA 0.076 62.146 62.100 -0.050 0.000 0.936 416 T CB 1.087 69.935 68.868 -0.033 0.000 1.169 416 T HN 0.315 nan 8.240 nan 0.000 0.532 417 G N 2.657 111.390 108.800 -0.112 0.000 2.435 417 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.245 417 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.245 417 G C 0.359 175.148 174.900 -0.185 0.000 1.073 417 G CA 0.567 45.582 45.100 -0.143 0.000 0.638 417 G HN 0.633 nan 8.290 nan 0.000 0.521 418 K N 1.476 121.821 120.400 -0.091 0.000 2.430 418 K HA 0.251 4.571 4.320 -0.000 0.000 0.280 418 K C -0.044 176.527 176.600 -0.048 0.000 1.063 418 K CA -0.570 55.709 56.287 -0.014 0.000 1.071 418 K CB -0.393 32.116 32.500 0.016 0.000 0.899 418 K HN 0.313 nan 8.250 nan 0.000 0.473 419 W N 4.773 126.099 121.300 0.044 0.000 2.303 419 W HA 0.206 4.866 4.660 -0.000 0.000 0.318 419 W C 0.295 176.843 176.519 0.048 0.000 1.362 419 W CA -0.175 57.206 57.345 0.060 0.000 1.234 419 W CB 0.482 29.977 29.460 0.058 0.000 1.248 419 W HN 0.511 nan 8.180 nan 0.000 0.546 420 N N 2.359 121.211 118.700 0.253 0.000 2.381 420 N HA 0.354 5.094 4.740 -0.000 0.000 0.294 420 N C -1.200 174.418 175.510 0.180 0.000 1.216 420 N CA -0.954 52.196 53.050 0.166 0.000 0.803 420 N CB 1.816 40.354 38.487 0.084 0.000 1.372 420 N HN 0.427 nan 8.380 nan 0.000 0.500 421 E N 0.273 120.548 120.200 0.124 0.000 2.171 421 E HA 0.260 4.610 4.350 -0.000 0.000 0.271 421 E C -1.248 175.400 176.600 0.080 0.000 0.916 421 E CA -0.652 55.815 56.400 0.112 0.000 0.774 421 E CB 1.478 31.229 29.700 0.086 0.000 1.128 421 E HN 0.299 nan 8.360 nan 0.000 0.403 422 D N 4.045 124.492 120.400 0.079 0.000 2.428 422 D HA 0.035 4.675 4.640 -0.000 0.000 0.221 422 D C 0.629 176.959 176.300 0.049 0.000 1.123 422 D CA -0.166 53.867 54.000 0.055 0.000 0.869 422 D CB 1.137 41.966 40.800 0.048 0.000 1.032 422 D HN 0.390 nan 8.370 nan 0.000 0.506 423 E N 1.512 121.734 120.200 0.038 0.000 2.097 423 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 423 E C 1.335 177.953 176.600 0.030 0.000 1.000 423 E CA 1.099 57.517 56.400 0.031 0.000 0.804 423 E CB 0.100 29.813 29.700 0.021 0.000 0.740 423 E HN 0.609 nan 8.360 nan 0.000 0.454 424 D N 0.242 120.658 120.400 0.026 0.000 2.363 424 D HA -0.139 4.501 4.640 -0.000 0.000 0.220 424 D C 0.111 176.428 176.300 0.028 0.000 0.994 424 D CA 0.307 54.320 54.000 0.023 0.000 0.890 424 D CB -0.144 40.666 40.800 0.016 0.000 0.906 424 D HN 0.171 nan 8.370 nan 0.000 0.530 425 Q N 1.031 120.853 119.800 0.036 0.000 2.462 425 Q HA 0.458 4.798 4.340 -0.000 0.000 0.247 425 Q C -0.099 175.936 176.000 0.059 0.000 1.044 425 Q CA -0.469 55.358 55.803 0.041 0.000 0.803 425 Q CB 1.781 30.541 28.738 0.036 0.000 1.190 425 Q HN 0.404 nan 8.270 nan 0.000 0.507 426 I N -1.813 118.794 120.570 0.062 0.000 2.863 426 I HA 0.829 4.999 4.170 -0.000 0.000 0.311 426 I C -0.708 175.468 176.117 0.099 0.000 1.026 426 I CA -1.335 60.017 61.300 0.087 0.000 1.077 426 I CB 1.787 39.835 38.000 0.081 0.000 1.262 426 I HN 0.080 nan 8.210 nan 0.000 0.461 427 V N 2.113 122.115 119.914 0.146 0.000 2.686 427 V HA 0.298 4.418 4.120 -0.000 0.000 0.306 427 V C -1.221 175.009 176.094 0.227 0.000 1.065 427 V CA -0.431 61.959 62.300 0.151 0.000 0.894 427 V CB 1.640 33.516 31.823 0.089 0.000 1.004 427 V HN 0.840 nan 8.190 nan 0.000 0.424 428 H N 4.568 123.688 119.070 0.083 0.000 2.691 428 H HA 0.636 5.192 4.556 -0.000 0.000 0.281 428 H C -1.025 174.332 175.328 0.047 0.000 1.121 428 H CA -0.535 55.556 56.048 0.072 0.000 1.254 428 H CB 1.158 30.939 29.762 0.030 0.000 1.390 428 H HN 0.524 nan 8.280 nan 0.000 0.491 429 L N 4.926 126.145 121.223 -0.007 0.000 2.272 429 L HA 0.357 4.697 4.340 -0.000 0.000 0.289 429 L C -0.581 176.228 176.870 -0.101 0.000 1.032 429 L CA -0.416 54.390 54.840 -0.057 0.000 0.810 429 L CB 0.795 42.805 42.059 -0.082 0.000 1.205 429 L HN 0.544 nan 8.230 nan 0.000 0.422 430 K N 4.075 124.445 120.400 -0.050 0.000 2.401 430 K HA 0.660 4.980 4.320 -0.000 0.000 0.278 430 K C -0.627 175.964 176.600 -0.015 0.000 1.018 430 K CA 0.128 56.412 56.287 -0.006 0.000 0.981 430 K CB 0.763 33.296 32.500 0.055 0.000 0.933 430 K HN 0.784 nan 8.250 nan 0.000 0.477 431 A N 2.180 125.009 122.820 0.014 0.000 2.605 431 A HA 0.246 4.566 4.320 -0.000 0.000 0.294 431 A C -0.820 176.789 177.584 0.043 0.000 1.062 431 A CA -0.790 51.274 52.037 0.045 0.000 0.682 431 A CB 1.151 20.174 19.000 0.040 0.000 1.278 431 A HN 0.770 nan 8.150 nan 0.000 0.410 432 D N -0.355 120.076 120.400 0.052 0.000 2.422 432 D HA 0.241 4.881 4.640 -0.000 0.000 0.218 432 D C -0.075 176.252 176.300 0.045 0.000 1.047 432 D CA 0.963 54.991 54.000 0.046 0.000 0.885 432 D CB 1.144 41.974 40.800 0.049 0.000 1.035 432 D HN 0.230 nan 8.370 nan 0.000 0.502 433 V N 1.500 121.435 119.914 0.035 0.000 2.789 433 V HA 0.364 4.484 4.120 -0.000 0.000 0.311 433 V C -0.460 175.626 176.094 -0.013 0.000 1.073 433 V CA -0.777 61.538 62.300 0.024 0.000 0.921 433 V CB 3.038 34.854 31.823 -0.012 0.000 1.009 433 V HN -0.231 nan 8.190 nan 0.000 0.426 434 V N 5.550 125.453 119.914 -0.018 0.000 2.531 434 V HA 0.577 4.697 4.120 -0.000 0.000 0.301 434 V C -0.641 175.291 176.094 -0.269 0.000 1.034 434 V CA -0.370 61.888 62.300 -0.070 0.000 0.865 434 V CB 1.938 33.786 31.823 0.042 0.000 0.995 434 V HN 0.701 nan 8.190 nan 0.000 0.424 435 I N 4.095 124.453 120.570 -0.354 0.000 2.439 435 I HA 0.401 4.571 4.170 -0.000 0.000 0.285 435 I C 0.203 176.039 176.117 -0.467 0.000 1.021 435 I CA -0.350 60.645 61.300 -0.508 0.000 1.091 435 I CB 2.220 39.893 38.000 -0.546 0.000 1.242 435 I HN 0.676 nan 8.210 nan 0.000 0.439 436 S N 4.581 119.913 115.700 -0.615 0.000 2.499 436 S HA 0.711 5.181 4.470 -0.000 0.000 0.279 436 S C 0.140 174.452 174.600 -0.480 0.000 1.219 436 S CA -0.601 57.189 58.200 -0.684 0.000 1.062 436 S CB 1.762 64.448 63.200 -0.856 0.000 0.978 436 S HN 0.719 nan 8.310 nan 0.000 0.489 437 A N 3.136 125.745 122.820 -0.352 0.000 3.214 437 A HA 0.576 4.896 4.320 -0.000 0.000 0.304 437 A C -0.126 177.557 177.584 0.165 0.000 0.969 437 A CA -0.622 51.367 52.037 -0.080 0.000 0.986 437 A CB -0.577 18.393 19.000 -0.050 0.000 1.073 437 A HN 0.741 nan 8.150 nan 0.000 0.487 438 F N 0.576 120.557 119.950 0.051 0.000 2.773 438 F HA 0.405 4.932 4.527 -0.000 0.000 0.304 438 F C 1.508 177.327 175.800 0.032 0.000 1.129 438 F CA 0.028 58.059 58.000 0.052 0.000 1.378 438 F CB -0.657 38.399 39.000 0.093 0.000 1.095 438 F HN 0.636 nan 8.300 nan 0.000 0.565 439 G N -0.283 108.634 108.800 0.195 0.000 2.483 439 G HA2 0.026 3.986 3.960 -0.000 0.000 0.521 439 G HA3 0.026 3.986 3.960 -0.000 0.000 0.521 439 G C -0.756 174.204 174.900 0.100 0.000 1.278 439 G CA -0.676 44.493 45.100 0.116 0.000 0.965 439 G HN 0.170 nan 8.290 nan 0.000 0.504 440 S N -1.503 114.240 115.700 0.072 0.000 2.632 440 S HA 0.932 5.402 4.470 -0.000 0.000 0.289 440 S C 0.075 174.711 174.600 0.060 0.000 1.115 440 S CA 0.013 58.254 58.200 0.067 0.000 0.889 440 S CB 1.944 65.178 63.200 0.055 0.000 1.116 440 S HN 2.122 nan 8.310 nan 0.000 0.486 441 V N -0.839 119.113 119.914 0.064 0.000 3.226 441 V HA 0.807 4.927 4.120 -0.000 0.000 0.304 441 V C -1.910 174.224 176.094 0.066 0.000 1.336 441 V CA -1.070 61.268 62.300 0.064 0.000 1.066 441 V CB 1.709 33.575 31.823 0.071 0.000 1.087 441 V HN 0.685 nan 8.190 nan 0.000 0.451 442 L N 1.352 122.622 121.223 0.077 0.000 2.316 442 L HA 0.724 5.063 4.340 -0.000 0.000 0.280 442 L C 0.516 177.433 176.870 0.078 0.000 1.006 442 L CA 0.284 55.173 54.840 0.082 0.000 0.836 442 L CB 1.062 43.186 42.059 0.109 0.000 1.221 442 L HN 0.798 nan 8.230 nan 0.000 0.418 443 R N 1.189 121.724 120.500 0.057 0.000 2.470 443 R HA 0.176 4.515 4.340 -0.000 0.000 0.210 443 R C -0.284 176.029 176.300 0.021 0.000 0.873 443 R CA -0.468 55.656 56.100 0.040 0.000 1.015 443 R CB 0.312 30.637 30.300 0.043 0.000 1.348 443 R HN 0.619 nan 8.270 nan 0.000 0.650 444 D N 2.994 123.409 120.400 0.024 0.000 2.661 444 D HA -0.054 4.586 4.640 -0.000 0.000 0.244 444 D C -1.723 174.574 176.300 -0.005 0.000 1.196 444 D CA -0.766 53.242 54.000 0.012 0.000 0.881 444 D CB 1.187 41.998 40.800 0.017 0.000 1.141 444 D HN -0.024 nan 8.370 nan 0.000 0.530 445 P HA -0.149 nan 4.420 nan 0.000 0.216 445 P C 1.096 178.373 177.300 -0.037 0.000 1.150 445 P CA 1.379 64.455 63.100 -0.039 0.000 0.837 445 P CB 0.254 31.934 31.700 -0.034 0.000 0.786 446 K N -0.823 119.565 120.400 -0.020 0.000 2.148 446 K HA -0.054 4.266 4.320 -0.000 0.000 0.204 446 K C 1.867 178.459 176.600 -0.012 0.000 1.050 446 K CA 1.037 57.314 56.287 -0.017 0.000 0.942 446 K CB -0.605 31.889 32.500 -0.010 0.000 0.724 446 K HN 0.047 nan 8.250 nan 0.000 0.446 447 V N 1.739 121.651 119.914 -0.004 0.000 2.379 447 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 447 V C 1.978 178.086 176.094 0.022 0.000 1.044 447 V CA 1.548 63.854 62.300 0.010 0.000 1.036 447 V CB -0.289 31.547 31.823 0.022 0.000 0.664 447 V HN 0.254 nan 8.190 nan 0.000 0.453 448 K N 0.073 120.474 120.400 0.002 0.000 2.097 448 K HA -0.220 4.100 4.320 -0.000 0.000 0.205 448 K C 2.184 178.743 176.600 -0.068 0.000 1.050 448 K CA 1.614 57.881 56.287 -0.034 0.000 0.938 448 K CB -0.149 32.237 32.500 -0.190 0.000 0.718 448 K HN 0.544 nan 8.250 nan 0.000 0.442 449 E N 1.019 121.179 120.200 -0.067 0.000 2.153 449 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 449 E C 1.759 178.351 176.600 -0.014 0.000 0.988 449 E CA 0.886 57.254 56.400 -0.054 0.000 0.811 449 E CB -0.011 29.663 29.700 -0.045 0.000 0.746 449 E HN 0.301 nan 8.360 nan 0.000 0.466 450 A N 0.568 123.386 122.820 -0.002 0.000 2.121 450 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 450 A C 1.873 179.469 177.584 0.020 0.000 1.154 450 A CA 0.649 52.688 52.037 0.005 0.000 0.679 450 A CB -0.250 18.746 19.000 -0.006 0.000 0.795 450 A HN 0.319 nan 8.150 nan 0.000 0.458 451 L N -0.288 120.966 121.223 0.051 0.000 2.628 451 L HA 0.111 4.451 4.340 -0.000 0.000 0.229 451 L C 1.129 178.054 176.870 0.091 0.000 1.137 451 L CA -0.259 54.628 54.840 0.078 0.000 0.909 451 L CB 0.024 42.201 42.059 0.196 0.000 1.137 451 L HN 0.311 nan 8.230 nan 0.000 0.470 452 S N 1.745 117.482 115.700 0.061 0.000 2.560 452 S HA 0.118 4.588 4.470 -0.000 0.000 0.284 452 S C -1.626 173.011 174.600 0.063 0.000 1.327 452 S CA -0.781 57.451 58.200 0.053 0.000 1.055 452 S CB 0.604 63.819 63.200 0.024 0.000 0.868 452 S HN 0.092 nan 8.310 nan 0.000 0.506 453 P HA 0.257 nan 4.420 nan 0.000 0.270 453 P C 0.211 177.545 177.300 0.057 0.000 1.754 453 P CA -0.368 62.764 63.100 0.054 0.000 1.202 453 P CB -0.606 31.121 31.700 0.045 0.000 1.592 454 I N -2.236 118.367 120.570 0.055 0.000 2.813 454 I HA 0.184 4.354 4.170 -0.000 0.000 0.287 454 I C 0.022 176.207 176.117 0.114 0.000 1.196 454 I CA -0.314 60.991 61.300 0.009 0.000 1.421 454 I CB 0.478 38.413 38.000 -0.108 0.000 1.365 454 I HN -0.212 nan 8.210 nan 0.000 0.591 455 K N 4.608 125.024 120.400 0.027 0.000 2.350 455 K HA 0.346 4.666 4.320 -0.000 0.000 0.279 455 K C -1.125 175.519 176.600 0.073 0.000 1.027 455 K CA -0.081 56.252 56.287 0.077 0.000 0.969 455 K CB 0.623 33.116 32.500 -0.011 0.000 0.954 455 K HN 0.372 nan 8.250 nan 0.000 0.474 456 F N 2.105 122.015 119.950 -0.068 0.000 2.480 456 F HA 0.184 4.711 4.527 -0.000 0.000 0.329 456 F C 0.728 176.482 175.800 -0.075 0.000 1.091 456 F CA -1.045 56.920 58.000 -0.059 0.000 0.972 456 F CB 1.179 40.155 39.000 -0.040 0.000 1.150 456 F HN 0.585 nan 8.300 nan 0.000 0.467 457 N N 1.534 120.253 118.700 0.033 0.000 2.374 457 N HA 0.187 4.927 4.740 -0.000 0.000 0.284 457 N C 0.897 176.346 175.510 -0.101 0.000 1.280 457 N CA -0.616 52.379 53.050 -0.091 0.000 0.963 457 N CB 0.196 38.566 38.487 -0.196 0.000 1.141 457 N HN 0.629 nan 8.380 nan 0.000 0.565 458 R N -1.213 119.100 120.500 -0.312 0.000 2.285 458 R HA -0.009 4.331 4.340 -0.000 0.000 0.213 458 R C 0.313 176.559 176.300 -0.090 0.000 1.068 458 R CA 0.845 56.773 56.100 -0.285 0.000 1.004 458 R CB -0.508 29.505 30.300 -0.478 0.000 0.873 458 R HN 0.745 nan 8.270 nan 0.000 0.467 459 W N 1.001 122.325 121.300 0.040 0.000 3.256 459 W HA 0.161 4.821 4.660 -0.000 0.000 0.269 459 W C -0.244 176.318 176.519 0.071 0.000 1.310 459 W CA -0.413 56.957 57.345 0.041 0.000 1.673 459 W CB 0.338 29.813 29.460 0.025 0.000 1.115 459 W HN 0.182 nan 8.180 nan 0.000 0.686 460 D N 0.803 121.370 120.400 0.279 0.000 2.835 460 D HA -0.173 4.467 4.640 -0.000 0.000 0.230 460 D C -0.670 175.888 176.300 0.430 0.000 1.130 460 D CA 0.685 54.869 54.000 0.306 0.000 0.738 460 D CB -1.252 39.669 40.800 0.202 0.000 1.090 460 D HN 0.065 nan 8.370 nan 0.000 0.433 461 L N -0.893 120.507 121.223 0.295 0.000 2.323 461 L HA 0.643 4.983 4.340 -0.000 0.000 0.265 461 L C -2.076 174.566 176.870 -0.380 0.000 1.012 461 L CA -2.377 52.499 54.840 0.059 0.000 0.820 461 L CB 1.899 44.008 42.059 0.084 0.000 1.334 461 L HN -0.221 nan 8.230 nan 0.000 0.427 462 P HA -0.012 nan 4.420 nan 0.000 0.264 462 P C -1.002 176.036 177.300 -0.436 0.000 1.193 462 P CA 0.117 62.670 63.100 -0.912 0.000 0.763 462 P CB 0.432 31.717 31.700 -0.692 0.000 0.810 463 E N 3.028 123.013 120.200 -0.359 0.000 2.283 463 E HA 0.406 4.756 4.350 -0.000 0.000 0.278 463 E C -0.708 175.771 176.600 -0.202 0.000 1.027 463 E CA -0.826 55.449 56.400 -0.209 0.000 0.843 463 E CB 0.617 30.222 29.700 -0.157 0.000 1.062 463 E HN 0.255 nan 8.360 nan 0.000 0.401 464 V N 1.110 120.933 119.914 -0.152 0.000 3.078 464 V HA 0.406 4.526 4.120 -0.000 0.000 0.311 464 V C -0.567 175.461 176.094 -0.111 0.000 1.138 464 V CA -1.190 61.019 62.300 -0.151 0.000 1.007 464 V CB 1.809 33.554 31.823 -0.130 0.000 1.045 464 V HN 0.774 nan 8.190 nan 0.000 0.432 465 D N 3.827 124.153 120.400 -0.124 0.000 2.343 465 D HA 0.274 4.914 4.640 -0.000 0.000 0.255 465 D C -1.435 174.821 176.300 -0.073 0.000 1.187 465 D CA -1.488 52.450 54.000 -0.104 0.000 0.875 465 D CB 2.183 42.901 40.800 -0.136 0.000 1.136 465 D HN 0.540 nan 8.370 nan 0.000 0.469 466 P HA -0.160 nan 4.420 nan 0.000 0.223 466 P C 0.806 178.098 177.300 -0.014 0.000 1.144 466 P CA 0.958 64.048 63.100 -0.017 0.000 0.783 466 P CB 0.582 32.278 31.700 -0.006 0.000 0.771 467 E N 0.553 120.719 120.200 -0.056 0.000 2.162 467 E HA -0.062 4.288 4.350 -0.000 0.000 0.193 467 E C 1.904 178.396 176.600 -0.180 0.000 0.953 467 E CA 1.584 57.943 56.400 -0.069 0.000 0.849 467 E CB -0.848 28.800 29.700 -0.086 0.000 0.810 467 E HN 0.189 nan 8.360 nan 0.000 0.470 468 T N -2.414 111.943 114.554 -0.329 0.000 3.037 468 T HA 0.151 4.501 4.350 -0.000 0.000 0.251 468 T C 0.814 175.567 174.700 0.089 0.000 1.079 468 T CA 0.481 62.285 62.100 -0.495 0.000 1.067 468 T CB 0.123 68.641 68.868 -0.583 0.000 0.948 468 T HN 0.099 nan 8.240 nan 0.000 0.496 469 M N -0.156 119.484 119.600 0.067 0.000 2.908 469 M HA -0.154 4.326 4.480 -0.000 0.000 0.191 469 M C 0.054 176.407 176.300 0.089 0.000 0.619 469 M CA 0.496 55.893 55.300 0.160 0.000 0.709 469 M CB -2.840 29.964 32.600 0.341 0.000 2.554 469 M HN 0.659 nan 8.290 nan 0.000 0.356 470 Q N 1.601 121.302 119.800 -0.164 0.000 2.288 470 Q HA 0.431 4.771 4.340 -0.000 0.000 0.254 470 Q C 0.844 176.560 176.000 -0.474 0.000 0.932 470 Q CA 0.430 55.818 55.803 -0.691 0.000 0.902 470 Q CB 1.254 29.558 28.738 -0.724 0.000 1.203 470 Q HN 0.468 nan 8.270 nan 0.000 0.415 471 T N -0.614 113.616 114.554 -0.539 0.000 2.793 471 T HA 0.110 4.460 4.350 -0.000 0.000 0.299 471 T C 1.325 175.830 174.700 -0.324 0.000 1.038 471 T CA -0.002 61.871 62.100 -0.378 0.000 0.948 471 T CB 0.601 69.240 68.868 -0.381 0.000 1.231 471 T HN 0.703 nan 8.240 nan 0.000 0.538 472 S N -0.740 114.819 115.700 -0.236 0.000 2.442 472 S HA -0.028 4.442 4.470 -0.000 0.000 0.236 472 S C 0.519 175.024 174.600 -0.158 0.000 1.007 472 S CA 0.353 58.455 58.200 -0.165 0.000 0.965 472 S CB -0.483 62.654 63.200 -0.105 0.000 0.773 472 S HN 0.695 nan 8.310 nan 0.000 0.504 473 E N 2.594 122.662 120.200 -0.220 0.000 2.115 473 E HA 0.259 4.609 4.350 -0.000 0.000 0.282 473 E C -1.769 174.644 176.600 -0.312 0.000 0.987 473 E CA -2.737 53.556 56.400 -0.179 0.000 0.797 473 E CB 1.427 31.001 29.700 -0.210 0.000 1.086 473 E HN 0.205 nan 8.360 nan 0.000 0.397 474 P HA -0.166 nan 4.420 nan 0.000 0.217 474 P C 1.162 178.052 177.300 -0.684 0.000 1.148 474 P CA 1.402 64.297 63.100 -0.342 0.000 0.834 474 P CB -0.072 31.594 31.700 -0.057 0.000 0.783 475 W N 0.012 120.957 121.300 -0.591 0.000 3.256 475 W HA 0.334 4.994 4.660 -0.000 0.000 0.269 475 W C -0.754 175.707 176.519 -0.096 0.000 1.310 475 W CA -0.097 56.950 57.345 -0.497 0.000 1.673 475 W CB -0.718 28.704 29.460 -0.062 0.000 1.115 475 W HN -0.329 nan 8.180 nan 0.000 0.686 476 V N 2.570 122.022 119.914 -0.770 0.000 2.448 476 V HA 0.443 4.563 4.120 -0.000 0.000 0.295 476 V C -0.809 174.973 176.094 -0.521 0.000 1.025 476 V CA -0.483 61.422 62.300 -0.659 0.000 0.859 476 V CB 1.110 32.397 31.823 -0.894 0.000 0.988 476 V HN -0.178 nan 8.190 nan 0.000 0.431 477 F N 1.928 121.727 119.950 -0.253 0.000 2.618 477 F HA 0.947 5.473 4.527 -0.000 0.000 0.332 477 F C 0.367 175.975 175.800 -0.320 0.000 1.061 477 F CA -0.771 57.144 58.000 -0.142 0.000 0.974 477 F CB 2.102 41.167 39.000 0.109 0.000 1.310 477 F HN 0.621 nan 8.300 nan 0.000 0.491 478 A N 0.027 122.757 122.820 -0.150 0.000 2.594 478 A HA 0.908 5.228 4.320 -0.000 0.000 0.295 478 A C -0.896 176.532 177.584 -0.261 0.000 1.071 478 A CA -0.157 51.566 52.037 -0.522 0.000 0.685 478 A CB 1.699 20.473 19.000 -0.377 0.000 1.285 478 A HN 1.307 nan 8.150 nan 0.000 0.405 479 G N -1.126 107.474 108.800 -0.332 0.000 2.576 479 G HA2 0.856 4.816 3.960 -0.000 0.000 0.290 479 G HA3 0.856 4.816 3.960 -0.000 0.000 0.290 479 G C 0.165 175.129 174.900 0.107 0.000 1.442 479 G CA 0.664 45.833 45.100 0.115 0.000 0.792 479 G HN 2.678 nan 8.290 nan 0.000 0.491 480 G N 0.092 108.969 108.800 0.129 0.000 2.545 480 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.216 480 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.216 480 G C 0.501 175.429 174.900 0.046 0.000 1.314 480 G CA 0.681 45.840 45.100 0.099 0.000 0.906 480 G HN 0.818 nan 8.290 nan 0.000 0.563 481 D N -0.554 119.870 120.400 0.041 0.000 2.190 481 D HA -0.090 4.550 4.640 -0.000 0.000 0.200 481 D C 2.416 178.721 176.300 0.008 0.000 0.992 481 D CA 1.416 55.430 54.000 0.025 0.000 0.854 481 D CB -0.100 40.718 40.800 0.030 0.000 0.936 481 D HN 0.453 nan 8.370 nan 0.000 0.462 482 I N 0.126 120.690 120.570 -0.009 0.000 2.454 482 I HA -0.199 3.971 4.170 -0.000 0.000 0.254 482 I C 1.889 177.974 176.117 -0.052 0.000 1.156 482 I CA 0.903 62.181 61.300 -0.036 0.000 1.433 482 I CB 0.084 38.035 38.000 -0.082 0.000 1.082 482 I HN -0.163 nan 8.210 nan 0.000 0.432 483 V N 0.898 120.786 119.914 -0.045 0.000 2.871 483 V HA 0.133 4.253 4.120 -0.000 0.000 0.256 483 V C 1.914 178.015 176.094 0.011 0.000 1.082 483 V CA 1.096 63.373 62.300 -0.038 0.000 1.105 483 V CB -1.033 30.776 31.823 -0.024 0.000 0.713 483 V HN 0.691 nan 8.190 nan 0.000 0.473 484 G N -0.422 108.385 108.800 0.013 0.000 2.143 484 G HA2 -0.378 3.581 3.960 -0.000 0.000 0.249 484 G HA3 -0.378 3.581 3.960 -0.000 0.000 0.249 484 G C 0.722 175.625 174.900 0.005 0.000 0.981 484 G CA 0.840 45.947 45.100 0.010 0.000 0.665 484 G HN 0.411 nan 8.290 nan 0.000 0.528 485 M N -0.020 119.591 119.600 0.019 0.000 2.858 485 M HA 0.624 5.104 4.480 -0.000 0.000 0.255 485 M C 1.709 178.018 176.300 0.015 0.000 1.336 485 M CA 1.006 56.318 55.300 0.020 0.000 1.220 485 M CB 0.335 32.955 32.600 0.034 0.000 1.252 485 M HN 0.664 nan 8.290 nan 0.000 0.538 486 A N 2.038 124.872 122.820 0.023 0.000 2.511 486 A HA 0.080 4.400 4.320 -0.000 0.000 0.242 486 A C 0.184 177.777 177.584 0.016 0.000 1.069 486 A CA 0.111 52.164 52.037 0.026 0.000 0.763 486 A CB -0.082 18.942 19.000 0.040 0.000 1.001 486 A HN 0.693 nan 8.150 nan 0.000 0.498 487 N N -0.052 118.657 118.700 0.014 0.000 2.227 487 N HA 0.055 4.795 4.740 -0.000 0.000 0.196 487 N C 0.104 175.622 175.510 0.014 0.000 1.142 487 N CA 1.003 54.058 53.050 0.008 0.000 0.887 487 N CB 0.776 39.264 38.487 0.002 0.000 1.022 487 N HN 0.853 nan 8.380 nan 0.000 0.500 488 T N -3.441 111.124 114.554 0.018 0.000 2.838 488 T HA 0.313 4.662 4.350 -0.000 0.000 0.292 488 T C 1.000 175.714 174.700 0.024 0.000 1.113 488 T CA -0.487 61.624 62.100 0.018 0.000 1.008 488 T CB 1.802 70.677 68.868 0.012 0.000 1.259 488 T HN -0.257 nan 8.240 nan 0.000 0.520 489 T N 0.615 115.180 114.554 0.019 0.000 2.708 489 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 489 T C 2.011 176.722 174.700 0.018 0.000 1.037 489 T CA 1.427 63.539 62.100 0.020 0.000 1.146 489 T CB -0.360 68.513 68.868 0.009 0.000 0.865 489 T HN 0.504 nan 8.240 nan 0.000 0.435 490 V N 1.360 121.280 119.914 0.009 0.000 2.407 490 V HA -0.167 3.953 4.120 -0.000 0.000 0.248 490 V C 2.278 178.387 176.094 0.024 0.000 1.055 490 V CA 1.921 64.225 62.300 0.007 0.000 1.049 490 V CB -0.408 31.415 31.823 -0.000 0.000 0.662 490 V HN 0.532 nan 8.190 nan 0.000 0.455 491 E N -0.393 119.825 120.200 0.029 0.000 2.152 491 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 491 E C 2.361 178.994 176.600 0.054 0.000 0.983 491 E CA 1.320 57.742 56.400 0.038 0.000 0.818 491 E CB -0.105 29.615 29.700 0.033 0.000 0.758 491 E HN 0.597 nan 8.360 nan 0.000 0.467 492 S N 0.290 116.025 115.700 0.058 0.000 2.368 492 S HA -0.105 4.365 4.470 -0.000 0.000 0.224 492 S C 2.174 176.830 174.600 0.094 0.000 1.029 492 S CA 0.620 58.871 58.200 0.084 0.000 0.988 492 S CB -0.045 63.202 63.200 0.079 0.000 0.838 492 S HN 0.056 nan 8.310 nan 0.000 0.462 493 V N 2.692 122.646 119.914 0.067 0.000 2.295 493 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 493 V C 2.297 178.437 176.094 0.076 0.000 1.049 493 V CA 2.004 64.345 62.300 0.069 0.000 1.024 493 V CB -0.856 30.994 31.823 0.044 0.000 0.648 493 V HN 0.462 nan 8.190 nan 0.000 0.447 494 N N 0.205 118.939 118.700 0.057 0.000 2.223 494 N HA -0.179 4.561 4.740 -0.000 0.000 0.185 494 N C 1.461 176.999 175.510 0.046 0.000 1.016 494 N CA 1.500 54.572 53.050 0.036 0.000 0.863 494 N CB -0.220 38.286 38.487 0.032 0.000 0.983 494 N HN 0.433 nan 8.380 nan 0.000 0.429 495 D N -0.862 119.591 120.400 0.088 0.000 2.117 495 D HA -0.061 4.579 4.640 -0.000 0.000 0.197 495 D C 1.833 178.225 176.300 0.155 0.000 0.987 495 D CA 1.384 55.469 54.000 0.141 0.000 0.829 495 D CB -0.815 40.096 40.800 0.185 0.000 0.961 495 D HN 0.450 nan 8.370 nan 0.000 0.460 496 G N 0.605 109.457 108.800 0.087 0.000 2.408 496 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 496 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 496 G C 1.542 176.378 174.900 -0.106 0.000 1.150 496 G CA 0.819 45.831 45.100 -0.146 0.000 0.776 496 G HN 0.264 nan 8.290 nan 0.000 0.542 497 K N -0.164 120.205 120.400 -0.053 0.000 2.026 497 K HA -0.159 4.160 4.320 -0.000 0.000 0.208 497 K C 2.528 178.999 176.600 -0.215 0.000 1.048 497 K CA 1.718 57.830 56.287 -0.291 0.000 0.929 497 K CB -0.169 32.098 32.500 -0.388 0.000 0.713 497 K HN 0.281 nan 8.250 nan 0.000 0.439 498 Q N 0.433 120.203 119.800 -0.050 0.000 2.084 498 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 498 Q C 1.768 177.904 176.000 0.226 0.000 0.978 498 Q CA 2.110 57.971 55.803 0.096 0.000 0.844 498 Q CB -0.367 28.454 28.738 0.138 0.000 0.898 498 Q HN 0.429 nan 8.270 nan 0.000 0.426 499 A N -0.176 122.748 122.820 0.175 0.000 1.933 499 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 499 A C 2.244 179.813 177.584 -0.026 0.000 1.175 499 A CA 1.974 54.123 52.037 0.185 0.000 0.628 499 A CB -1.083 18.076 19.000 0.265 0.000 0.814 499 A HN 0.605 nan 8.150 nan 0.000 0.444 500 S N -1.280 114.378 115.700 -0.070 0.000 2.370 500 S HA -0.257 4.213 4.470 -0.000 0.000 0.226 500 S C 1.937 176.524 174.600 -0.023 0.000 1.033 500 S CA 1.327 59.478 58.200 -0.081 0.000 1.011 500 S CB -0.918 62.296 63.200 0.024 0.000 0.852 500 S HN 0.766 nan 8.310 nan 0.000 0.457 501 W N 1.232 122.453 121.300 -0.131 0.000 2.358 501 W HA -0.156 4.504 4.660 -0.000 0.000 0.303 501 W C 1.516 177.913 176.519 -0.204 0.000 1.208 501 W CA 1.206 58.448 57.345 -0.171 0.000 1.274 501 W CB -0.353 28.903 29.460 -0.339 0.000 1.138 501 W HN 0.378 nan 8.180 nan 0.000 0.515 502 Y N 0.347 120.632 120.300 -0.024 0.000 2.457 502 Y HA -0.085 4.465 4.550 -0.000 0.000 0.292 502 Y C 2.472 178.255 175.900 -0.194 0.000 1.125 502 Y CA 1.236 59.313 58.100 -0.037 0.000 1.254 502 Y CB -0.803 37.818 38.460 0.268 0.000 1.012 502 Y HN -0.143 nan 8.280 nan 0.000 0.555 503 I N -0.837 119.479 120.570 -0.424 0.000 2.252 503 I HA -0.315 3.855 4.170 -0.000 0.000 0.245 503 I C 2.503 178.493 176.117 -0.211 0.000 1.102 503 I CA 1.621 62.567 61.300 -0.590 0.000 1.385 503 I CB -0.324 37.288 38.000 -0.647 0.000 1.064 503 I HN 0.258 nan 8.210 nan 0.000 0.414 504 H N 1.671 120.523 119.070 -0.362 0.000 2.290 504 H HA -0.238 4.318 4.556 -0.000 0.000 0.298 504 H C 2.226 177.380 175.328 -0.291 0.000 1.087 504 H CA 2.180 58.040 56.048 -0.313 0.000 1.291 504 H CB -0.133 29.425 29.762 -0.339 0.000 1.369 504 H HN 0.104 nan 8.280 nan 0.000 0.492 505 K N -0.983 119.066 120.400 -0.585 0.000 2.032 505 K HA -0.251 4.069 4.320 -0.000 0.000 0.209 505 K C 2.226 178.729 176.600 -0.163 0.000 1.048 505 K CA 1.700 57.698 56.287 -0.481 0.000 0.927 505 K CB -0.523 31.771 32.500 -0.342 0.000 0.712 505 K HN 0.414 nan 8.250 nan 0.000 0.441 506 Y N 1.564 121.827 120.300 -0.063 0.000 2.114 506 Y HA -0.202 4.348 4.550 -0.000 0.000 0.284 506 Y C 1.869 177.799 175.900 0.050 0.000 1.143 506 Y CA 1.784 59.931 58.100 0.079 0.000 1.135 506 Y CB -0.279 38.343 38.460 0.270 0.000 0.980 506 Y HN 0.023 nan 8.280 nan 0.000 0.499 507 I N 0.100 120.613 120.570 -0.096 0.000 2.163 507 I HA -0.356 3.814 4.170 -0.000 0.000 0.243 507 I C 2.451 178.519 176.117 -0.082 0.000 1.085 507 I CA 1.393 62.638 61.300 -0.092 0.000 1.347 507 I CB -0.582 37.428 38.000 0.016 0.000 1.044 507 I HN 0.311 nan 8.210 nan 0.000 0.408 508 Q N 0.691 120.376 119.800 -0.192 0.000 2.096 508 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 508 Q C 2.458 178.391 176.000 -0.112 0.000 0.982 508 Q CA 2.031 57.711 55.803 -0.205 0.000 0.850 508 Q CB -0.602 27.914 28.738 -0.370 0.000 0.901 508 Q HN 0.599 nan 8.270 nan 0.000 0.422 509 A N 1.053 123.777 122.820 -0.160 0.000 1.902 509 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 509 A C 2.063 179.561 177.584 -0.143 0.000 1.181 509 A CA 1.297 53.258 52.037 -0.127 0.000 0.623 509 A CB -0.372 18.560 19.000 -0.114 0.000 0.818 509 A HN 0.257 nan 8.150 nan 0.000 0.443 510 Q N -1.429 118.227 119.800 -0.240 0.000 2.226 510 Q HA -0.150 4.189 4.340 -0.000 0.000 0.204 510 Q C 0.727 176.593 176.000 -0.224 0.000 0.975 510 Q CA 1.286 56.928 55.803 -0.268 0.000 0.866 510 Q CB -0.297 28.218 28.738 -0.370 0.000 0.915 510 Q HN 0.873 nan 8.270 nan 0.000 0.440 511 Y N -0.619 119.587 120.300 -0.156 0.000 2.532 511 Y HA 0.271 4.821 4.550 -0.000 0.000 0.283 511 Y C 1.317 177.167 175.900 -0.085 0.000 1.181 511 Y CA 0.292 58.329 58.100 -0.106 0.000 1.256 511 Y CB 0.411 38.810 38.460 -0.102 0.000 1.112 511 Y HN 0.205 nan 8.280 nan 0.000 0.521 512 G N 0.248 109.054 108.800 0.010 0.000 2.160 512 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.251 512 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.251 512 G C 0.090 174.994 174.900 0.006 0.000 1.008 512 G CA 0.159 45.257 45.100 -0.002 0.000 0.724 512 G HN 0.645 nan 8.290 nan 0.000 0.514 513 A N -0.459 122.360 122.820 -0.003 0.000 2.355 513 A HA 0.953 5.273 4.320 -0.000 0.000 0.324 513 A C 0.385 177.943 177.584 -0.043 0.000 1.117 513 A CA 0.558 52.586 52.037 -0.015 0.000 0.785 513 A CB 1.460 20.448 19.000 -0.020 0.000 1.254 513 A HN 1.825 nan 8.150 nan 0.000 0.453 514 S N 0.135 115.822 115.700 -0.022 0.000 2.690 514 S HA 0.804 5.274 4.470 -0.000 0.000 0.291 514 S C 0.034 174.619 174.600 -0.025 0.000 1.138 514 S CA 0.012 58.200 58.200 -0.021 0.000 1.013 514 S CB 1.172 64.381 63.200 0.015 0.000 1.053 514 S HN 1.994 nan 8.310 nan 0.000 0.539 515 V N -1.187 118.716 119.914 -0.019 0.000 3.074 515 V HA 0.831 4.951 4.120 -0.000 0.000 0.314 515 V C 0.158 176.354 176.094 0.169 0.000 1.117 515 V CA -0.776 61.544 62.300 0.034 0.000 1.014 515 V CB 1.151 32.873 31.823 -0.168 0.000 1.057 515 V HN 1.258 nan 8.190 nan 0.000 0.438 516 S N 1.755 117.626 115.700 0.284 0.000 2.558 516 S HA 0.360 4.830 4.470 -0.000 0.000 0.288 516 S C 1.302 176.077 174.600 0.291 0.000 1.318 516 S CA 0.163 58.519 58.200 0.260 0.000 1.056 516 S CB 0.942 64.292 63.200 0.250 0.000 0.853 516 S HN 2.000 nan 8.310 nan 0.000 0.505 517 A N 2.239 125.168 122.820 0.182 0.000 2.015 517 A HA 0.044 4.363 4.320 -0.000 0.000 0.219 517 A C 1.145 178.805 177.584 0.127 0.000 1.163 517 A CA 1.029 53.165 52.037 0.164 0.000 0.646 517 A CB -0.325 18.741 19.000 0.109 0.000 0.806 517 A HN 0.845 nan 8.150 nan 0.000 0.448 518 K N 0.902 121.339 120.400 0.062 0.000 2.234 518 K HA 0.370 4.690 4.320 -0.000 0.000 0.277 518 K C -2.941 173.495 176.600 -0.275 0.000 1.038 518 K CA -2.521 53.725 56.287 -0.070 0.000 0.888 518 K CB 0.874 33.343 32.500 -0.053 0.000 1.091 518 K HN -0.049 nan 8.250 nan 0.000 0.467 519 P HA -0.081 nan 4.420 nan 0.000 0.262 519 P C -1.265 175.433 177.300 -1.004 0.000 1.182 519 P CA 0.546 62.734 63.100 -1.520 0.000 0.761 519 P CB 0.364 31.338 31.700 -1.209 0.000 0.795 520 E N 2.892 122.401 120.200 -1.150 0.000 3.898 520 E HA 0.191 4.540 4.350 -0.000 0.000 0.219 520 E C -0.431 176.143 176.600 -0.042 0.000 1.207 520 E CA -0.301 55.912 56.400 -0.311 0.000 1.240 520 E CB 0.292 29.980 29.700 -0.020 0.000 1.239 520 E HN 0.373 nan 8.360 nan 0.000 0.422 521 L N 2.262 123.434 121.223 -0.085 0.000 2.416 521 L HA 0.257 4.597 4.340 -0.000 0.000 0.272 521 L C -1.914 175.067 176.870 0.185 0.000 1.161 521 L CA -1.648 53.272 54.840 0.133 0.000 0.845 521 L CB -0.081 41.992 42.059 0.024 0.000 1.119 521 L HN 0.032 nan 8.230 nan 0.000 0.464 522 P HA 0.213 nan 4.420 nan 0.000 0.272 522 P C -0.293 177.177 177.300 0.284 0.000 1.230 522 P CA -0.431 62.826 63.100 0.261 0.000 0.788 522 P CB 0.661 32.506 31.700 0.243 0.000 0.949 523 L N 0.539 121.910 121.223 0.246 0.000 2.543 523 L HA 0.350 4.690 4.340 -0.000 0.000 0.231 523 L C 0.589 177.473 176.870 0.024 0.000 1.194 523 L CA -0.586 54.287 54.840 0.055 0.000 0.823 523 L CB -0.013 41.928 42.059 -0.196 0.000 1.374 523 L HN 0.289 nan 8.230 nan 0.000 0.507 524 F N 0.048 119.832 119.950 -0.278 0.000 2.404 524 F HA 0.433 4.960 4.527 -0.000 0.000 0.345 524 F C -0.811 174.751 175.800 -0.396 0.000 1.110 524 F CA -0.349 57.527 58.000 -0.207 0.000 1.130 524 F CB 0.443 39.346 39.000 -0.162 0.000 1.129 524 F HN 0.038 nan 8.300 nan 0.000 0.500 525 Y N 2.353 122.295 120.300 -0.597 0.000 2.536 525 Y HA 0.621 5.171 4.550 -0.000 0.000 0.347 525 Y C 0.199 175.782 175.900 -0.529 0.000 1.000 525 Y CA -0.761 57.100 58.100 -0.398 0.000 1.051 525 Y CB 2.217 40.551 38.460 -0.210 0.000 1.259 525 Y HN 0.679 nan 8.280 nan 0.000 0.468 526 T N -2.611 111.903 114.554 -0.067 0.000 2.812 526 T HA 0.401 4.751 4.350 -0.000 0.000 0.294 526 T C -2.667 171.990 174.700 -0.072 0.000 1.159 526 T CA -2.378 59.681 62.100 -0.069 0.000 1.008 526 T CB 1.940 70.861 68.868 0.089 0.000 1.289 526 T HN 0.189 nan 8.240 nan 0.000 0.514 527 P HA 0.010 nan 4.420 nan 0.000 0.222 527 P C 1.666 178.803 177.300 -0.271 0.000 1.147 527 P CA 0.375 63.389 63.100 -0.143 0.000 0.790 527 P CB -0.132 31.528 31.700 -0.067 0.000 0.780 528 V N 0.528 120.118 119.914 -0.540 0.000 2.392 528 V HA -0.245 3.875 4.120 -0.000 0.000 0.249 528 V C 1.757 177.729 176.094 -0.203 0.000 1.059 528 V CA 2.049 63.983 62.300 -0.609 0.000 1.051 528 V CB -1.184 30.026 31.823 -1.023 0.000 0.658 528 V HN 0.164 nan 8.190 nan 0.000 0.455 529 D N 0.116 120.485 120.400 -0.052 0.000 2.309 529 D HA -0.083 4.557 4.640 -0.000 0.000 0.212 529 D C 1.873 178.208 176.300 0.058 0.000 0.968 529 D CA 0.956 55.003 54.000 0.078 0.000 0.882 529 D CB -0.071 40.849 40.800 0.199 0.000 0.918 529 D HN 0.396 nan 8.370 nan 0.000 0.503 530 L N 0.400 121.635 121.223 0.020 0.000 2.554 530 L HA 0.049 4.388 4.340 -0.000 0.000 0.226 530 L C 0.595 177.489 176.870 0.041 0.000 1.137 530 L CA -0.085 54.772 54.840 0.027 0.000 0.863 530 L CB 0.125 42.193 42.059 0.015 0.000 0.985 530 L HN -0.213 nan 8.230 nan 0.000 0.451 531 V N 1.242 121.184 119.914 0.047 0.000 2.599 531 V HA -0.095 4.025 4.120 -0.000 0.000 0.300 531 V C 0.389 176.520 176.094 0.062 0.000 1.034 531 V CA 0.156 62.496 62.300 0.067 0.000 1.115 531 V CB 0.668 32.540 31.823 0.081 0.000 0.934 531 V HN 0.135 nan 8.190 nan 0.000 0.485 532 D N 5.184 125.618 120.400 0.056 0.000 2.317 532 D HA 0.206 4.846 4.640 -0.000 0.000 0.252 532 D C 0.554 176.888 176.300 0.057 0.000 1.174 532 D CA -0.286 53.746 54.000 0.053 0.000 0.866 532 D CB 1.067 41.892 40.800 0.042 0.000 1.127 532 D HN 0.596 nan 8.370 nan 0.000 0.467 533 I N 0.974 121.586 120.570 0.069 0.000 3.762 533 I HA 0.200 4.370 4.170 -0.000 0.000 0.333 533 I C 0.365 176.521 176.117 0.065 0.000 1.566 533 I CA -0.730 60.612 61.300 0.069 0.000 1.129 533 I CB 0.151 38.216 38.000 0.108 0.000 1.218 533 I HN 0.074 nan 8.210 nan 0.000 0.456 534 S N 0.891 116.630 115.700 0.065 0.000 2.603 534 S HA 0.671 5.141 4.470 -0.000 0.000 0.268 534 S C -0.306 174.328 174.600 0.057 0.000 1.317 534 S CA -0.444 57.804 58.200 0.080 0.000 1.012 534 S CB 2.463 65.709 63.200 0.076 0.000 0.926 534 S HN 0.300 nan 8.310 nan 0.000 0.539 535 V N 0.510 120.474 119.914 0.084 0.000 3.048 535 V HA 0.568 4.688 4.120 -0.000 0.000 0.303 535 V C -1.463 174.707 176.094 0.127 0.000 1.214 535 V CA -0.671 61.655 62.300 0.045 0.000 0.984 535 V CB 2.051 33.840 31.823 -0.057 0.000 1.054 535 V HN 1.128 nan 8.190 nan 0.000 0.430 536 E N 5.275 125.526 120.200 0.085 0.000 2.183 536 E HA 0.677 5.027 4.350 -0.000 0.000 0.271 536 E C -1.162 175.491 176.600 0.089 0.000 0.919 536 E CA -0.728 55.747 56.400 0.126 0.000 0.781 536 E CB 1.779 31.521 29.700 0.070 0.000 1.140 536 E HN 0.757 nan 8.360 nan 0.000 0.402 537 M N 3.451 123.149 119.600 0.164 0.000 2.322 537 M HA 0.412 4.892 4.480 -0.000 0.000 0.286 537 M C -0.952 175.437 176.300 0.149 0.000 1.111 537 M CA -0.060 55.288 55.300 0.080 0.000 0.941 537 M CB 1.712 34.264 32.600 -0.079 0.000 1.671 537 M HN 0.741 nan 8.290 nan 0.000 0.470 538 A N 2.949 125.827 122.820 0.098 0.000 2.783 538 A HA -0.043 4.277 4.320 -0.000 0.000 0.292 538 A C 1.162 178.807 177.584 0.101 0.000 1.495 538 A CA 1.742 53.854 52.037 0.125 0.000 0.787 538 A CB -2.605 16.555 19.000 0.266 0.000 1.017 538 A HN 2.479 nan 8.150 nan 0.000 0.516 539 G N -3.158 105.687 108.800 0.074 0.000 2.179 539 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.260 539 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.260 539 G C 0.093 175.013 174.900 0.033 0.000 0.977 539 G CA 0.578 45.706 45.100 0.046 0.000 0.641 539 G HN 1.470 nan 8.290 nan 0.000 0.533 540 L N 0.058 121.316 121.223 0.058 0.000 2.322 540 L HA 0.569 4.909 4.340 -0.000 0.000 0.279 540 L C 0.427 177.269 176.870 -0.048 0.000 1.036 540 L CA -0.844 53.965 54.840 -0.052 0.000 0.807 540 L CB 1.568 43.545 42.059 -0.137 0.000 1.226 540 L HN -0.044 nan 8.230 nan 0.000 0.433 541 K N 2.787 123.093 120.400 -0.157 0.000 2.240 541 K HA 0.487 4.807 4.320 -0.000 0.000 0.271 541 K C -1.370 175.124 176.600 -0.178 0.000 1.018 541 K CA -0.354 55.897 56.287 -0.060 0.000 0.874 541 K CB 1.168 33.647 32.500 -0.036 0.000 1.098 541 K HN 0.211 nan 8.250 nan 0.000 0.458 542 F N 3.350 123.292 119.950 -0.015 0.000 2.427 542 F HA 0.242 4.769 4.527 -0.000 0.000 0.346 542 F C 1.639 177.462 175.800 0.040 0.000 1.120 542 F CA -1.040 56.970 58.000 0.016 0.000 1.033 542 F CB 0.814 39.810 39.000 -0.006 0.000 1.126 542 F HN 0.468 nan 8.300 nan 0.000 0.462 543 I N 0.078 120.768 120.570 0.200 0.000 2.493 543 I HA -0.040 4.130 4.170 -0.000 0.000 0.254 543 I C -0.163 176.059 176.117 0.176 0.000 1.160 543 I CA 0.728 62.117 61.300 0.147 0.000 1.445 543 I CB -0.399 37.663 38.000 0.105 0.000 1.086 543 I HN 0.652 nan 8.210 nan 0.000 0.433 544 N N -0.564 118.283 118.700 0.245 0.000 2.591 544 N HA 0.361 5.100 4.740 -0.000 0.000 0.263 544 N C -2.603 173.035 175.510 0.212 0.000 1.308 544 N CA -1.661 51.521 53.050 0.219 0.000 0.837 544 N CB 0.965 39.618 38.487 0.276 0.000 1.548 544 N HN -0.290 nan 8.380 nan 0.000 0.493 545 P HA 0.121 nan 4.420 nan 0.000 0.245 545 P C -0.871 176.316 177.300 -0.188 0.000 1.212 545 P CA 0.402 63.358 63.100 -0.239 0.000 0.774 545 P CB -0.179 31.239 31.700 -0.470 0.000 0.999 546 F N 0.818 120.908 119.950 0.234 0.000 2.408 546 F HA 0.639 5.166 4.527 -0.000 0.000 0.344 546 F C 1.320 177.182 175.800 0.102 0.000 1.112 546 F CA -0.297 57.808 58.000 0.175 0.000 1.096 546 F CB 1.545 40.556 39.000 0.018 0.000 1.129 546 F HN -0.142 nan 8.300 nan 0.000 0.486 547 G N 2.503 111.209 108.800 -0.156 0.000 2.672 547 G HA2 0.643 4.603 3.960 -0.000 0.000 0.292 547 G HA3 0.643 4.603 3.960 -0.000 0.000 0.292 547 G C -1.764 172.863 174.900 -0.454 0.000 1.375 547 G CA -0.998 43.516 45.100 -0.978 0.000 0.890 547 G HN 0.523 nan 8.290 nan 0.000 0.476 548 L N 1.327 122.218 121.223 -0.554 0.000 2.290 548 L HA 0.544 4.884 4.340 -0.000 0.000 0.284 548 L C 1.122 177.854 176.870 -0.229 0.000 1.078 548 L CA -0.652 53.899 54.840 -0.482 0.000 0.815 548 L CB 1.316 43.027 42.059 -0.579 0.000 1.162 548 L HN 0.682 nan 8.230 nan 0.000 0.435 549 A N 2.620 125.361 122.820 -0.131 0.000 2.327 549 A HA 0.209 4.529 4.320 -0.000 0.000 0.255 549 A C 0.474 178.031 177.584 -0.045 0.000 1.099 549 A CA -0.270 51.744 52.037 -0.039 0.000 0.801 549 A CB 0.563 19.551 19.000 -0.020 0.000 1.062 549 A HN 0.634 nan 8.150 nan 0.000 0.496 550 S N -0.013 115.678 115.700 -0.015 0.000 2.437 550 S HA 0.502 4.972 4.470 -0.000 0.000 0.304 550 S C 0.130 174.709 174.600 -0.035 0.000 1.167 550 S CA 0.453 58.630 58.200 -0.038 0.000 1.106 550 S CB -1.214 61.968 63.200 -0.030 0.000 1.099 550 S HN 1.839 nan 8.310 nan 0.000 0.524 551 A N 4.121 126.917 122.820 -0.040 0.000 2.809 551 A HA 0.796 5.116 4.320 -0.000 0.000 0.310 551 A C 0.947 178.516 177.584 -0.025 0.000 1.138 551 A CA -0.091 51.926 52.037 -0.033 0.000 0.610 551 A CB -0.533 18.441 19.000 -0.045 0.000 1.432 551 A HN 1.169 nan 8.150 nan 0.000 0.597 552 A N -0.372 122.420 122.820 -0.047 0.000 1.917 552 A HA 0.019 4.339 4.320 -0.000 0.000 0.219 552 A C -0.477 177.085 177.584 -0.037 0.000 1.182 552 A CA 2.673 54.680 52.037 -0.051 0.000 0.633 552 A CB -1.864 17.071 19.000 -0.108 0.000 0.819 552 A HN 0.483 nan 8.150 nan 0.000 0.448 553 P HA -0.046 nan 4.420 nan 0.000 0.228 553 P C 0.729 178.075 177.300 0.076 0.000 1.151 553 P CA 1.683 64.777 63.100 -0.009 0.000 0.770 553 P CB -0.078 31.607 31.700 -0.025 0.000 0.786 554 T N -6.644 107.935 114.554 0.041 0.000 3.293 554 T HA 0.184 4.534 4.350 -0.000 0.000 0.276 554 T C 1.115 175.958 174.700 0.239 0.000 1.003 554 T CA -0.229 61.926 62.100 0.091 0.000 0.916 554 T CB -0.965 67.899 68.868 -0.005 0.000 1.134 554 T HN -0.159 nan 8.240 nan 0.000 0.530 555 T N 2.075 116.742 114.554 0.188 0.000 2.759 555 T HA 0.027 4.377 4.350 -0.000 0.000 0.269 555 T C 0.674 175.558 174.700 0.307 0.000 1.042 555 T CA 0.969 63.200 62.100 0.218 0.000 1.140 555 T CB -0.035 68.886 68.868 0.088 0.000 0.864 555 T HN 0.497 nan 8.240 nan 0.000 0.455 556 S N -0.201 115.647 115.700 0.245 0.000 2.548 556 S HA 0.356 4.826 4.470 -0.000 0.000 0.286 556 S C 1.176 175.873 174.600 0.163 0.000 1.098 556 S CA -0.644 57.645 58.200 0.147 0.000 0.930 556 S CB 2.048 65.282 63.200 0.057 0.000 1.070 556 S HN 0.370 nan 8.310 nan 0.000 0.480 557 S N 1.450 117.159 115.700 0.015 0.000 2.419 557 S HA -0.144 4.326 4.470 -0.000 0.000 0.233 557 S C 1.933 176.510 174.600 -0.038 0.000 1.016 557 S CA 1.384 59.571 58.200 -0.023 0.000 0.974 557 S CB -0.682 62.356 63.200 -0.271 0.000 0.786 557 S HN 0.801 nan 8.310 nan 0.000 0.492 558 S N 2.187 117.881 115.700 -0.010 0.000 2.419 558 S HA -0.038 4.432 4.470 -0.000 0.000 0.233 558 S C 1.881 176.480 174.600 -0.002 0.000 1.016 558 S CA 1.245 59.446 58.200 0.001 0.000 0.974 558 S CB -0.740 62.475 63.200 0.025 0.000 0.786 558 S HN 0.533 nan 8.310 nan 0.000 0.492 559 M N 0.875 120.491 119.600 0.027 0.000 2.156 559 M HA 0.144 4.624 4.480 -0.000 0.000 0.264 559 M C 2.137 178.319 176.300 -0.198 0.000 1.067 559 M CA 1.313 56.665 55.300 0.086 0.000 1.131 559 M CB -0.564 32.155 32.600 0.200 0.000 1.368 559 M HN 0.272 nan 8.290 nan 0.000 0.416 560 I N -0.240 120.161 120.570 -0.282 0.000 2.286 560 I HA -0.294 3.876 4.170 -0.000 0.000 0.248 560 I C 2.681 178.301 176.117 -0.829 0.000 1.115 560 I CA 1.214 62.128 61.300 -0.645 0.000 1.392 560 I CB -0.506 37.185 38.000 -0.516 0.000 1.065 560 I HN 0.321 nan 8.210 nan 0.000 0.418 561 R N 1.418 121.644 120.500 -0.456 0.000 2.083 561 R HA -0.176 4.164 4.340 -0.000 0.000 0.237 561 R C 2.436 178.554 176.300 -0.304 0.000 1.137 561 R CA 1.589 57.482 56.100 -0.345 0.000 0.951 561 R CB -0.156 30.140 30.300 -0.006 0.000 0.851 561 R HN 0.257 nan 8.270 nan 0.000 0.434 562 R N -0.203 120.176 120.500 -0.202 0.000 2.115 562 R HA -0.051 4.289 4.340 -0.000 0.000 0.230 562 R C 2.307 178.454 176.300 -0.255 0.000 1.111 562 R CA 1.139 57.180 56.100 -0.098 0.000 0.976 562 R CB -0.227 30.117 30.300 0.073 0.000 0.870 562 R HN 0.311 nan 8.270 nan 0.000 0.445 563 A N 0.799 123.196 122.820 -0.705 0.000 1.898 563 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 563 A C 1.745 179.249 177.584 -0.132 0.000 1.181 563 A CA 1.078 52.617 52.037 -0.830 0.000 0.620 563 A CB -0.454 17.651 19.000 -1.491 0.000 0.819 563 A HN 0.145 nan 8.150 nan 0.000 0.442 564 F N 0.437 120.159 119.950 -0.381 0.000 2.186 564 F HA -0.069 4.458 4.527 -0.000 0.000 0.299 564 F C 2.344 178.038 175.800 -0.178 0.000 1.090 564 F CA 1.088 58.867 58.000 -0.368 0.000 1.307 564 F CB -1.018 37.385 39.000 -0.994 0.000 1.019 564 F HN 0.372 nan 8.300 nan 0.000 0.489 565 E N -0.185 120.042 120.200 0.046 0.000 2.153 565 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 565 E C 2.330 179.022 176.600 0.153 0.000 0.988 565 E CA 0.995 57.504 56.400 0.181 0.000 0.811 565 E CB -0.242 29.565 29.700 0.178 0.000 0.746 565 E HN 0.304 nan 8.360 nan 0.000 0.466 566 A N -0.007 122.896 122.820 0.138 0.000 2.014 566 A HA 0.098 4.418 4.320 -0.000 0.000 0.218 566 A C 1.859 179.505 177.584 0.104 0.000 1.163 566 A CA 1.347 53.471 52.037 0.144 0.000 0.652 566 A CB -0.082 19.050 19.000 0.221 0.000 0.808 566 A HN 0.383 nan 8.150 nan 0.000 0.449 567 G N -3.742 105.146 108.800 0.147 0.000 2.227 567 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.168 567 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.168 567 G C -0.228 174.735 174.900 0.105 0.000 1.006 567 G CA -0.351 44.804 45.100 0.091 0.000 0.684 567 G HN 0.299 nan 8.290 nan 0.000 0.489 568 W N 1.015 122.370 121.300 0.092 0.000 2.223 568 W HA 0.458 5.118 4.660 -0.000 0.000 0.334 568 W C 1.594 178.230 176.519 0.195 0.000 1.334 568 W CA 1.121 58.547 57.345 0.135 0.000 1.246 568 W CB 0.892 30.386 29.460 0.057 0.000 1.184 568 W HN 0.197 nan 8.180 nan 0.000 0.563 569 G N 2.431 111.496 108.800 0.442 0.000 2.408 569 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.217 569 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.217 569 G C -0.146 175.081 174.900 0.544 0.000 1.150 569 G CA 0.922 46.289 45.100 0.444 0.000 0.776 569 G HN 0.503 nan 8.290 nan 0.000 0.542 570 F N -2.382 117.858 119.950 0.484 0.000 2.789 570 F HA 0.822 5.349 4.527 -0.000 0.000 0.319 570 F C -0.690 175.425 175.800 0.526 0.000 1.168 570 F CA -1.570 56.718 58.000 0.479 0.000 0.934 570 F CB 1.223 40.515 39.000 0.487 0.000 1.375 570 F HN 0.267 nan 8.300 nan 0.000 0.480 571 A N 1.523 124.674 122.820 0.551 0.000 2.589 571 A HA 0.681 5.001 4.320 -0.000 0.000 0.296 571 A C -2.387 175.344 177.584 0.245 0.000 1.062 571 A CA -0.732 51.398 52.037 0.154 0.000 0.686 571 A CB 1.618 20.531 19.000 -0.146 0.000 1.282 571 A HN 0.800 nan 8.150 nan 0.000 0.404 572 L N 2.154 123.442 121.223 0.109 0.000 2.322 572 L HA 0.581 4.920 4.340 -0.000 0.000 0.279 572 L C 1.111 177.961 176.870 -0.033 0.000 1.036 572 L CA -0.064 54.836 54.840 0.100 0.000 0.807 572 L CB 1.567 43.681 42.059 0.090 0.000 1.226 572 L HN 1.060 nan 8.230 nan 0.000 0.433 573 T N -0.032 114.464 114.554 -0.098 0.000 2.868 573 T HA 0.237 4.587 4.350 -0.000 0.000 0.292 573 T C 0.145 174.560 174.700 -0.475 0.000 1.028 573 T CA -0.728 61.110 62.100 -0.436 0.000 1.059 573 T CB 1.298 69.797 68.868 -0.615 0.000 0.991 573 T HN 0.408 nan 8.240 nan 0.000 0.531 574 K N 1.147 121.138 120.400 -0.681 0.000 2.414 574 K HA 0.163 4.483 4.320 -0.000 0.000 0.272 574 K C -0.023 176.371 176.600 -0.343 0.000 0.993 574 K CA 0.084 56.190 56.287 -0.301 0.000 0.964 574 K CB -0.249 32.237 32.500 -0.023 0.000 0.925 574 K HN 0.715 nan 8.250 nan 0.000 0.487 575 T N 5.270 119.730 114.554 -0.158 0.000 2.867 575 T HA 0.211 4.561 4.350 -0.000 0.000 0.297 575 T C -0.252 174.407 174.700 -0.068 0.000 0.989 575 T CA 0.323 62.330 62.100 -0.155 0.000 1.159 575 T CB -0.577 68.238 68.868 -0.088 0.000 0.928 575 T HN 0.444 nan 8.240 nan 0.000 0.538 576 F N 0.623 120.465 119.950 -0.180 0.000 2.618 576 F HA 0.883 5.410 4.527 -0.000 0.000 0.332 576 F C 0.123 175.896 175.800 -0.045 0.000 1.061 576 F CA -1.265 56.697 58.000 -0.063 0.000 0.974 576 F CB 1.328 40.333 39.000 0.008 0.000 1.310 576 F HN 0.549 nan 8.300 nan 0.000 0.491 577 S N 0.694 116.523 115.700 0.214 0.000 2.794 577 S HA 0.695 5.165 4.470 -0.000 0.000 0.299 577 S C -1.034 173.641 174.600 0.125 0.000 1.179 577 S CA -1.124 57.098 58.200 0.035 0.000 0.838 577 S CB 1.040 64.211 63.200 -0.049 0.000 1.206 577 S HN 0.857 nan 8.310 nan 0.000 0.523 578 L N 1.585 122.817 121.223 0.015 0.000 2.452 578 L HA 0.240 4.580 4.340 -0.000 0.000 0.267 578 L C 0.960 177.852 176.870 0.037 0.000 1.188 578 L CA -0.446 54.411 54.840 0.029 0.000 0.821 578 L CB 0.125 42.166 42.059 -0.031 0.000 1.102 578 L HN 0.710 nan 8.230 nan 0.000 0.470 579 D N 0.761 121.185 120.400 0.040 0.000 2.158 579 D HA -0.205 4.435 4.640 -0.000 0.000 0.197 579 D C 1.875 178.183 176.300 0.015 0.000 0.995 579 D CA 1.624 55.643 54.000 0.032 0.000 0.846 579 D CB -0.021 40.793 40.800 0.024 0.000 0.941 579 D HN 0.552 nan 8.370 nan 0.000 0.456 580 K N 0.239 120.640 120.400 0.002 0.000 2.360 580 K HA -0.099 4.221 4.320 -0.000 0.000 0.201 580 K C 0.357 176.953 176.600 -0.007 0.000 1.046 580 K CA 1.135 57.419 56.287 -0.006 0.000 0.945 580 K CB 0.142 32.633 32.500 -0.015 0.000 0.750 580 K HN -0.005 nan 8.250 nan 0.000 0.464 581 D N 1.143 121.538 120.400 -0.008 0.000 2.368 581 D HA 0.128 4.768 4.640 -0.000 0.000 0.218 581 D C 0.189 176.493 176.300 0.007 0.000 1.112 581 D CA -0.229 53.765 54.000 -0.010 0.000 0.834 581 D CB 0.224 41.003 40.800 -0.035 0.000 0.953 581 D HN 0.109 nan 8.370 nan 0.000 0.505 582 I N 2.485 123.066 120.570 0.017 0.000 2.989 582 I HA -0.136 4.034 4.170 -0.000 0.000 0.311 582 I C 0.942 177.070 176.117 0.019 0.000 1.221 582 I CA 0.711 62.026 61.300 0.026 0.000 1.449 582 I CB -0.181 37.830 38.000 0.018 0.000 1.325 582 I HN -0.147 nan 8.210 nan 0.000 0.557 583 V N 4.090 124.019 119.914 0.025 0.000 3.096 583 V HA 0.794 4.914 4.120 -0.000 0.000 0.319 583 V C -0.061 176.040 176.094 0.012 0.000 1.103 583 V CA -0.500 61.810 62.300 0.017 0.000 1.016 583 V CB 2.162 33.998 31.823 0.021 0.000 1.090 583 V HN 0.762 nan 8.190 nan 0.000 0.449 584 T N 2.633 117.190 114.554 0.005 0.000 2.949 584 T HA 0.435 4.785 4.350 -0.000 0.000 0.300 584 T C -0.488 174.210 174.700 -0.005 0.000 0.988 584 T CA -0.427 61.672 62.100 -0.002 0.000 0.993 584 T CB 0.816 69.681 68.868 -0.005 0.000 0.984 584 T HN 0.824 nan 8.240 nan 0.000 0.442 585 N N 1.645 120.341 118.700 -0.007 0.000 2.399 585 N HA 0.441 5.181 4.740 -0.000 0.000 0.250 585 N C 0.326 175.824 175.510 -0.019 0.000 1.272 585 N CA -0.260 52.782 53.050 -0.013 0.000 0.928 585 N CB 1.090 39.569 38.487 -0.014 0.000 1.158 585 N HN 0.532 nan 8.380 nan 0.000 0.463 586 V N -2.190 117.708 119.914 -0.027 0.000 3.177 586 V HA 0.896 5.016 4.120 -0.000 0.000 0.319 586 V C -0.076 175.993 176.094 -0.042 0.000 1.125 586 V CA -0.827 61.454 62.300 -0.032 0.000 1.029 586 V CB 1.552 33.353 31.823 -0.038 0.000 1.119 586 V HN 0.783 nan 8.190 nan 0.000 0.452 587 S N 0.186 115.859 115.700 -0.044 0.000 2.533 587 S HA 0.724 5.194 4.470 -0.000 0.000 0.271 587 S C -2.921 171.644 174.600 -0.059 0.000 1.143 587 S CA -0.985 57.183 58.200 -0.053 0.000 0.891 587 S CB 1.463 64.646 63.200 -0.028 0.000 1.105 587 S HN 1.053 nan 8.310 nan 0.000 0.468 588 P HA 0.408 nan 4.420 nan 0.000 0.272 588 P C -0.212 176.963 177.300 -0.209 0.000 1.230 588 P CA -0.557 62.441 63.100 -0.169 0.000 0.788 588 P CB 0.718 32.229 31.700 -0.315 0.000 0.949 589 R N 0.265 120.662 120.500 -0.172 0.000 2.551 589 R HA 0.411 4.751 4.340 -0.000 0.000 0.316 589 R C 0.085 176.312 176.300 -0.123 0.000 0.934 589 R CA -0.188 55.825 56.100 -0.145 0.000 1.117 589 R CB 0.190 30.438 30.300 -0.086 0.000 1.626 589 R HN 0.276 nan 8.270 nan 0.000 0.513 590 I N 2.750 123.253 120.570 -0.111 0.000 2.478 590 I HA 0.401 4.571 4.170 -0.000 0.000 0.287 590 I C -0.567 175.554 176.117 0.007 0.000 1.042 590 I CA -1.421 59.852 61.300 -0.044 0.000 1.067 590 I CB 2.312 40.284 38.000 -0.047 0.000 1.233 590 I HN -0.055 nan 8.210 nan 0.000 0.431 591 V N 3.113 123.066 119.914 0.064 0.000 3.001 591 V HA 0.683 4.803 4.120 -0.000 0.000 0.314 591 V C -0.174 176.093 176.094 0.289 0.000 1.099 591 V CA -1.075 61.322 62.300 0.162 0.000 0.989 591 V CB 1.881 33.699 31.823 -0.007 0.000 1.040 591 V HN 0.880 nan 8.190 nan 0.000 0.434 592 R N 1.853 122.514 120.500 0.268 0.000 2.641 592 R HA 0.633 4.973 4.340 -0.000 0.000 0.269 592 R C 0.371 176.651 176.300 -0.034 0.000 1.074 592 R CA 0.155 56.279 56.100 0.040 0.000 1.133 592 R CB 0.320 30.624 30.300 0.007 0.000 1.029 592 R HN 1.159 nan 8.270 nan 0.000 0.488 593 G N -0.213 108.461 108.800 -0.211 0.000 2.476 593 G HA2 0.236 4.196 3.960 -0.000 0.000 0.269 593 G HA3 0.236 4.196 3.960 -0.000 0.000 0.269 593 G C 0.458 175.286 174.900 -0.120 0.000 1.195 593 G CA -0.486 44.535 45.100 -0.130 0.000 0.843 593 G HN 0.756 nan 8.290 nan 0.000 0.545 594 T N -2.514 112.001 114.554 -0.066 0.000 3.134 594 T HA 0.053 4.403 4.350 -0.000 0.000 0.260 594 T C 1.914 176.572 174.700 -0.069 0.000 1.027 594 T CA 0.614 62.670 62.100 -0.072 0.000 0.913 594 T CB -0.031 68.825 68.868 -0.020 0.000 1.046 594 T HN 0.546 nan 8.240 nan 0.000 0.553 595 T N 0.311 114.822 114.554 -0.071 0.000 2.977 595 T HA -0.051 4.299 4.350 -0.000 0.000 0.271 595 T C 1.554 176.218 174.700 -0.061 0.000 1.105 595 T CA 0.984 63.051 62.100 -0.055 0.000 1.116 595 T CB -0.512 68.327 68.868 -0.049 0.000 0.878 595 T HN 0.579 nan 8.240 nan 0.000 0.509 596 S N -0.453 115.196 115.700 -0.085 0.000 2.941 596 S HA 0.616 5.086 4.470 -0.000 0.000 0.251 596 S C 0.846 175.392 174.600 -0.089 0.000 1.029 596 S CA -0.214 57.940 58.200 -0.077 0.000 1.062 596 S CB -0.016 63.138 63.200 -0.078 0.000 0.977 596 S HN 1.219 nan 8.310 nan 0.000 0.552 597 G N 2.780 111.525 108.800 -0.092 0.000 2.760 597 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.246 597 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.246 597 G C -2.807 171.998 174.900 -0.158 0.000 1.359 597 G CA -0.488 44.557 45.100 -0.092 0.000 0.861 597 G HN 0.321 nan 8.290 nan 0.000 0.541 598 P HA 0.257 nan 4.420 nan 0.000 0.225 598 P C -0.300 176.898 177.300 -0.170 0.000 1.768 598 P CA 0.260 63.266 63.100 -0.158 0.000 0.943 598 P CB -0.089 31.654 31.700 0.071 0.000 1.936 599 M N 2.050 121.454 119.600 -0.326 0.000 2.114 599 M HA 0.323 4.803 4.480 -0.000 0.000 0.332 599 M C -0.445 175.657 176.300 -0.330 0.000 1.014 599 M CA -0.702 54.494 55.300 -0.174 0.000 0.956 599 M CB 0.992 33.523 32.600 -0.114 0.000 1.551 599 M HN 0.031 nan 8.290 nan 0.000 0.427 600 Y N 0.463 120.752 120.300 -0.019 0.000 2.496 600 Y HA 0.779 5.329 4.550 -0.000 0.000 0.331 600 Y C 1.157 177.054 175.900 -0.005 0.000 1.140 600 Y CA 0.238 58.330 58.100 -0.012 0.000 1.166 600 Y CB 1.487 39.942 38.460 -0.009 0.000 1.249 600 Y HN 0.934 nan 8.280 nan 0.000 0.479 601 G N 0.774 109.671 108.800 0.161 0.000 2.475 601 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.223 601 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.223 601 G C -2.764 172.175 174.900 0.066 0.000 1.201 601 G CA -0.872 44.289 45.100 0.102 0.000 0.962 601 G HN 0.601 nan 8.290 nan 0.000 0.586 602 P HA 0.356 nan 4.420 nan 0.000 0.268 602 P C 0.873 178.190 177.300 0.028 0.000 1.208 602 P CA 1.932 65.059 63.100 0.045 0.000 0.777 602 P CB 0.154 31.874 31.700 0.033 0.000 0.875 603 G N 0.999 109.824 108.800 0.042 0.000 2.338 603 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.296 603 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.296 603 G C 0.165 175.043 174.900 -0.037 0.000 1.040 603 G CA -0.259 44.856 45.100 0.024 0.000 1.004 603 G HN 0.603 nan 8.290 nan 0.000 0.509 604 Q N 0.117 119.862 119.800 -0.092 0.000 2.330 604 Q HA 0.237 4.577 4.340 -0.000 0.000 0.279 604 Q C 1.843 177.697 176.000 -0.243 0.000 1.024 604 Q CA 0.722 56.369 55.803 -0.260 0.000 0.900 604 Q CB 0.967 29.369 28.738 -0.560 0.000 1.221 604 Q HN 0.744 nan 8.270 nan 0.000 0.396 605 S N 0.409 115.987 115.700 -0.203 0.000 2.555 605 S HA 0.020 4.490 4.470 -0.000 0.000 0.230 605 S C 0.623 175.144 174.600 -0.131 0.000 0.978 605 S CA 0.433 58.558 58.200 -0.124 0.000 0.934 605 S CB 0.021 63.167 63.200 -0.090 0.000 0.766 605 S HN 0.649 nan 8.310 nan 0.000 0.533 606 S N -1.116 114.421 115.700 -0.272 0.000 2.656 606 S HA 0.693 5.163 4.470 -0.000 0.000 0.265 606 S C -1.630 172.704 174.600 -0.443 0.000 1.110 606 S CA -1.161 56.922 58.200 -0.196 0.000 0.821 606 S CB 0.081 63.241 63.200 -0.066 0.000 1.099 606 S HN 0.175 nan 8.310 nan 0.000 0.471 607 F N -0.048 119.915 119.950 0.022 0.000 2.626 607 F HA 0.822 5.349 4.527 -0.000 0.000 0.311 607 F C -0.721 175.089 175.800 0.016 0.000 1.088 607 F CA -0.857 57.156 58.000 0.021 0.000 0.949 607 F CB 2.047 41.058 39.000 0.018 0.000 1.322 607 F HN 0.790 nan 8.300 nan 0.000 0.461 608 L N 2.636 123.987 121.223 0.213 0.000 2.386 608 L HA 0.658 4.998 4.340 -0.000 0.000 0.271 608 L C -1.482 175.433 176.870 0.074 0.000 0.993 608 L CA -0.334 54.573 54.840 0.111 0.000 0.819 608 L CB 1.818 43.919 42.059 0.070 0.000 1.294 608 L HN 0.838 nan 8.230 nan 0.000 0.414 609 N N 3.601 122.328 118.700 0.044 0.000 2.242 609 N HA 0.521 5.261 4.740 -0.000 0.000 0.292 609 N C -0.594 174.914 175.510 -0.004 0.000 1.125 609 N CA -0.861 52.191 53.050 0.003 0.000 0.783 609 N CB 1.712 40.199 38.487 -0.001 0.000 1.558 609 N HN 0.618 nan 8.380 nan 0.000 0.472 610 I N -2.846 117.706 120.570 -0.030 0.000 3.569 610 I HA 0.429 4.599 4.170 -0.000 0.000 0.334 610 I C -0.058 176.045 176.117 -0.024 0.000 1.570 610 I CA -0.630 60.656 61.300 -0.023 0.000 1.082 610 I CB 0.112 38.085 38.000 -0.045 0.000 1.323 610 I HN 0.561 nan 8.210 nan 0.000 0.489 611 E N 1.822 122.011 120.200 -0.019 0.000 2.349 611 E HA 0.488 4.838 4.350 -0.000 0.000 0.265 611 E C -0.572 176.028 176.600 -0.000 0.000 1.064 611 E CA -0.482 55.909 56.400 -0.015 0.000 0.886 611 E CB 1.310 30.999 29.700 -0.018 0.000 1.036 611 E HN 0.454 nan 8.360 nan 0.000 0.413 612 L N 3.207 124.433 121.223 0.005 0.000 2.874 612 L HA 0.452 4.792 4.340 -0.000 0.000 0.229 612 L C 0.965 177.848 176.870 0.021 0.000 1.200 612 L CA -1.121 53.727 54.840 0.014 0.000 0.976 612 L CB 0.135 42.203 42.059 0.014 0.000 1.887 612 L HN 0.623 nan 8.230 nan 0.000 0.543 613 I N -2.409 118.177 120.570 0.027 0.000 3.394 613 I HA 0.183 4.353 4.170 -0.000 0.000 0.264 613 I C 0.778 176.935 176.117 0.067 0.000 1.184 613 I CA -0.377 60.944 61.300 0.034 0.000 0.890 613 I CB 0.516 38.530 38.000 0.023 0.000 1.619 613 I HN 0.423 nan 8.210 nan 0.000 0.820 614 S N 0.135 115.902 115.700 0.112 0.000 2.552 614 S HA -0.009 4.461 4.470 -0.000 0.000 0.289 614 S C 0.759 175.459 174.600 0.166 0.000 1.304 614 S CA -0.035 58.287 58.200 0.203 0.000 1.063 614 S CB 0.098 63.548 63.200 0.417 0.000 0.848 614 S HN 0.705 nan 8.310 nan 0.000 0.499 615 E N 2.358 122.626 120.200 0.112 0.000 2.478 615 E HA 0.063 4.413 4.350 -0.000 0.000 0.194 615 E C 0.039 176.649 176.600 0.017 0.000 1.045 615 E CA 0.322 56.751 56.400 0.047 0.000 0.868 615 E CB 0.286 29.988 29.700 0.003 0.000 0.885 615 E HN 0.529 nan 8.360 nan 0.000 0.505 616 K N 1.577 122.003 120.400 0.044 0.000 2.144 616 K HA 0.133 4.453 4.320 -0.000 0.000 0.270 616 K C 0.316 176.964 176.600 0.080 0.000 1.005 616 K CA -0.286 55.925 56.287 -0.126 0.000 0.932 616 K CB 1.234 33.394 32.500 -0.568 0.000 1.021 616 K HN -0.021 nan 8.250 nan 0.000 0.462 617 T N -1.342 113.215 114.554 0.004 0.000 2.813 617 T HA 0.139 4.488 4.350 -0.000 0.000 0.297 617 T C 1.332 176.121 174.700 0.148 0.000 1.036 617 T CA -0.268 61.891 62.100 0.097 0.000 1.044 617 T CB 1.246 70.139 68.868 0.042 0.000 0.993 617 T HN 0.585 nan 8.240 nan 0.000 0.535 618 A N 1.296 124.205 122.820 0.147 0.000 1.972 618 A HA 0.205 4.525 4.320 -0.000 0.000 0.219 618 A C 2.630 180.187 177.584 -0.045 0.000 1.169 618 A CA 1.628 53.693 52.037 0.046 0.000 0.635 618 A CB -1.467 17.680 19.000 0.245 0.000 0.810 618 A HN 1.230 nan 8.150 nan 0.000 0.446 619 A N -1.173 121.656 122.820 0.015 0.000 1.902 619 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 619 A C 2.124 179.683 177.584 -0.043 0.000 1.181 619 A CA 1.618 53.651 52.037 -0.006 0.000 0.623 619 A CB -0.826 18.180 19.000 0.010 0.000 0.818 619 A HN 0.789 nan 8.150 nan 0.000 0.443 620 Y N -1.230 118.954 120.300 -0.192 0.000 2.114 620 Y HA -0.257 4.293 4.550 -0.000 0.000 0.284 620 Y C 2.170 177.842 175.900 -0.381 0.000 1.143 620 Y CA 1.957 59.872 58.100 -0.310 0.000 1.135 620 Y CB -0.536 37.666 38.460 -0.429 0.000 0.980 620 Y HN 0.421 nan 8.280 nan 0.000 0.499 621 W N -0.610 120.551 121.300 -0.232 0.000 2.363 621 W HA -0.195 4.465 4.660 -0.000 0.000 0.296 621 W C 2.686 178.945 176.519 -0.434 0.000 1.212 621 W CA 1.235 58.292 57.345 -0.479 0.000 1.260 621 W CB -0.756 28.130 29.460 -0.957 0.000 1.131 621 W HN 0.121 nan 8.180 nan 0.000 0.530 622 C N -1.126 118.081 119.300 -0.154 0.000 2.446 622 C HA -0.195 4.265 4.460 -0.000 0.000 0.277 622 C C 2.645 177.601 174.990 -0.056 0.000 1.275 622 C CA 1.267 60.256 59.018 -0.049 0.000 1.727 622 C CB -1.261 26.475 27.740 -0.007 0.000 2.010 622 C HN 0.428 nan 8.230 nan 0.000 0.486 623 Q N 0.733 120.460 119.800 -0.121 0.000 2.119 623 Q HA -0.163 4.177 4.340 -0.000 0.000 0.201 623 Q C 2.227 178.133 176.000 -0.156 0.000 0.972 623 Q CA 1.786 57.515 55.803 -0.122 0.000 0.847 623 Q CB -0.080 28.572 28.738 -0.144 0.000 0.903 623 Q HN 0.614 nan 8.270 nan 0.000 0.433 624 S N -0.229 115.298 115.700 -0.288 0.000 2.368 624 S HA -0.131 4.339 4.470 -0.000 0.000 0.225 624 S C 1.941 176.511 174.600 -0.050 0.000 1.030 624 S CA 1.286 59.316 58.200 -0.283 0.000 0.999 624 S CB -0.224 62.634 63.200 -0.569 0.000 0.844 624 S HN 0.259 nan 8.310 nan 0.000 0.459 625 V N 1.679 121.612 119.914 0.031 0.000 2.343 625 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 625 V C 2.511 178.663 176.094 0.096 0.000 1.051 625 V CA 2.108 64.479 62.300 0.118 0.000 1.036 625 V CB -1.325 30.588 31.823 0.151 0.000 0.654 625 V HN 0.512 nan 8.190 nan 0.000 0.451 626 T N -0.295 114.289 114.554 0.050 0.000 2.720 626 T HA -0.226 4.124 4.350 -0.000 0.000 0.268 626 T C 1.787 176.516 174.700 0.048 0.000 1.037 626 T CA 1.865 63.992 62.100 0.044 0.000 1.144 626 T CB -0.248 68.630 68.868 0.016 0.000 0.864 626 T HN 0.627 nan 8.240 nan 0.000 0.444 627 E N 0.752 120.971 120.200 0.032 0.000 2.051 627 E HA -0.047 4.303 4.350 -0.000 0.000 0.192 627 E C 2.287 178.962 176.600 0.124 0.000 0.991 627 E CA 0.882 57.309 56.400 0.044 0.000 0.799 627 E CB -0.317 29.387 29.700 0.006 0.000 0.748 627 E HN 0.393 nan 8.360 nan 0.000 0.449 628 L N 0.987 122.319 121.223 0.183 0.000 2.046 628 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 628 L C 2.441 179.544 176.870 0.388 0.000 1.077 628 L CA 1.032 56.092 54.840 0.368 0.000 0.747 628 L CB -0.345 41.914 42.059 0.334 0.000 0.896 628 L HN 0.027 nan 8.230 nan 0.000 0.432 629 K N -0.010 120.532 120.400 0.236 0.000 2.211 629 K HA -0.051 4.269 4.320 -0.000 0.000 0.203 629 K C 2.123 178.783 176.600 0.100 0.000 1.050 629 K CA 1.226 57.613 56.287 0.168 0.000 0.945 629 K CB -0.145 32.426 32.500 0.118 0.000 0.732 629 K HN 0.282 nan 8.250 nan 0.000 0.451 630 A N 1.662 124.527 122.820 0.075 0.000 1.929 630 A HA -0.136 4.183 4.320 -0.000 0.000 0.216 630 A C 1.527 179.085 177.584 -0.043 0.000 1.176 630 A CA 1.560 53.606 52.037 0.015 0.000 0.628 630 A CB -0.115 18.890 19.000 0.008 0.000 0.816 630 A HN 0.143 nan 8.150 nan 0.000 0.444 631 D N -1.626 118.733 120.400 -0.068 0.000 2.305 631 D HA 0.111 4.751 4.640 -0.000 0.000 0.206 631 D C -0.480 175.412 176.300 -0.679 0.000 0.974 631 D CA 0.698 54.481 54.000 -0.362 0.000 0.871 631 D CB 0.055 40.592 40.800 -0.438 0.000 0.947 631 D HN 0.434 nan 8.370 nan 0.000 0.516 632 F N 0.721 120.698 119.950 0.046 0.000 2.584 632 F HA 0.255 4.782 4.527 -0.000 0.000 0.328 632 F C -1.648 174.106 175.800 -0.077 0.000 1.407 632 F CA -1.759 56.228 58.000 -0.022 0.000 1.145 632 F CB 1.605 40.587 39.000 -0.030 0.000 1.440 632 F HN -0.201 nan 8.300 nan 0.000 0.580 633 P HA -0.169 nan 4.420 nan 0.000 0.219 633 P C 0.525 177.811 177.300 -0.022 0.000 1.146 633 P CA 1.571 64.674 63.100 0.005 0.000 0.808 633 P CB 0.481 32.173 31.700 -0.014 0.000 0.779 634 D N -0.862 119.521 120.400 -0.028 0.000 2.350 634 D HA 0.034 4.674 4.640 -0.000 0.000 0.213 634 D C 0.151 176.380 176.300 -0.118 0.000 1.031 634 D CA 0.319 54.286 54.000 -0.056 0.000 0.861 634 D CB -0.351 40.435 40.800 -0.023 0.000 0.926 634 D HN 0.284 nan 8.370 nan 0.000 0.520 635 N N 0.899 119.472 118.700 -0.212 0.000 2.434 635 N HA 0.155 4.895 4.740 -0.000 0.000 0.272 635 N C -0.163 175.159 175.510 -0.313 0.000 1.040 635 N CA -0.392 52.380 53.050 -0.464 0.000 0.956 635 N CB 1.570 39.246 38.487 -1.351 0.000 1.108 635 N HN -0.120 nan 8.380 nan 0.000 0.481 636 I N 2.417 122.898 120.570 -0.147 0.000 2.471 636 I HA 0.110 4.280 4.170 -0.000 0.000 0.286 636 I C -0.087 176.176 176.117 0.244 0.000 1.079 636 I CA -0.263 61.009 61.300 -0.046 0.000 1.398 636 I CB 0.375 38.178 38.000 -0.329 0.000 1.403 636 I HN 0.216 nan 8.210 nan 0.000 0.530 637 V N 8.255 128.306 119.914 0.228 0.000 2.378 637 V HA 0.444 4.564 4.120 -0.000 0.000 0.288 637 V C 0.176 176.424 176.094 0.256 0.000 1.016 637 V CA -0.528 61.968 62.300 0.326 0.000 0.840 637 V CB 1.887 33.897 31.823 0.312 0.000 0.994 637 V HN 0.418 nan 8.190 nan 0.000 0.431 638 I N 4.157 124.900 120.570 0.289 0.000 2.362 638 I HA 0.631 4.801 4.170 -0.000 0.000 0.289 638 I C 0.507 176.745 176.117 0.201 0.000 0.994 638 I CA -0.594 60.859 61.300 0.255 0.000 1.158 638 I CB 1.827 40.022 38.000 0.325 0.000 1.315 638 I HN 0.641 nan 8.210 nan 0.000 0.451 639 A N 4.740 127.669 122.820 0.181 0.000 2.309 639 A HA 0.425 4.745 4.320 -0.000 0.000 0.290 639 A C 0.124 177.724 177.584 0.027 0.000 1.206 639 A CA -0.207 51.934 52.037 0.173 0.000 0.850 639 A CB 0.620 19.785 19.000 0.274 0.000 1.118 639 A HN 0.656 nan 8.150 nan 0.000 0.523 640 S N 2.842 118.497 115.700 -0.076 0.000 2.475 640 S HA 0.642 5.112 4.470 -0.000 0.000 0.281 640 S C -0.158 174.169 174.600 -0.455 0.000 1.198 640 S CA -0.554 57.555 58.200 -0.151 0.000 1.063 640 S CB -0.378 62.760 63.200 -0.102 0.000 0.972 640 S HN 0.814 nan 8.310 nan 0.000 0.486 641 I N 2.194 122.555 120.570 -0.349 0.000 2.934 641 I HA 0.737 4.907 4.170 -0.000 0.000 0.306 641 I C -0.930 175.042 176.117 -0.241 0.000 1.110 641 I CA -1.226 59.763 61.300 -0.519 0.000 1.019 641 I CB 2.315 40.013 38.000 -0.503 0.000 1.227 641 I HN 0.678 nan 8.210 nan 0.000 0.434 642 M N 4.161 123.522 119.600 -0.398 0.000 2.371 642 M HA 0.664 5.144 4.480 -0.000 0.000 0.287 642 M C -2.066 173.823 176.300 -0.686 0.000 1.149 642 M CA -0.007 55.047 55.300 -0.411 0.000 0.929 642 M CB 1.930 34.452 32.600 -0.131 0.000 1.683 642 M HN 0.949 nan 8.290 nan 0.000 0.470 643 C N 0.808 119.446 119.300 -1.103 0.000 3.154 643 C HA 0.819 5.278 4.460 -0.000 0.000 0.312 643 C C 0.337 175.138 174.990 -0.315 0.000 1.349 643 C CA -0.667 57.813 59.018 -0.897 0.000 1.518 643 C CB 2.248 29.040 27.740 -1.580 0.000 1.934 643 C HN 0.976 nan 8.230 nan 0.000 0.462 644 S N 0.034 115.671 115.700 -0.104 0.000 2.641 644 S HA 0.271 4.741 4.470 -0.000 0.000 0.261 644 S C -0.432 174.408 174.600 0.400 0.000 1.257 644 S CA -0.137 58.157 58.200 0.157 0.000 0.983 644 S CB -0.018 63.246 63.200 0.107 0.000 0.990 644 S HN 0.720 nan 8.310 nan 0.000 0.572 645 Y N 2.693 123.217 120.300 0.373 0.000 2.604 645 Y HA 0.287 4.837 4.550 -0.000 0.000 0.341 645 Y C 0.178 176.350 175.900 0.453 0.000 1.249 645 Y CA -0.390 58.031 58.100 0.534 0.000 1.926 645 Y CB -0.990 37.781 38.460 0.518 0.000 1.941 645 Y HN 0.724 nan 8.280 nan 0.000 0.426 646 N N 3.780 122.623 118.700 0.239 0.000 2.454 646 N HA 0.102 4.842 4.740 -0.000 0.000 0.291 646 N C 0.501 175.792 175.510 -0.365 0.000 1.079 646 N CA -0.337 52.642 53.050 -0.118 0.000 0.893 646 N CB 1.545 39.994 38.487 -0.063 0.000 1.512 646 N HN 0.571 nan 8.380 nan 0.000 0.497 647 K N 3.141 122.881 120.400 -1.099 0.000 2.009 647 K HA -0.112 4.207 4.320 -0.000 0.000 0.210 647 K C 1.019 177.281 176.600 -0.563 0.000 1.049 647 K CA 1.520 56.916 56.287 -1.486 0.000 0.929 647 K CB 0.085 31.538 32.500 -1.743 0.000 0.714 647 K HN 0.474 nan 8.250 nan 0.000 0.440 648 N N 1.378 119.845 118.700 -0.388 0.000 2.149 648 N HA -0.161 4.579 4.740 -0.000 0.000 0.188 648 N C 1.314 176.745 175.510 -0.133 0.000 1.019 648 N CA 1.501 54.425 53.050 -0.211 0.000 0.857 648 N CB -0.447 37.942 38.487 -0.164 0.000 0.997 648 N HN 0.316 nan 8.380 nan 0.000 0.426 649 D N -0.156 120.161 120.400 -0.138 0.000 2.084 649 D HA -0.123 4.517 4.640 -0.000 0.000 0.194 649 D C 1.918 178.152 176.300 -0.109 0.000 0.990 649 D CA 0.764 54.681 54.000 -0.139 0.000 0.826 649 D CB -0.571 40.110 40.800 -0.199 0.000 0.971 649 D HN 0.341 nan 8.370 nan 0.000 0.453 650 W N 0.923 122.183 121.300 -0.065 0.000 2.342 650 W HA -0.095 4.565 4.660 -0.000 0.000 0.297 650 W C 2.667 179.160 176.519 -0.044 0.000 1.213 650 W CA 0.724 58.062 57.345 -0.011 0.000 1.251 650 W CB -0.300 29.233 29.460 0.123 0.000 1.136 650 W HN -0.045 nan 8.180 nan 0.000 0.526 651 M N -0.662 119.030 119.600 0.152 0.000 2.175 651 M HA -0.179 4.301 4.480 -0.000 0.000 0.264 651 M C 2.095 178.413 176.300 0.031 0.000 1.063 651 M CA 1.605 56.943 55.300 0.064 0.000 1.119 651 M CB -0.618 31.978 32.600 -0.007 0.000 1.377 651 M HN 0.066 nan 8.290 nan 0.000 0.415 652 E N 0.731 120.933 120.200 0.003 0.000 2.047 652 E HA -0.225 4.125 4.350 -0.000 0.000 0.191 652 E C 1.966 178.576 176.600 0.017 0.000 0.987 652 E CA 1.106 57.505 56.400 -0.002 0.000 0.799 652 E CB 0.026 29.711 29.700 -0.024 0.000 0.752 652 E HN 0.268 nan 8.360 nan 0.000 0.449 653 L N 1.115 122.337 121.223 -0.002 0.000 2.027 653 L HA -0.164 4.176 4.340 -0.000 0.000 0.206 653 L C 2.524 179.422 176.870 0.046 0.000 1.074 653 L CA 2.411 57.255 54.840 0.007 0.000 0.745 653 L CB -0.831 41.161 42.059 -0.111 0.000 0.898 653 L HN 0.224 nan 8.230 nan 0.000 0.433 654 S N -0.829 114.904 115.700 0.056 0.000 2.368 654 S HA -0.242 4.228 4.470 -0.000 0.000 0.225 654 S C 2.153 176.786 174.600 0.055 0.000 1.030 654 S CA 1.200 59.433 58.200 0.055 0.000 0.999 654 S CB -0.660 62.564 63.200 0.040 0.000 0.844 654 S HN 0.498 nan 8.310 nan 0.000 0.459 655 R N 1.284 121.814 120.500 0.049 0.000 2.092 655 R HA 0.062 4.402 4.340 -0.000 0.000 0.231 655 R C 2.596 178.935 176.300 0.065 0.000 1.119 655 R CA 1.425 57.553 56.100 0.047 0.000 0.970 655 R CB -0.267 30.053 30.300 0.033 0.000 0.864 655 R HN 0.518 nan 8.270 nan 0.000 0.440 656 K N 0.526 120.975 120.400 0.081 0.000 2.057 656 K HA -0.105 4.215 4.320 -0.000 0.000 0.207 656 K C 1.995 178.681 176.600 0.143 0.000 1.049 656 K CA 1.379 57.728 56.287 0.103 0.000 0.931 656 K CB -0.051 32.522 32.500 0.121 0.000 0.714 656 K HN 0.151 nan 8.250 nan 0.000 0.440 657 A N 1.359 124.290 122.820 0.185 0.000 1.898 657 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 657 A C 2.011 179.688 177.584 0.156 0.000 1.181 657 A CA 1.748 53.929 52.037 0.240 0.000 0.620 657 A CB -0.566 18.580 19.000 0.243 0.000 0.819 657 A HN 0.596 nan 8.150 nan 0.000 0.442 658 E N 0.045 120.310 120.200 0.108 0.000 2.077 658 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 658 E C 2.033 178.677 176.600 0.074 0.000 0.989 658 E CA 1.072 57.522 56.400 0.082 0.000 0.800 658 E CB -0.281 29.455 29.700 0.059 0.000 0.746 658 E HN 0.505 nan 8.360 nan 0.000 0.452 659 A N 0.888 123.750 122.820 0.070 0.000 2.070 659 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 659 A C 2.261 179.880 177.584 0.058 0.000 1.159 659 A CA 1.713 53.783 52.037 0.056 0.000 0.656 659 A CB -0.635 18.395 19.000 0.049 0.000 0.800 659 A HN 0.447 nan 8.150 nan 0.000 0.453 660 S N -1.945 113.801 115.700 0.076 0.000 2.481 660 S HA 0.322 4.792 4.470 -0.000 0.000 0.231 660 S C 1.414 176.057 174.600 0.071 0.000 0.996 660 S CA 1.187 59.429 58.200 0.071 0.000 0.942 660 S CB -0.292 62.962 63.200 0.090 0.000 0.768 660 S HN 1.897 nan 8.310 nan 0.000 0.520 661 G N 0.450 109.295 108.800 0.075 0.000 2.148 661 G HA2 0.040 4.000 3.960 -0.000 0.000 0.203 661 G HA3 0.040 4.000 3.960 -0.000 0.000 0.203 661 G C 0.178 175.130 174.900 0.086 0.000 0.993 661 G CA -0.193 44.949 45.100 0.070 0.000 0.661 661 G HN 1.194 nan 8.290 nan 0.000 0.518 662 A N 0.261 123.145 122.820 0.107 0.000 2.498 662 A HA 0.486 4.806 4.320 -0.000 0.000 0.239 662 A C 1.294 178.933 177.584 0.092 0.000 1.068 662 A CA 0.899 53.010 52.037 0.123 0.000 0.766 662 A CB 0.283 19.374 19.000 0.151 0.000 1.003 662 A HN 0.239 nan 8.150 nan 0.000 0.497 663 D N 0.593 121.046 120.400 0.088 0.000 2.178 663 D HA 0.200 4.840 4.640 -0.000 0.000 0.202 663 D C 0.802 177.133 176.300 0.052 0.000 0.974 663 D CA 1.963 55.991 54.000 0.047 0.000 0.841 663 D CB 0.172 40.978 40.800 0.009 0.000 0.953 663 D HN 0.767 nan 8.370 nan 0.000 0.478 664 A N -0.570 122.302 122.820 0.087 0.000 2.536 664 A HA 0.623 4.943 4.320 -0.000 0.000 0.293 664 A C -1.708 175.930 177.584 0.090 0.000 1.119 664 A CA -0.667 51.400 52.037 0.051 0.000 0.654 664 A CB 0.714 19.748 19.000 0.056 0.000 1.291 664 A HN 0.020 nan 8.150 nan 0.000 0.439 665 L N 0.080 121.330 121.223 0.046 0.000 2.341 665 L HA 0.737 5.077 4.340 -0.000 0.000 0.267 665 L C -0.205 176.755 176.870 0.150 0.000 1.009 665 L CA -0.517 54.381 54.840 0.098 0.000 0.819 665 L CB 2.152 44.256 42.059 0.075 0.000 1.323 665 L HN 0.882 nan 8.230 nan 0.000 0.425 666 E N 2.130 122.430 120.200 0.167 0.000 2.218 666 E HA 0.444 4.794 4.350 -0.000 0.000 0.263 666 E C -1.579 175.118 176.600 0.163 0.000 0.879 666 E CA -0.622 55.909 56.400 0.218 0.000 0.762 666 E CB 1.667 31.495 29.700 0.214 0.000 1.166 666 E HN 0.474 nan 8.360 nan 0.000 0.415 667 L N 4.238 125.578 121.223 0.195 0.000 2.260 667 L HA 0.324 4.664 4.340 -0.000 0.000 0.289 667 L C 0.315 177.305 176.870 0.200 0.000 1.057 667 L CA -0.724 54.243 54.840 0.212 0.000 0.811 667 L CB 0.563 42.660 42.059 0.065 0.000 1.184 667 L HN 0.427 nan 8.230 nan 0.000 0.429 668 N N 4.634 123.473 118.700 0.233 0.000 2.408 668 N HA 0.190 4.930 4.740 -0.000 0.000 0.257 668 N C -0.085 175.571 175.510 0.243 0.000 1.064 668 N CA -0.210 52.941 53.050 0.170 0.000 0.952 668 N CB 1.162 39.705 38.487 0.094 0.000 1.093 668 N HN 0.584 nan 8.380 nan 0.000 0.490 669 L N 2.520 123.846 121.223 0.171 0.000 2.928 669 L HA 0.188 4.528 4.340 -0.000 0.000 0.236 669 L C 1.210 178.163 176.870 0.137 0.000 1.290 669 L CA -0.151 54.790 54.840 0.169 0.000 1.099 669 L CB -0.060 42.052 42.059 0.088 0.000 1.437 669 L HN 0.386 nan 8.230 nan 0.000 0.493 670 S N 0.309 116.089 115.700 0.132 0.000 2.558 670 S HA 0.166 4.636 4.470 -0.000 0.000 0.217 670 S C 1.267 175.933 174.600 0.109 0.000 0.975 670 S CA -0.025 58.235 58.200 0.100 0.000 0.912 670 S CB 0.147 63.393 63.200 0.076 0.000 0.776 670 S HN 0.492 nan 8.310 nan 0.000 0.526 671 A N 3.272 126.180 122.820 0.148 0.000 2.488 671 A HA 0.408 4.728 4.320 -0.000 0.000 0.249 671 A C -2.494 175.184 177.584 0.156 0.000 1.083 671 A CA -1.058 51.069 52.037 0.150 0.000 0.768 671 A CB -0.218 18.900 19.000 0.197 0.000 1.017 671 A HN 0.111 nan 8.150 nan 0.000 0.496 672 P HA 0.208 nan 4.420 nan 0.000 0.271 672 P C -0.449 176.952 177.300 0.169 0.000 1.218 672 P CA 0.420 63.591 63.100 0.119 0.000 0.780 672 P CB 0.473 32.220 31.700 0.078 0.000 0.901 673 H N 1.324 120.416 119.070 0.037 0.000 3.038 673 H HA 0.449 5.004 4.556 -0.000 0.000 0.362 673 H C -0.358 174.965 175.328 -0.009 0.000 1.167 673 H CA -0.062 55.996 56.048 0.015 0.000 1.197 673 H CB 1.665 31.383 29.762 -0.073 0.000 1.840 673 H HN 0.703 nan 8.280 nan 0.000 0.540 674 G N 4.221 112.602 108.800 -0.697 0.000 3.295 674 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.627 674 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.627 674 G C -0.068 174.780 174.900 -0.087 0.000 0.847 674 G CA 0.260 45.162 45.100 -0.329 0.000 0.907 674 G HN 0.739 nan 8.290 nan 0.000 0.502 675 M N 3.272 122.831 119.600 -0.068 0.000 2.180 675 M HA 0.526 5.006 4.480 -0.000 0.000 0.358 675 M C 1.241 177.540 176.300 -0.003 0.000 1.233 675 M CA 1.496 56.783 55.300 -0.022 0.000 1.114 675 M CB 0.538 33.126 32.600 -0.020 0.000 1.594 675 M HN 2.522 nan 8.290 nan 0.000 0.467 676 G N 4.828 113.634 108.800 0.011 0.000 2.578 676 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.232 676 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.232 676 G C -0.948 173.965 174.900 0.022 0.000 1.176 676 G CA -0.102 45.007 45.100 0.016 0.000 0.968 676 G HN 0.698 nan 8.290 nan 0.000 0.583 677 E N -0.858 119.354 120.200 0.020 0.000 2.460 677 E HA 0.805 5.154 4.350 -0.000 0.000 0.277 677 E C -0.202 176.410 176.600 0.019 0.000 1.010 677 E CA -0.959 55.454 56.400 0.021 0.000 0.838 677 E CB 2.049 31.759 29.700 0.017 0.000 1.448 677 E HN 0.547 nan 8.360 nan 0.000 0.462 678 R N -0.666 119.843 120.500 0.015 0.000 2.447 678 R HA 0.163 4.503 4.340 -0.000 0.000 0.160 678 R C 0.349 176.651 176.300 0.004 0.000 0.549 678 R CA 0.486 56.592 56.100 0.010 0.000 0.767 678 R CB 0.870 31.178 30.300 0.014 0.000 1.247 678 R HN 0.827 nan 8.270 nan 0.000 0.535 679 G N 1.522 110.325 108.800 0.005 0.000 2.956 679 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.210 679 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.210 679 G C 0.439 175.338 174.900 -0.001 0.000 1.316 679 G CA 0.016 45.116 45.100 -0.000 0.000 0.819 679 G HN 0.145 nan 8.290 nan 0.000 0.544 680 M N 3.183 122.779 119.600 -0.006 0.000 3.752 680 M HA 0.363 4.843 4.480 -0.000 0.000 0.169 680 M C 1.814 178.115 176.300 0.002 0.000 1.684 680 M CA 0.938 56.231 55.300 -0.011 0.000 1.778 680 M CB -1.098 31.483 32.600 -0.031 0.000 1.250 680 M HN 1.269 nan 8.290 nan 0.000 0.510 681 G N 1.152 109.958 108.800 0.009 0.000 2.684 681 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.342 681 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.342 681 G C 0.526 175.447 174.900 0.034 0.000 1.316 681 G CA 0.996 46.107 45.100 0.019 0.000 0.994 681 G HN 0.597 nan 8.290 nan 0.000 0.541 682 L N -0.135 121.114 121.223 0.043 0.000 2.885 682 L HA 0.552 4.892 4.340 -0.000 0.000 0.251 682 L C 1.626 178.542 176.870 0.076 0.000 1.071 682 L CA 0.465 55.341 54.840 0.060 0.000 0.956 682 L CB -0.032 42.060 42.059 0.056 0.000 1.483 682 L HN 0.749 nan 8.230 nan 0.000 0.525 683 A N -0.552 122.305 122.820 0.062 0.000 2.340 683 A HA 0.212 4.532 4.320 -0.000 0.000 0.268 683 A C 1.195 178.805 177.584 0.043 0.000 1.100 683 A CA -0.342 51.736 52.037 0.070 0.000 0.803 683 A CB 0.591 19.628 19.000 0.063 0.000 1.043 683 A HN 0.301 nan 8.150 nan 0.000 0.488 684 C N 1.598 120.933 119.300 0.058 0.000 2.413 684 C HA -0.087 4.373 4.460 -0.000 0.000 0.277 684 C C 2.700 177.664 174.990 -0.042 0.000 1.265 684 C CA 1.352 60.355 59.018 -0.025 0.000 1.752 684 C CB -1.446 26.332 27.740 0.064 0.000 1.998 684 C HN 1.010 nan 8.230 nan 0.000 0.489 685 G N -0.707 108.100 108.800 0.011 0.000 2.586 685 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.215 685 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.215 685 G C 1.474 176.367 174.900 -0.011 0.000 1.128 685 G CA 0.325 45.427 45.100 0.004 0.000 0.774 685 G HN 0.734 nan 8.290 nan 0.000 0.543 686 Q N -0.579 119.210 119.800 -0.018 0.000 2.319 686 Q HA 0.107 4.446 4.340 -0.000 0.000 0.202 686 Q C -0.340 175.633 176.000 -0.044 0.000 0.896 686 Q CA -0.106 55.685 55.803 -0.020 0.000 0.942 686 Q CB 0.745 29.480 28.738 -0.005 0.000 1.083 686 Q HN 0.229 nan 8.270 nan 0.000 0.510 687 D N -0.054 120.298 120.400 -0.080 0.000 2.471 687 D HA 0.165 4.805 4.640 -0.000 0.000 0.245 687 D C -2.157 174.068 176.300 -0.124 0.000 1.116 687 D CA -2.206 51.726 54.000 -0.113 0.000 0.853 687 D CB 1.948 42.638 40.800 -0.182 0.000 1.123 687 D HN -0.215 nan 8.370 nan 0.000 0.540 688 P HA -0.167 nan 4.420 nan 0.000 0.216 688 P C 1.124 178.354 177.300 -0.117 0.000 1.153 688 P CA 1.090 64.136 63.100 -0.089 0.000 0.858 688 P CB 0.442 32.101 31.700 -0.068 0.000 0.789 689 E N -0.386 119.737 120.200 -0.128 0.000 2.077 689 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 689 E C 1.871 178.357 176.600 -0.190 0.000 0.989 689 E CA 0.979 57.296 56.400 -0.138 0.000 0.800 689 E CB -0.504 29.124 29.700 -0.121 0.000 0.746 689 E HN 0.147 nan 8.360 nan 0.000 0.452 690 L N 0.142 121.201 121.223 -0.273 0.000 2.056 690 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 690 L C 2.556 179.283 176.870 -0.238 0.000 1.078 690 L CA 0.575 55.203 54.840 -0.354 0.000 0.749 690 L CB -0.409 41.293 42.059 -0.595 0.000 0.901 690 L HN 0.088 nan 8.230 nan 0.000 0.433 691 V N 0.114 119.907 119.914 -0.201 0.000 2.295 691 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 691 V C 2.727 178.696 176.094 -0.207 0.000 1.049 691 V CA 1.949 64.144 62.300 -0.176 0.000 1.024 691 V CB -0.675 31.085 31.823 -0.105 0.000 0.648 691 V HN 0.455 nan 8.190 nan 0.000 0.447 692 R N 0.266 120.654 120.500 -0.186 0.000 2.091 692 R HA -0.184 4.156 4.340 -0.000 0.000 0.238 692 R C 2.204 178.327 176.300 -0.295 0.000 1.136 692 R CA 1.985 57.975 56.100 -0.183 0.000 0.959 692 R CB -0.266 29.949 30.300 -0.141 0.000 0.856 692 R HN 0.541 nan 8.270 nan 0.000 0.437 693 N N 0.606 119.063 118.700 -0.406 0.000 2.188 693 N HA -0.126 4.614 4.740 -0.000 0.000 0.184 693 N C 1.885 176.602 175.510 -1.322 0.000 1.018 693 N CA 1.275 53.870 53.050 -0.759 0.000 0.858 693 N CB -0.157 37.924 38.487 -0.678 0.000 0.989 693 N HN 0.305 nan 8.380 nan 0.000 0.426 694 I N 0.482 120.448 120.570 -1.007 0.000 2.179 694 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 694 I C 2.111 177.829 176.117 -0.664 0.000 1.088 694 I CA 0.799 61.511 61.300 -0.980 0.000 1.357 694 I CB -0.223 37.275 38.000 -0.836 0.000 1.051 694 I HN 0.128 nan 8.210 nan 0.000 0.409 695 C N 0.542 119.592 119.300 -0.417 0.000 2.425 695 C HA -0.118 4.342 4.460 -0.000 0.000 0.277 695 C C 2.891 177.832 174.990 -0.081 0.000 1.280 695 C CA 0.709 59.653 59.018 -0.124 0.000 1.744 695 C CB -1.238 26.568 27.740 0.111 0.000 1.989 695 C HN 0.409 nan 8.230 nan 0.000 0.491 696 R N -0.467 119.922 120.500 -0.185 0.000 2.092 696 R HA -0.134 4.206 4.340 -0.000 0.000 0.231 696 R C 2.182 178.494 176.300 0.020 0.000 1.119 696 R CA 1.491 57.542 56.100 -0.082 0.000 0.970 696 R CB -0.305 29.913 30.300 -0.136 0.000 0.864 696 R HN 0.579 nan 8.270 nan 0.000 0.440 697 W N 0.362 121.582 121.300 -0.133 0.000 2.355 697 W HA -0.098 4.562 4.660 -0.000 0.000 0.309 697 W C 2.126 178.550 176.519 -0.159 0.000 1.206 697 W CA 0.334 57.603 57.345 -0.127 0.000 1.284 697 W CB -1.107 28.272 29.460 -0.135 0.000 1.145 697 W HN -0.128 nan 8.180 nan 0.000 0.502 698 V N 0.699 120.565 119.914 -0.080 0.000 2.358 698 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 698 V C 2.463 178.369 176.094 -0.314 0.000 1.047 698 V CA 2.150 64.253 62.300 -0.327 0.000 1.035 698 V CB -0.911 30.407 31.823 -0.841 0.000 0.658 698 V HN -0.022 nan 8.190 nan 0.000 0.452 699 R N 1.487 121.880 120.500 -0.179 0.000 2.105 699 R HA -0.211 4.128 4.340 -0.000 0.000 0.239 699 R C 2.305 178.657 176.300 0.087 0.000 1.135 699 R CA 2.125 58.315 56.100 0.149 0.000 0.967 699 R CB -0.545 29.923 30.300 0.280 0.000 0.861 699 R HN 0.779 nan 8.270 nan 0.000 0.442 700 Q N -1.620 118.217 119.800 0.063 0.000 2.451 700 Q HA 0.149 4.488 4.340 -0.000 0.000 0.206 700 Q C 1.399 177.424 176.000 0.041 0.000 0.947 700 Q CA 0.918 56.757 55.803 0.061 0.000 0.937 700 Q CB 0.233 29.015 28.738 0.074 0.000 1.025 700 Q HN 0.314 nan 8.270 nan 0.000 0.511 701 A N 1.218 124.052 122.820 0.023 0.000 1.997 701 A HA 0.273 4.593 4.320 -0.000 0.000 0.212 701 A C 1.063 178.655 177.584 0.014 0.000 1.178 701 A CA 0.708 52.754 52.037 0.015 0.000 0.698 701 A CB 0.283 19.291 19.000 0.013 0.000 0.842 701 A HN 0.335 nan 8.150 nan 0.000 0.458 702 V N -4.153 115.766 119.914 0.009 0.000 3.074 702 V HA 0.505 4.625 4.120 -0.000 0.000 0.314 702 V C 0.083 176.211 176.094 0.056 0.000 1.117 702 V CA -0.741 61.575 62.300 0.028 0.000 1.014 702 V CB 1.684 33.518 31.823 0.017 0.000 1.057 702 V HN 0.240 nan 8.190 nan 0.000 0.438 703 Q N 1.565 121.396 119.800 0.053 0.000 2.396 703 Q HA 0.312 4.652 4.340 -0.000 0.000 0.220 703 Q C 0.951 176.984 176.000 0.055 0.000 0.900 703 Q CA 0.669 56.504 55.803 0.053 0.000 0.925 703 Q CB 0.565 29.325 28.738 0.037 0.000 1.065 703 Q HN 0.927 nan 8.270 nan 0.000 0.535 704 I N 0.160 120.762 120.570 0.052 0.000 3.060 704 I HA 0.239 4.409 4.170 -0.000 0.000 0.285 704 I C -2.289 173.848 176.117 0.033 0.000 1.190 704 I CA -2.152 59.170 61.300 0.035 0.000 1.363 704 I CB -0.200 37.820 38.000 0.033 0.000 1.396 704 I HN -0.233 nan 8.210 nan 0.000 0.607 705 P HA 0.235 nan 4.420 nan 0.000 0.272 705 P C -1.118 175.983 177.300 -0.333 0.000 1.223 705 P CA 0.133 63.097 63.100 -0.226 0.000 0.784 705 P CB 0.341 31.888 31.700 -0.256 0.000 0.923 706 F N -0.069 119.478 119.950 -0.671 0.000 2.619 706 F HA 0.749 5.276 4.527 -0.000 0.000 0.308 706 F C -1.907 173.429 175.800 -0.774 0.000 1.097 706 F CA -1.366 56.239 58.000 -0.659 0.000 0.953 706 F CB 1.044 39.890 39.000 -0.256 0.000 1.287 706 F HN 0.023 nan 8.300 nan 0.000 0.446 707 F N 1.942 121.973 119.950 0.135 0.000 2.532 707 F HA 0.802 5.329 4.527 -0.000 0.000 0.321 707 F C 0.115 175.984 175.800 0.114 0.000 1.089 707 F CA -1.528 56.472 58.000 -0.001 0.000 0.926 707 F CB 1.970 40.938 39.000 -0.055 0.000 1.168 707 F HN 0.879 nan 8.300 nan 0.000 0.459 708 A N 2.722 125.686 122.820 0.241 0.000 2.276 708 A HA 0.470 4.790 4.320 -0.000 0.000 0.300 708 A C -0.185 177.479 177.584 0.134 0.000 1.235 708 A CA -0.709 51.433 52.037 0.176 0.000 0.867 708 A CB 0.342 19.422 19.000 0.134 0.000 1.137 708 A HN 0.765 nan 8.150 nan 0.000 0.527 709 K N 3.790 124.262 120.400 0.120 0.000 2.285 709 K HA 0.468 4.788 4.320 -0.000 0.000 0.286 709 K C -0.840 175.802 176.600 0.069 0.000 1.072 709 K CA -0.205 56.135 56.287 0.088 0.000 0.913 709 K CB 0.152 32.704 32.500 0.087 0.000 1.067 709 K HN 0.711 nan 8.250 nan 0.000 0.479 710 L N 2.802 124.058 121.223 0.055 0.000 2.375 710 L HA 0.281 4.621 4.340 -0.000 0.000 0.271 710 L C 0.717 177.612 176.870 0.042 0.000 1.107 710 L CA -0.716 54.152 54.840 0.047 0.000 0.806 710 L CB 1.442 43.529 42.059 0.047 0.000 1.146 710 L HN 0.599 nan 8.230 nan 0.000 0.447 711 T N 1.795 116.371 114.554 0.037 0.000 2.875 711 T HA 0.362 4.712 4.350 -0.000 0.000 0.284 711 T C -1.642 173.076 174.700 0.030 0.000 0.995 711 T CA -1.753 60.367 62.100 0.034 0.000 1.060 711 T CB 1.393 70.281 68.868 0.032 0.000 0.967 711 T HN 0.492 nan 8.240 nan 0.000 0.476 712 P HA 0.104 nan 4.420 nan 0.000 0.251 712 P C 0.023 177.334 177.300 0.018 0.000 1.223 712 P CA 0.063 63.180 63.100 0.029 0.000 0.796 712 P CB 0.272 31.993 31.700 0.035 0.000 1.068 713 N N 1.443 120.152 118.700 0.014 0.000 3.243 713 N HA 0.143 4.883 4.740 -0.000 0.000 0.310 713 N C 0.183 175.694 175.510 0.001 0.000 1.313 713 N CA 0.276 53.328 53.050 0.003 0.000 1.204 713 N CB 0.223 38.711 38.487 0.001 0.000 1.483 713 N HN 0.173 nan 8.380 nan 0.000 0.553 714 V N -3.867 116.048 119.914 0.002 0.000 3.114 714 V HA 0.404 4.524 4.120 -0.000 0.000 0.308 714 V C 1.154 177.247 176.094 -0.001 0.000 1.168 714 V CA -0.847 61.452 62.300 -0.001 0.000 1.015 714 V CB 1.546 33.370 31.823 0.001 0.000 1.050 714 V HN -0.022 nan 8.190 nan 0.000 0.433 715 T N 1.013 115.565 114.554 -0.005 0.000 2.708 715 T HA -0.063 4.287 4.350 -0.000 0.000 0.266 715 T C 0.422 175.121 174.700 -0.002 0.000 1.037 715 T CA 2.520 64.617 62.100 -0.005 0.000 1.146 715 T CB -0.249 68.615 68.868 -0.008 0.000 0.865 715 T HN 0.987 nan 8.240 nan 0.000 0.435 716 D N -0.292 120.107 120.400 -0.003 0.000 2.375 716 D HA 0.308 4.948 4.640 -0.000 0.000 0.259 716 D C 0.683 176.985 176.300 0.003 0.000 1.235 716 D CA -0.277 53.723 54.000 -0.000 0.000 0.924 716 D CB 0.180 40.977 40.800 -0.005 0.000 1.143 716 D HN 0.085 nan 8.370 nan 0.000 0.529 717 I N 3.037 123.613 120.570 0.011 0.000 2.454 717 I HA -0.184 3.986 4.170 -0.000 0.000 0.254 717 I C 1.272 177.402 176.117 0.021 0.000 1.156 717 I CA 0.844 62.155 61.300 0.019 0.000 1.433 717 I CB 0.366 38.383 38.000 0.029 0.000 1.082 717 I HN 0.311 nan 8.210 nan 0.000 0.432 718 V N 1.040 120.964 119.914 0.017 0.000 2.407 718 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 718 V C 2.643 178.737 176.094 0.000 0.000 1.055 718 V CA 2.091 64.400 62.300 0.016 0.000 1.049 718 V CB -0.916 30.912 31.823 0.008 0.000 0.662 718 V HN 0.686 nan 8.190 nan 0.000 0.455 719 S N 0.130 115.825 115.700 -0.008 0.000 2.399 719 S HA -0.128 4.342 4.470 -0.000 0.000 0.231 719 S C 1.912 176.497 174.600 -0.024 0.000 1.022 719 S CA 1.320 59.507 58.200 -0.022 0.000 0.983 719 S CB -0.406 62.780 63.200 -0.024 0.000 0.803 719 S HN 0.442 nan 8.310 nan 0.000 0.480 720 I N 2.612 123.176 120.570 -0.011 0.000 2.286 720 I HA 0.043 4.213 4.170 -0.000 0.000 0.245 720 I C 3.036 179.161 176.117 0.012 0.000 1.104 720 I CA 1.042 62.337 61.300 -0.009 0.000 1.397 720 I CB -1.975 36.026 38.000 0.001 0.000 1.072 720 I HN 0.412 nan 8.210 nan 0.000 0.417 721 A N 0.963 123.806 122.820 0.039 0.000 1.902 721 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 721 A C 2.554 180.155 177.584 0.028 0.000 1.181 721 A CA 1.585 53.680 52.037 0.098 0.000 0.623 721 A CB -0.669 18.412 19.000 0.134 0.000 0.818 721 A HN 0.320 nan 8.150 nan 0.000 0.443 722 R N -0.455 120.019 120.500 -0.043 0.000 2.096 722 R HA -0.088 4.252 4.340 -0.000 0.000 0.235 722 R C 2.297 178.527 176.300 -0.117 0.000 1.127 722 R CA 1.327 57.353 56.100 -0.124 0.000 0.968 722 R CB -0.370 29.872 30.300 -0.097 0.000 0.861 722 R HN 0.451 nan 8.270 nan 0.000 0.440 723 A N 0.694 123.471 122.820 -0.072 0.000 1.902 723 A HA -0.107 4.212 4.320 -0.000 0.000 0.217 723 A C 2.321 179.867 177.584 -0.065 0.000 1.181 723 A CA 1.654 53.647 52.037 -0.074 0.000 0.623 723 A CB -0.675 18.283 19.000 -0.071 0.000 0.818 723 A HN 0.523 nan 8.150 nan 0.000 0.443 724 A N -0.252 122.555 122.820 -0.022 0.000 1.902 724 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 724 A C 2.145 179.742 177.584 0.021 0.000 1.181 724 A CA 1.990 54.047 52.037 0.033 0.000 0.623 724 A CB -0.457 18.615 19.000 0.121 0.000 0.818 724 A HN 0.549 nan 8.150 nan 0.000 0.443 725 K N -0.126 120.227 120.400 -0.079 0.000 2.057 725 K HA -0.181 4.139 4.320 -0.000 0.000 0.207 725 K C 1.854 178.347 176.600 -0.180 0.000 1.049 725 K CA 1.675 57.797 56.287 -0.276 0.000 0.931 725 K CB -0.189 31.805 32.500 -0.844 0.000 0.714 725 K HN 0.629 nan 8.250 nan 0.000 0.440 726 E N -0.786 119.323 120.200 -0.152 0.000 2.204 726 E HA -0.126 4.224 4.350 -0.000 0.000 0.195 726 E C 1.812 178.371 176.600 -0.068 0.000 0.990 726 E CA 0.963 57.298 56.400 -0.108 0.000 0.821 726 E CB -0.061 29.580 29.700 -0.098 0.000 0.750 726 E HN 0.512 nan 8.360 nan 0.000 0.477 727 G N -0.182 108.586 108.800 -0.054 0.000 2.650 727 G HA2 0.083 4.043 3.960 -0.000 0.000 0.214 727 G HA3 0.083 4.043 3.960 -0.000 0.000 0.214 727 G C 1.062 175.990 174.900 0.047 0.000 1.136 727 G CA 0.420 45.503 45.100 -0.028 0.000 0.789 727 G HN 0.421 nan 8.290 nan 0.000 0.536 728 G N -1.556 107.263 108.800 0.031 0.000 2.192 728 G HA2 0.193 4.153 3.960 -0.000 0.000 0.193 728 G HA3 0.193 4.153 3.960 -0.000 0.000 0.193 728 G C 0.493 175.311 174.900 -0.136 0.000 0.999 728 G CA 0.138 45.265 45.100 0.045 0.000 0.659 728 G HN 1.212 nan 8.290 nan 0.000 0.503 729 A N 0.371 123.063 122.820 -0.213 0.000 2.483 729 A HA 0.501 4.821 4.320 -0.000 0.000 0.238 729 A C 1.042 178.417 177.584 -0.349 0.000 1.070 729 A CA 0.885 52.505 52.037 -0.696 0.000 0.770 729 A CB 0.263 19.170 19.000 -0.154 0.000 1.008 729 A HN 0.222 nan 8.150 nan 0.000 0.497 730 D N 0.666 120.724 120.400 -0.570 0.000 2.349 730 D HA 0.290 4.930 4.640 -0.000 0.000 0.215 730 D C 0.816 177.061 176.300 -0.092 0.000 1.016 730 D CA 1.482 55.356 54.000 -0.209 0.000 0.870 730 D CB 0.469 41.075 40.800 -0.324 0.000 0.917 730 D HN 0.821 nan 8.370 nan 0.000 0.524 731 G N -0.036 108.642 108.800 -0.203 0.000 2.315 731 G HA2 0.367 4.327 3.960 -0.000 0.000 0.294 731 G HA3 0.367 4.327 3.960 -0.000 0.000 0.294 731 G C -1.599 173.125 174.900 -0.294 0.000 1.300 731 G CA -0.271 44.408 45.100 -0.701 0.000 0.843 731 G HN 0.092 nan 8.290 nan 0.000 0.527 732 V N -3.170 116.524 119.914 -0.367 0.000 3.007 732 V HA 0.919 5.039 4.120 -0.000 0.000 0.311 732 V C -0.348 175.669 176.094 -0.128 0.000 1.120 732 V CA -0.792 61.454 62.300 -0.090 0.000 0.980 732 V CB 1.580 33.414 31.823 0.019 0.000 1.033 732 V HN 0.976 nan 8.190 nan 0.000 0.429 733 T N 3.026 117.558 114.554 -0.036 0.000 2.749 733 T HA 0.791 5.141 4.350 -0.000 0.000 0.287 733 T C -0.037 174.653 174.700 -0.017 0.000 0.970 733 T CA 0.207 62.273 62.100 -0.056 0.000 0.980 733 T CB 1.162 70.027 68.868 -0.005 0.000 0.924 733 T HN 1.424 nan 8.240 nan 0.000 0.456 734 A N 3.353 126.156 122.820 -0.028 0.000 2.332 734 A HA 0.806 5.126 4.320 -0.000 0.000 0.300 734 A C 0.272 177.857 177.584 0.002 0.000 1.153 734 A CA -0.754 51.289 52.037 0.010 0.000 0.764 734 A CB 0.865 19.886 19.000 0.035 0.000 1.174 734 A HN 0.849 nan 8.150 nan 0.000 0.467 735 T N -0.527 114.034 114.554 0.011 0.000 2.778 735 T HA 0.518 4.868 4.350 -0.000 0.000 0.293 735 T C -0.086 174.628 174.700 0.024 0.000 1.144 735 T CA -0.857 61.260 62.100 0.027 0.000 1.010 735 T CB 1.177 70.072 68.868 0.045 0.000 1.325 735 T HN 0.446 nan 8.240 nan 0.000 0.515 736 N N 0.427 119.146 118.700 0.032 0.000 2.332 736 N HA 0.322 5.062 4.740 -0.000 0.000 0.282 736 N C 0.225 175.756 175.510 0.036 0.000 1.288 736 N CA 0.228 53.298 53.050 0.033 0.000 0.949 736 N CB 0.915 39.425 38.487 0.038 0.000 1.108 736 N HN 0.974 nan 8.380 nan 0.000 0.542 737 T N -1.720 112.856 114.554 0.037 0.000 2.860 737 T HA 0.309 4.659 4.350 -0.000 0.000 0.299 737 T C 0.370 175.093 174.700 0.038 0.000 1.045 737 T CA -0.696 61.429 62.100 0.042 0.000 1.071 737 T CB 0.425 69.320 68.868 0.045 0.000 0.985 737 T HN 0.114 nan 8.240 nan 0.000 0.537 738 V N 2.367 122.303 119.914 0.037 0.000 2.465 738 V HA 0.346 4.466 4.120 -0.000 0.000 0.279 738 V C 0.872 176.977 176.094 0.017 0.000 1.045 738 V CA -0.665 61.649 62.300 0.024 0.000 0.938 738 V CB 1.343 33.180 31.823 0.023 0.000 0.986 738 V HN 1.116 nan 8.190 nan 0.000 0.467 739 S N 3.369 119.068 115.700 -0.001 0.000 2.533 739 S HA 0.608 5.078 4.470 -0.000 0.000 0.282 739 S C 0.292 174.864 174.600 -0.048 0.000 1.304 739 S CA 0.453 58.643 58.200 -0.016 0.000 1.063 739 S CB 0.116 63.286 63.200 -0.050 0.000 0.881 739 S HN 1.221 nan 8.310 nan 0.000 0.493 740 G N 2.498 111.291 108.800 -0.013 0.000 2.550 740 G HA2 0.518 4.478 3.960 -0.000 0.000 0.293 740 G HA3 0.518 4.478 3.960 -0.000 0.000 0.293 740 G C -2.214 172.742 174.900 0.095 0.000 1.402 740 G CA -0.743 44.350 45.100 -0.011 0.000 0.784 740 G HN 0.756 nan 8.290 nan 0.000 0.482 741 L N 0.564 121.847 121.223 0.100 0.000 2.406 741 L HA 0.584 4.924 4.340 -0.000 0.000 0.270 741 L C 1.165 178.093 176.870 0.096 0.000 0.982 741 L CA -0.708 54.225 54.840 0.154 0.000 0.843 741 L CB 1.906 44.092 42.059 0.212 0.000 1.225 741 L HN 0.622 nan 8.230 nan 0.000 0.412 742 M N 2.983 122.636 119.600 0.089 0.000 2.296 742 M HA 0.376 4.856 4.480 -0.000 0.000 0.265 742 M C 0.681 177.034 176.300 0.088 0.000 1.064 742 M CA 1.221 56.569 55.300 0.079 0.000 1.109 742 M CB -0.393 32.259 32.600 0.087 0.000 1.396 742 M HN 0.692 nan 8.290 nan 0.000 0.430 743 G N -1.461 107.404 108.800 0.107 0.000 2.337 743 G HA2 0.399 4.359 3.960 -0.000 0.000 0.298 743 G HA3 0.399 4.359 3.960 -0.000 0.000 0.298 743 G C -2.074 172.899 174.900 0.122 0.000 1.335 743 G CA -0.937 44.224 45.100 0.102 0.000 0.875 743 G HN 0.233 nan 8.290 nan 0.000 0.579 744 L N -0.178 121.103 121.223 0.097 0.000 2.371 744 L HA 0.581 4.921 4.340 -0.000 0.000 0.262 744 L C 0.374 177.286 176.870 0.070 0.000 1.006 744 L CA -1.143 53.753 54.840 0.093 0.000 0.818 744 L CB 2.387 44.488 42.059 0.069 0.000 1.354 744 L HN 0.472 nan 8.230 nan 0.000 0.415 745 K N 0.250 120.687 120.400 0.062 0.000 2.120 745 K HA 0.364 4.684 4.320 -0.000 0.000 0.245 745 K C 0.897 177.510 176.600 0.020 0.000 1.024 745 K CA 0.039 56.342 56.287 0.026 0.000 0.906 745 K CB 1.038 33.543 32.500 0.008 0.000 1.051 745 K HN 0.756 nan 8.250 nan 0.000 0.491 746 A N 1.392 124.215 122.820 0.006 0.000 2.070 746 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 746 A C 1.295 178.884 177.584 0.008 0.000 1.159 746 A CA 2.051 54.091 52.037 0.006 0.000 0.656 746 A CB -0.529 18.469 19.000 -0.002 0.000 0.800 746 A HN 0.826 nan 8.150 nan 0.000 0.453 747 D N -2.421 117.984 120.400 0.008 0.000 2.340 747 D HA 0.270 4.910 4.640 -0.000 0.000 0.220 747 D C 1.171 177.482 176.300 0.018 0.000 1.039 747 D CA 0.929 54.935 54.000 0.010 0.000 0.866 747 D CB -0.503 40.301 40.800 0.007 0.000 0.913 747 D HN 0.734 nan 8.370 nan 0.000 0.523 748 G N 0.114 108.928 108.800 0.025 0.000 2.195 748 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.246 748 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.246 748 G C 0.492 175.417 174.900 0.042 0.000 0.984 748 G CA 0.407 45.526 45.100 0.031 0.000 0.633 748 G HN 0.779 nan 8.290 nan 0.000 0.525 749 T N 0.590 115.173 114.554 0.049 0.000 2.910 749 T HA 0.648 4.998 4.350 -0.000 0.000 0.293 749 T C -1.720 173.043 174.700 0.104 0.000 1.015 749 T CA -0.912 61.229 62.100 0.069 0.000 1.094 749 T CB 2.732 71.643 68.868 0.072 0.000 0.968 749 T HN 0.276 nan 8.240 nan 0.000 0.521 750 P HA 0.287 nan 4.420 nan 0.000 0.281 750 P C -1.193 176.286 177.300 0.299 0.000 1.281 750 P CA -0.883 62.311 63.100 0.157 0.000 0.811 750 P CB 1.178 32.930 31.700 0.087 0.000 1.154 751 W N 1.990 123.306 121.300 0.027 0.000 3.036 751 W HA 0.257 4.917 4.660 -0.000 0.000 0.337 751 W C -2.688 173.855 176.519 0.040 0.000 1.055 751 W CA -2.205 55.159 57.345 0.032 0.000 1.248 751 W CB 2.263 31.746 29.460 0.037 0.000 1.335 751 W HN 0.272 nan 8.180 nan 0.000 0.446 752 P HA 0.250 nan 4.420 nan 0.000 0.269 752 P C -0.884 176.245 177.300 -0.285 0.000 1.209 752 P CA 0.092 62.661 63.100 -0.884 0.000 0.776 752 P CB 1.557 32.827 31.700 -0.717 0.000 0.876 753 A N 2.869 125.596 122.820 -0.156 0.000 2.319 753 A HA 0.534 4.854 4.320 -0.000 0.000 0.310 753 A C -0.604 176.983 177.584 0.004 0.000 1.152 753 A CA -0.662 51.408 52.037 0.056 0.000 0.783 753 A CB 1.026 20.175 19.000 0.248 0.000 1.184 753 A HN 0.317 nan 8.150 nan 0.000 0.474 754 V N 2.469 122.372 119.914 -0.018 0.000 2.398 754 V HA 0.757 4.877 4.120 -0.000 0.000 0.286 754 V C 0.895 176.993 176.094 0.006 0.000 1.026 754 V CA 0.701 62.990 62.300 -0.019 0.000 0.868 754 V CB 0.468 32.265 31.823 -0.044 0.000 0.982 754 V HN 2.090 nan 8.190 nan 0.000 0.443 755 G N 4.177 112.987 108.800 0.017 0.000 2.829 755 G HA2 0.144 4.104 3.960 -0.000 0.000 0.628 755 G HA3 0.144 4.104 3.960 -0.000 0.000 0.628 755 G C 0.747 175.664 174.900 0.029 0.000 1.412 755 G CA -0.019 45.092 45.100 0.019 0.000 0.864 755 G HN 1.499 nan 8.290 nan 0.000 0.544 756 A N -0.406 122.428 122.820 0.023 0.000 2.070 756 A HA 0.295 4.615 4.320 -0.000 0.000 0.220 756 A C 2.720 180.318 177.584 0.023 0.000 1.159 756 A CA 2.395 54.447 52.037 0.024 0.000 0.656 756 A CB -0.640 18.370 19.000 0.017 0.000 0.800 756 A HN 2.347 nan 8.150 nan 0.000 0.453 757 G N -1.010 107.801 108.800 0.017 0.000 2.650 757 G HA2 0.056 4.016 3.960 -0.000 0.000 0.214 757 G HA3 0.056 4.016 3.960 -0.000 0.000 0.214 757 G C 0.649 175.561 174.900 0.020 0.000 1.136 757 G CA 0.444 45.552 45.100 0.014 0.000 0.789 757 G HN 0.463 nan 8.290 nan 0.000 0.536 758 K N 0.123 120.541 120.400 0.031 0.000 3.148 758 K HA -0.177 4.143 4.320 -0.000 0.000 0.267 758 K C 0.203 176.822 176.600 0.031 0.000 0.996 758 K CA 0.673 56.989 56.287 0.048 0.000 0.737 758 K CB -1.361 31.175 32.500 0.060 0.000 1.308 758 K HN 0.508 nan 8.250 nan 0.000 0.470 759 R N -0.017 120.487 120.500 0.007 0.000 2.546 759 R HA 0.523 4.863 4.340 -0.000 0.000 0.266 759 R C 0.647 176.927 176.300 -0.032 0.000 1.086 759 R CA -0.307 55.784 56.100 -0.015 0.000 1.160 759 R CB 1.346 31.631 30.300 -0.025 0.000 1.138 759 R HN 0.223 nan 8.270 nan 0.000 0.567 760 T N -1.068 113.452 114.554 -0.057 0.000 2.739 760 T HA 0.337 4.687 4.350 -0.000 0.000 0.303 760 T C -1.421 173.204 174.700 -0.126 0.000 1.389 760 T CA -0.396 61.656 62.100 -0.080 0.000 1.001 760 T CB 2.049 70.880 68.868 -0.061 0.000 1.436 760 T HN 0.550 nan 8.240 nan 0.000 0.500 761 T N 0.323 114.796 114.554 -0.135 0.000 2.841 761 T HA 0.651 5.001 4.350 -0.000 0.000 0.296 761 T C -1.477 173.139 174.700 -0.140 0.000 1.166 761 T CA -0.447 61.529 62.100 -0.207 0.000 1.007 761 T CB 0.544 69.340 68.868 -0.120 0.000 1.253 761 T HN 0.435 nan 8.240 nan 0.000 0.511 762 Y N 1.103 121.402 120.300 -0.001 0.000 2.610 762 Y HA 0.462 5.012 4.550 -0.000 0.000 0.332 762 Y C 1.239 177.138 175.900 -0.001 0.000 1.201 762 Y CA 0.309 58.410 58.100 0.002 0.000 1.465 762 Y CB 0.152 38.617 38.460 0.008 0.000 1.283 762 Y HN 0.752 nan 8.280 nan 0.000 0.563 763 G N 0.597 109.501 108.800 0.174 0.000 2.820 763 G HA2 0.592 4.552 3.960 -0.000 0.000 0.291 763 G HA3 0.592 4.552 3.960 -0.000 0.000 0.291 763 G C -0.535 174.413 174.900 0.080 0.000 1.323 763 G CA -0.769 44.385 45.100 0.090 0.000 1.055 763 G HN 0.848 nan 8.290 nan 0.000 0.520 764 G N -1.021 107.815 108.800 0.059 0.000 2.335 764 G HA2 0.497 4.457 3.960 -0.000 0.000 0.316 764 G HA3 0.497 4.457 3.960 -0.000 0.000 0.316 764 G C -0.641 174.296 174.900 0.062 0.000 1.129 764 G CA -0.231 44.902 45.100 0.054 0.000 0.899 764 G HN 0.579 nan 8.290 nan 0.000 0.448 765 V N 2.137 122.086 119.914 0.059 0.000 2.465 765 V HA 0.604 4.724 4.120 -0.000 0.000 0.279 765 V C 0.581 176.723 176.094 0.079 0.000 1.045 765 V CA -0.359 61.982 62.300 0.069 0.000 0.938 765 V CB 0.870 32.722 31.823 0.049 0.000 0.986 765 V HN 0.998 nan 8.190 nan 0.000 0.467 766 S N 2.821 118.590 115.700 0.115 0.000 2.709 766 S HA 1.021 5.491 4.470 -0.000 0.000 0.302 766 S C -0.043 174.647 174.600 0.149 0.000 1.127 766 S CA -0.104 58.171 58.200 0.126 0.000 0.905 766 S CB 1.981 65.263 63.200 0.138 0.000 1.151 766 S HN 2.135 nan 8.310 nan 0.000 0.510 767 G N 0.338 109.226 108.800 0.147 0.000 2.566 767 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.599 767 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.599 767 G C 0.568 175.527 174.900 0.098 0.000 1.292 767 G CA 0.557 45.742 45.100 0.141 0.000 0.922 767 G HN 1.911 nan 8.290 nan 0.000 0.514 768 T N -1.767 112.836 114.554 0.081 0.000 2.849 768 T HA 0.156 4.506 4.350 -0.000 0.000 0.270 768 T C 2.581 177.315 174.700 0.057 0.000 1.066 768 T CA 2.516 64.661 62.100 0.075 0.000 1.130 768 T CB -0.371 68.532 68.868 0.059 0.000 0.864 768 T HN 2.107 nan 8.240 nan 0.000 0.481 769 A N 2.045 124.886 122.820 0.035 0.000 2.019 769 A HA 0.171 4.491 4.320 -0.000 0.000 0.219 769 A C 2.272 179.879 177.584 0.039 0.000 1.164 769 A CA 1.316 53.367 52.037 0.024 0.000 0.644 769 A CB -0.819 18.183 19.000 0.003 0.000 0.805 769 A HN 0.906 nan 8.150 nan 0.000 0.449 770 I N -4.614 115.992 120.570 0.060 0.000 3.928 770 I HA 0.278 4.448 4.170 -0.000 0.000 0.335 770 I C 1.746 177.924 176.117 0.101 0.000 1.325 770 I CA 0.076 61.417 61.300 0.068 0.000 1.107 770 I CB 0.006 38.046 38.000 0.068 0.000 1.014 770 I HN 0.162 nan 8.210 nan 0.000 0.400 771 R N 2.155 122.727 120.500 0.121 0.000 2.105 771 R HA -0.069 4.271 4.340 -0.000 0.000 0.239 771 R C -0.554 175.823 176.300 0.129 0.000 1.135 771 R CA 1.939 58.153 56.100 0.189 0.000 0.967 771 R CB -1.139 29.271 30.300 0.184 0.000 0.861 771 R HN 0.316 nan 8.270 nan 0.000 0.442 772 P HA -0.121 nan 4.420 nan 0.000 0.217 772 P C 1.032 178.354 177.300 0.036 0.000 1.150 772 P CA 1.288 64.403 63.100 0.025 0.000 0.832 772 P CB 0.012 31.723 31.700 0.018 0.000 0.787 773 I N -0.957 119.648 120.570 0.058 0.000 2.286 773 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 773 I C 2.302 178.472 176.117 0.088 0.000 1.104 773 I CA 1.292 62.627 61.300 0.058 0.000 1.397 773 I CB -0.744 37.288 38.000 0.052 0.000 1.072 773 I HN -0.098 nan 8.210 nan 0.000 0.417 774 A N 0.591 123.499 122.820 0.146 0.000 1.898 774 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 774 A C 2.211 179.964 177.584 0.281 0.000 1.181 774 A CA 1.234 53.409 52.037 0.230 0.000 0.620 774 A CB -0.690 18.494 19.000 0.306 0.000 0.819 774 A HN 0.316 nan 8.150 nan 0.000 0.442 775 L N -0.037 121.274 121.223 0.146 0.000 2.083 775 L HA -0.108 4.232 4.340 -0.000 0.000 0.209 775 L C 2.513 179.359 176.870 -0.040 0.000 1.083 775 L CA 2.200 56.957 54.840 -0.139 0.000 0.752 775 L CB -0.596 41.265 42.059 -0.330 0.000 0.899 775 L HN 0.520 nan 8.230 nan 0.000 0.433 776 R N -0.824 119.679 120.500 0.005 0.000 2.075 776 R HA -0.142 4.198 4.340 -0.000 0.000 0.232 776 R C 2.152 178.474 176.300 0.036 0.000 1.126 776 R CA 1.334 57.442 56.100 0.013 0.000 0.963 776 R CB -0.311 30.000 30.300 0.018 0.000 0.858 776 R HN 0.394 nan 8.270 nan 0.000 0.435 777 A N 0.546 123.403 122.820 0.061 0.000 1.883 777 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 777 A C 2.298 179.927 177.584 0.075 0.000 1.186 777 A CA 1.763 53.840 52.037 0.067 0.000 0.624 777 A CB -0.732 18.315 19.000 0.079 0.000 0.822 777 A HN 0.233 nan 8.150 nan 0.000 0.444 778 V N 0.664 120.642 119.914 0.108 0.000 2.295 778 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 778 V C 3.063 179.196 176.094 0.064 0.000 1.049 778 V CA 2.600 64.966 62.300 0.109 0.000 1.024 778 V CB -1.465 30.485 31.823 0.212 0.000 0.648 778 V HN 0.870 nan 8.190 nan 0.000 0.447 779 T N -1.306 113.271 114.554 0.038 0.000 2.777 779 T HA -0.226 4.124 4.350 -0.000 0.000 0.266 779 T C 1.946 176.662 174.700 0.027 0.000 1.040 779 T CA 2.112 64.225 62.100 0.021 0.000 1.141 779 T CB -0.909 67.960 68.868 0.000 0.000 0.868 779 T HN 0.638 nan 8.240 nan 0.000 0.444 780 T N 0.653 115.225 114.554 0.030 0.000 2.821 780 T HA 0.063 4.413 4.350 -0.000 0.000 0.267 780 T C 2.066 176.787 174.700 0.035 0.000 1.046 780 T CA 0.966 63.082 62.100 0.028 0.000 1.139 780 T CB -0.808 68.076 68.868 0.027 0.000 0.871 780 T HN 0.464 nan 8.240 nan 0.000 0.454 781 I N 1.879 122.479 120.570 0.050 0.000 2.202 781 I HA -0.030 4.140 4.170 -0.000 0.000 0.242 781 I C 3.253 179.415 176.117 0.075 0.000 1.091 781 I CA 1.099 62.441 61.300 0.070 0.000 1.368 781 I CB -0.632 37.422 38.000 0.091 0.000 1.058 781 I HN 0.345 nan 8.210 nan 0.000 0.410 782 A N 0.938 123.795 122.820 0.061 0.000 1.940 782 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 782 A C 2.388 179.994 177.584 0.038 0.000 1.176 782 A CA 1.621 53.691 52.037 0.053 0.000 0.631 782 A CB -0.567 18.455 19.000 0.037 0.000 0.814 782 A HN 0.344 nan 8.150 nan 0.000 0.446 783 R N -0.837 119.679 120.500 0.026 0.000 2.090 783 R HA 0.042 4.382 4.340 -0.000 0.000 0.228 783 R C 2.420 178.726 176.300 0.009 0.000 1.110 783 R CA 1.074 57.181 56.100 0.012 0.000 0.973 783 R CB -0.346 29.958 30.300 0.007 0.000 0.869 783 R HN 0.498 nan 8.270 nan 0.000 0.440 784 A N 0.813 123.642 122.820 0.015 0.000 1.970 784 A HA 0.052 4.372 4.320 -0.000 0.000 0.216 784 A C 1.135 178.715 177.584 -0.006 0.000 1.170 784 A CA 0.718 52.757 52.037 0.002 0.000 0.645 784 A CB 0.175 19.176 19.000 0.003 0.000 0.816 784 A HN 0.139 nan 8.150 nan 0.000 0.447 785 L N 0.678 121.912 121.223 0.018 0.000 2.556 785 L HA 0.295 4.635 4.340 -0.000 0.000 0.243 785 L C -2.813 174.097 176.870 0.066 0.000 1.331 785 L CA -1.912 52.934 54.840 0.011 0.000 0.927 785 L CB 1.313 43.372 42.059 0.000 0.000 1.219 785 L HN -0.027 nan 8.230 nan 0.000 0.490 786 P HA 0.053 nan 4.420 nan 0.000 0.261 786 P C 1.084 178.421 177.300 0.062 0.000 1.183 786 P CA 0.906 64.029 63.100 0.038 0.000 0.761 786 P CB 0.856 32.562 31.700 0.011 0.000 0.785 787 G N 2.612 111.453 108.800 0.068 0.000 2.234 787 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.260 787 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.260 787 G C 0.052 175.036 174.900 0.139 0.000 0.987 787 G CA -0.466 44.679 45.100 0.074 0.000 0.625 787 G HN 0.525 nan 8.290 nan 0.000 0.532 788 F N 3.766 123.702 119.950 -0.023 0.000 2.502 788 F HA 0.542 5.069 4.527 -0.000 0.000 0.371 788 F C -1.559 174.223 175.800 -0.031 0.000 1.083 788 F CA -2.943 55.043 58.000 -0.024 0.000 1.174 788 F CB 0.547 39.532 39.000 -0.024 0.000 1.096 788 F HN -0.058 nan 8.300 nan 0.000 0.545 789 P HA 0.113 nan 4.420 nan 0.000 0.264 789 P C -0.777 176.225 177.300 -0.497 0.000 1.183 789 P CA 0.621 63.502 63.100 -0.365 0.000 0.763 789 P CB 0.329 31.853 31.700 -0.294 0.000 0.807 790 I N 3.492 123.852 120.570 -0.350 0.000 2.499 790 I HA 0.255 4.425 4.170 -0.000 0.000 0.288 790 I C -0.717 175.208 176.117 -0.320 0.000 1.048 790 I CA -0.910 60.210 61.300 -0.300 0.000 1.062 790 I CB 1.760 39.673 38.000 -0.144 0.000 1.238 790 I HN 0.022 nan 8.210 nan 0.000 0.426 791 L N 6.011 127.026 121.223 -0.348 0.000 2.265 791 L HA 0.642 4.982 4.340 -0.000 0.000 0.289 791 L C 0.435 177.190 176.870 -0.192 0.000 1.033 791 L CA -0.050 54.597 54.840 -0.322 0.000 0.814 791 L CB 1.418 43.248 42.059 -0.381 0.000 1.203 791 L HN 0.646 nan 8.230 nan 0.000 0.423 792 A N 2.209 124.917 122.820 -0.187 0.000 2.316 792 A HA 0.784 5.104 4.320 -0.000 0.000 0.284 792 A C 0.137 177.535 177.584 -0.309 0.000 1.115 792 A CA -0.174 51.716 52.037 -0.245 0.000 0.812 792 A CB 0.842 19.637 19.000 -0.342 0.000 1.064 792 A HN 0.661 nan 8.150 nan 0.000 0.489 793 T N -0.780 113.584 114.554 -0.317 0.000 3.193 793 T HA 0.611 4.961 4.350 -0.000 0.000 0.332 793 T C -0.520 174.063 174.700 -0.197 0.000 1.208 793 T CA 0.434 62.392 62.100 -0.237 0.000 1.080 793 T CB 0.943 69.758 68.868 -0.089 0.000 1.180 793 T HN 2.487 nan 8.240 nan 0.000 0.469 794 G N 1.214 109.915 108.800 -0.165 0.000 2.273 794 G HA2 0.475 4.435 3.960 -0.000 0.000 0.208 794 G HA3 0.475 4.435 3.960 -0.000 0.000 0.208 794 G C 0.781 175.714 174.900 0.055 0.000 1.779 794 G CA 0.496 45.586 45.100 -0.016 0.000 1.173 794 G HN 2.248 nan 8.290 nan 0.000 0.616 795 G N -0.014 108.825 108.800 0.067 0.000 2.136 795 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.242 795 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.242 795 G C 0.485 175.459 174.900 0.122 0.000 0.989 795 G CA 0.311 45.482 45.100 0.118 0.000 0.682 795 G HN 1.388 nan 8.290 nan 0.000 0.522 796 I N 1.655 122.247 120.570 0.035 0.000 2.379 796 I HA 0.315 4.485 4.170 -0.000 0.000 0.290 796 I C 0.558 176.688 176.117 0.023 0.000 1.063 796 I CA 0.288 61.600 61.300 0.020 0.000 1.351 796 I CB 0.897 38.840 38.000 -0.095 0.000 1.410 796 I HN 0.278 nan 8.210 nan 0.000 0.505 797 D N 3.547 123.946 120.400 -0.003 0.000 2.651 797 D HA 0.120 4.760 4.640 -0.000 0.000 0.280 797 D C -0.232 176.049 176.300 -0.033 0.000 1.496 797 D CA -0.177 53.850 54.000 0.044 0.000 0.792 797 D CB 0.304 41.185 40.800 0.134 0.000 1.144 797 D HN 0.462 nan 8.370 nan 0.000 0.470 798 S N -2.170 113.338 115.700 -0.320 0.000 2.627 798 S HA 0.589 5.059 4.470 -0.000 0.000 0.268 798 S C 0.765 175.215 174.600 -0.250 0.000 1.130 798 S CA -0.409 57.657 58.200 -0.224 0.000 0.819 798 S CB 0.974 64.182 63.200 0.013 0.000 1.100 798 S HN 0.145 nan 8.310 nan 0.000 0.465 799 A N 0.813 123.585 122.820 -0.080 0.000 1.902 799 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 799 A C 1.944 179.581 177.584 0.087 0.000 1.181 799 A CA 1.816 53.899 52.037 0.078 0.000 0.623 799 A CB -1.101 17.971 19.000 0.120 0.000 0.818 799 A HN 0.939 nan 8.150 nan 0.000 0.443 800 E N 0.704 120.935 120.200 0.051 0.000 2.038 800 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 800 E C 2.208 178.846 176.600 0.064 0.000 1.000 800 E CA 2.009 58.441 56.400 0.053 0.000 0.803 800 E CB -0.174 29.549 29.700 0.039 0.000 0.750 800 E HN 0.703 nan 8.360 nan 0.000 0.448 801 S N -0.333 115.409 115.700 0.070 0.000 2.402 801 S HA -0.037 4.433 4.470 -0.000 0.000 0.229 801 S C 2.163 176.890 174.600 0.212 0.000 1.021 801 S CA 0.920 59.194 58.200 0.123 0.000 0.974 801 S CB -0.614 62.667 63.200 0.135 0.000 0.800 801 S HN 0.388 nan 8.310 nan 0.000 0.484 802 G N 2.021 110.913 108.800 0.155 0.000 2.418 802 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.217 802 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.217 802 G C 1.345 176.304 174.900 0.098 0.000 1.158 802 G CA 0.924 46.121 45.100 0.163 0.000 0.771 802 G HN 0.477 nan 8.290 nan 0.000 0.545 803 L N 0.502 121.746 121.223 0.035 0.000 2.131 803 L HA -0.022 4.318 4.340 -0.000 0.000 0.210 803 L C 2.773 179.578 176.870 -0.108 0.000 1.092 803 L CA 1.768 56.544 54.840 -0.106 0.000 0.759 803 L CB -0.562 41.426 42.059 -0.118 0.000 0.903 803 L HN 0.322 nan 8.230 nan 0.000 0.435 804 Q N -1.445 118.366 119.800 0.019 0.000 2.084 804 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 804 Q C 2.159 178.121 176.000 -0.063 0.000 0.978 804 Q CA 1.970 57.774 55.803 0.001 0.000 0.844 804 Q CB -0.257 28.434 28.738 -0.078 0.000 0.898 804 Q HN 0.507 nan 8.270 nan 0.000 0.426 805 F N 0.401 120.346 119.950 -0.009 0.000 2.206 805 F HA -0.132 4.395 4.527 -0.000 0.000 0.298 805 F C 2.005 177.780 175.800 -0.042 0.000 1.090 805 F CA 0.833 58.820 58.000 -0.021 0.000 1.323 805 F CB -0.113 38.863 39.000 -0.040 0.000 1.028 805 F HN 0.009 nan 8.300 nan 0.000 0.492 806 L N -1.037 120.233 121.223 0.078 0.000 2.046 806 L HA -0.259 4.081 4.340 -0.000 0.000 0.208 806 L C 2.278 179.167 176.870 0.031 0.000 1.077 806 L CA 1.610 56.438 54.840 -0.021 0.000 0.747 806 L CB -0.938 41.042 42.059 -0.132 0.000 0.896 806 L HN 0.222 nan 8.230 nan 0.000 0.432 807 H N -1.190 117.886 119.070 0.010 0.000 2.456 807 H HA -0.104 4.452 4.556 -0.000 0.000 0.296 807 H C 2.181 177.508 175.328 -0.002 0.000 1.079 807 H CA 0.945 56.997 56.048 0.006 0.000 1.322 807 H CB 0.282 30.050 29.762 0.011 0.000 1.388 807 H HN 0.234 nan 8.280 nan 0.000 0.538 808 S N -1.127 114.637 115.700 0.107 0.000 2.603 808 S HA 0.094 4.564 4.470 -0.000 0.000 0.220 808 S C 1.580 176.207 174.600 0.046 0.000 0.967 808 S CA 0.621 58.845 58.200 0.040 0.000 0.920 808 S CB 0.707 63.882 63.200 -0.041 0.000 0.773 808 S HN 0.780 nan 8.310 nan 0.000 0.529 809 G N 0.602 109.432 108.800 0.050 0.000 2.229 809 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.189 809 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.189 809 G C 0.105 175.005 174.900 -0.001 0.000 1.000 809 G CA -0.275 44.841 45.100 0.026 0.000 0.663 809 G HN 0.727 nan 8.290 nan 0.000 0.493 810 A N 0.323 123.151 122.820 0.013 0.000 2.322 810 A HA 0.822 5.142 4.320 -0.000 0.000 0.269 810 A C 1.305 178.820 177.584 -0.115 0.000 1.094 810 A CA 1.029 53.037 52.037 -0.049 0.000 0.807 810 A CB 1.003 20.006 19.000 0.005 0.000 1.047 810 A HN 0.723 nan 8.150 nan 0.000 0.487 811 S N -0.738 114.837 115.700 -0.208 0.000 2.499 811 S HA 0.213 4.683 4.470 -0.000 0.000 0.225 811 S C 0.692 175.070 174.600 -0.369 0.000 1.050 811 S CA 0.775 58.818 58.200 -0.261 0.000 0.928 811 S CB -0.034 62.995 63.200 -0.284 0.000 0.803 811 S HN 1.175 nan 8.310 nan 0.000 0.506 812 V N -0.345 119.309 119.914 -0.433 0.000 3.102 812 V HA 0.724 4.843 4.120 -0.000 0.000 0.312 812 V C -1.472 174.485 176.094 -0.229 0.000 1.135 812 V CA -1.210 60.817 62.300 -0.455 0.000 1.022 812 V CB 1.696 32.979 31.823 -0.899 0.000 1.056 812 V HN 0.146 nan 8.190 nan 0.000 0.436 813 L N 1.798 122.975 121.223 -0.077 0.000 2.372 813 L HA 0.599 4.939 4.340 -0.000 0.000 0.274 813 L C -0.266 176.671 176.870 0.112 0.000 0.988 813 L CA -0.409 54.394 54.840 -0.061 0.000 0.833 813 L CB 1.710 43.656 42.059 -0.187 0.000 1.236 813 L HN 0.707 nan 8.230 nan 0.000 0.410 814 Q N 2.300 122.136 119.800 0.059 0.000 2.235 814 Q HA 0.679 5.019 4.340 -0.000 0.000 0.250 814 Q C -1.000 175.021 176.000 0.035 0.000 0.909 814 Q CA -0.653 55.183 55.803 0.054 0.000 0.910 814 Q CB 3.042 31.818 28.738 0.063 0.000 1.223 814 Q HN 0.402 nan 8.270 nan 0.000 0.432 815 V N 1.256 121.213 119.914 0.071 0.000 2.709 815 V HA 0.293 4.413 4.120 -0.000 0.000 0.308 815 V C -0.259 175.855 176.094 0.033 0.000 1.062 815 V CA -0.601 61.774 62.300 0.124 0.000 0.901 815 V CB 1.621 33.681 31.823 0.395 0.000 1.003 815 V HN 1.113 nan 8.190 nan 0.000 0.425 816 C N 2.342 121.669 119.300 0.045 0.000 3.066 816 C HA 0.105 4.565 4.460 -0.000 0.000 0.277 816 C C 2.615 177.615 174.990 0.017 0.000 2.279 816 C CA 1.294 60.311 59.018 -0.003 0.000 1.720 816 C CB 0.550 28.278 27.740 -0.020 0.000 1.478 816 C HN 0.829 nan 8.230 nan 0.000 0.723 817 S N 1.698 117.438 115.700 0.067 0.000 2.387 817 S HA -0.121 4.348 4.470 -0.000 0.000 0.230 817 S C 1.996 176.721 174.600 0.208 0.000 1.035 817 S CA 1.796 60.085 58.200 0.150 0.000 1.014 817 S CB -0.634 62.759 63.200 0.321 0.000 0.836 817 S HN 0.877 nan 8.310 nan 0.000 0.466 818 A N 0.692 123.637 122.820 0.209 0.000 1.972 818 A HA -0.037 4.283 4.320 -0.000 0.000 0.219 818 A C 2.268 179.977 177.584 0.208 0.000 1.169 818 A CA 1.388 53.572 52.037 0.245 0.000 0.635 818 A CB -0.598 18.599 19.000 0.328 0.000 0.810 818 A HN 0.378 nan 8.150 nan 0.000 0.446 819 V N -0.469 119.540 119.914 0.158 0.000 2.535 819 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 819 V C 2.495 178.563 176.094 -0.044 0.000 1.045 819 V CA 1.800 64.142 62.300 0.070 0.000 1.058 819 V CB -0.714 31.129 31.823 0.033 0.000 0.689 819 V HN 0.616 nan 8.190 nan 0.000 0.461 820 Q N -0.016 119.735 119.800 -0.081 0.000 2.170 820 Q HA -0.182 4.158 4.340 -0.000 0.000 0.203 820 Q C 1.931 177.915 176.000 -0.027 0.000 0.976 820 Q CA 1.269 56.955 55.803 -0.194 0.000 0.858 820 Q CB -0.206 28.210 28.738 -0.538 0.000 0.907 820 Q HN 0.568 nan 8.270 nan 0.000 0.433 821 N N -0.468 118.314 118.700 0.137 0.000 2.494 821 N HA -0.077 4.663 4.740 -0.000 0.000 0.182 821 N C 1.029 176.601 175.510 0.104 0.000 1.076 821 N CA 0.778 53.956 53.050 0.213 0.000 0.908 821 N CB 0.500 39.134 38.487 0.244 0.000 0.967 821 N HN 0.194 nan 8.380 nan 0.000 0.449 822 Q N -0.089 119.742 119.800 0.052 0.000 2.209 822 Q HA 0.182 4.522 4.340 -0.000 0.000 0.201 822 Q C -1.460 174.512 176.000 -0.046 0.000 0.732 822 Q CA 0.105 55.918 55.803 0.016 0.000 0.555 822 Q CB 0.583 29.343 28.738 0.038 0.000 2.685 822 Q HN 0.211 nan 8.270 nan 0.000 0.224 823 D N -2.295 118.078 120.400 -0.045 0.000 2.738 823 D HA 0.202 4.842 4.640 -0.000 0.000 0.308 823 D C -0.317 175.994 176.300 0.019 0.000 1.311 823 D CA -0.586 53.334 54.000 -0.133 0.000 0.799 823 D CB -0.511 40.229 40.800 -0.101 0.000 1.332 823 D HN 0.136 nan 8.370 nan 0.000 0.441 824 F N 0.145 120.147 119.950 0.087 0.000 2.269 824 F HA -0.030 4.497 4.527 -0.000 0.000 0.301 824 F C 2.678 178.636 175.800 0.262 0.000 1.082 824 F CA 1.589 59.736 58.000 0.244 0.000 1.360 824 F CB -1.136 37.962 39.000 0.163 0.000 1.041 824 F HN 0.644 nan 8.300 nan 0.000 0.512 825 T N -1.986 112.714 114.554 0.243 0.000 3.077 825 T HA -0.094 4.255 4.350 -0.000 0.000 0.269 825 T C 1.921 176.552 174.700 -0.114 0.000 1.146 825 T CA 1.032 63.171 62.100 0.066 0.000 1.091 825 T CB -1.259 67.624 68.868 0.025 0.000 0.892 825 T HN 0.216 nan 8.240 nan 0.000 0.533 826 V N -0.736 119.079 119.914 -0.164 0.000 2.867 826 V HA -0.009 4.111 4.120 -0.000 0.000 0.260 826 V C 2.303 177.757 176.094 -1.067 0.000 1.099 826 V CA 1.056 63.024 62.300 -0.554 0.000 1.122 826 V CB -1.335 30.141 31.823 -0.578 0.000 0.708 826 V HN 0.448 nan 8.190 nan 0.000 0.490 827 I N 0.917 120.955 120.570 -0.887 0.000 2.335 827 I HA -0.223 3.947 4.170 -0.000 0.000 0.251 827 I C 2.496 178.217 176.117 -0.659 0.000 1.129 827 I CA 2.069 62.685 61.300 -1.141 0.000 1.402 827 I CB -0.641 36.501 38.000 -1.429 0.000 1.069 827 I HN 0.458 nan 8.210 nan 0.000 0.424 828 Q N 0.360 119.910 119.800 -0.416 0.000 2.124 828 Q HA -0.281 4.059 4.340 -0.000 0.000 0.202 828 Q C 1.860 177.733 176.000 -0.212 0.000 0.977 828 Q CA 2.357 58.019 55.803 -0.234 0.000 0.850 828 Q CB -0.415 28.239 28.738 -0.141 0.000 0.901 828 Q HN 0.690 nan 8.270 nan 0.000 0.429 829 D N -0.835 119.397 120.400 -0.280 0.000 2.117 829 D HA -0.175 4.465 4.640 -0.000 0.000 0.198 829 D C 1.590 177.843 176.300 -0.079 0.000 0.982 829 D CA 1.155 55.062 54.000 -0.156 0.000 0.828 829 D CB -0.148 40.562 40.800 -0.151 0.000 0.967 829 D HN 0.246 nan 8.370 nan 0.000 0.464 830 Y N 0.450 120.506 120.300 -0.407 0.000 2.181 830 Y HA -0.118 4.432 4.550 -0.000 0.000 0.288 830 Y C 2.772 178.375 175.900 -0.496 0.000 1.146 830 Y CA 0.210 57.900 58.100 -0.683 0.000 1.164 830 Y CB -1.243 36.316 38.460 -1.502 0.000 0.982 830 Y HN 0.221 nan 8.280 nan 0.000 0.515 831 C N -0.291 118.885 119.300 -0.207 0.000 2.476 831 C HA -0.142 4.318 4.460 -0.000 0.000 0.278 831 C C 2.863 177.902 174.990 0.082 0.000 1.274 831 C CA 1.795 60.820 59.018 0.012 0.000 1.713 831 C CB -1.379 26.359 27.740 -0.002 0.000 2.039 831 C HN 0.705 nan 8.230 nan 0.000 0.484 832 T N -0.770 113.825 114.554 0.068 0.000 2.867 832 T HA -0.018 4.332 4.350 -0.000 0.000 0.268 832 T C 1.920 176.746 174.700 0.210 0.000 1.057 832 T CA 1.744 63.947 62.100 0.171 0.000 1.136 832 T CB -0.713 68.259 68.868 0.173 0.000 0.874 832 T HN 0.516 nan 8.240 nan 0.000 0.466 833 G N 1.407 110.294 108.800 0.146 0.000 2.402 833 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.216 833 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.216 833 G C 1.436 176.420 174.900 0.141 0.000 1.162 833 G CA 0.851 46.039 45.100 0.146 0.000 0.777 833 G HN 0.457 nan 8.290 nan 0.000 0.539 834 L N 0.549 121.870 121.223 0.163 0.000 2.093 834 L HA 0.161 4.501 4.340 -0.000 0.000 0.208 834 L C 2.691 179.636 176.870 0.125 0.000 1.085 834 L CA 1.732 56.677 54.840 0.174 0.000 0.755 834 L CB -0.465 41.766 42.059 0.287 0.000 0.904 834 L HN 0.123 nan 8.230 nan 0.000 0.435 835 K N -0.575 119.895 120.400 0.117 0.000 2.063 835 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 835 K C 2.079 178.701 176.600 0.037 0.000 1.048 835 K CA 1.393 57.724 56.287 0.073 0.000 0.928 835 K CB -0.395 32.137 32.500 0.053 0.000 0.713 835 K HN 0.460 nan 8.250 nan 0.000 0.442 836 A N 1.420 124.244 122.820 0.006 0.000 1.902 836 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 836 A C 2.142 179.783 177.584 0.095 0.000 1.181 836 A CA 1.210 53.226 52.037 -0.034 0.000 0.623 836 A CB -0.633 18.381 19.000 0.023 0.000 0.818 836 A HN 0.152 nan 8.150 nan 0.000 0.443 837 L N -0.590 120.695 121.223 0.104 0.000 2.046 837 L HA -0.194 4.145 4.340 -0.000 0.000 0.208 837 L C 2.569 179.492 176.870 0.088 0.000 1.077 837 L CA 1.120 56.023 54.840 0.104 0.000 0.747 837 L CB -0.496 41.617 42.059 0.090 0.000 0.896 837 L HN 0.388 nan 8.230 nan 0.000 0.432 838 L N -1.948 119.325 121.223 0.083 0.000 2.056 838 L HA -0.243 4.097 4.340 -0.000 0.000 0.207 838 L C 2.610 179.517 176.870 0.062 0.000 1.078 838 L CA 1.216 56.094 54.840 0.064 0.000 0.749 838 L CB -0.721 41.375 42.059 0.061 0.000 0.901 838 L HN 0.181 nan 8.230 nan 0.000 0.433 839 Y N 1.113 121.393 120.300 -0.034 0.000 2.128 839 Y HA -0.269 4.281 4.550 -0.000 0.000 0.284 839 Y C 2.392 178.258 175.900 -0.056 0.000 1.154 839 Y CA 1.626 59.693 58.100 -0.055 0.000 1.149 839 Y CB -0.277 38.123 38.460 -0.100 0.000 0.976 839 Y HN -0.008 nan 8.280 nan 0.000 0.505 840 L N 0.153 121.407 121.223 0.053 0.000 2.261 840 L HA -0.240 4.100 4.340 -0.000 0.000 0.216 840 L C 2.134 178.930 176.870 -0.123 0.000 1.114 840 L CA 1.417 56.226 54.840 -0.051 0.000 0.777 840 L CB -0.492 41.588 42.059 0.034 0.000 0.910 840 L HN 0.200 nan 8.230 nan 0.000 0.440 841 K N -0.274 120.077 120.400 -0.082 0.000 2.442 841 K HA -0.078 4.242 4.320 -0.000 0.000 0.198 841 K C 2.055 178.578 176.600 -0.128 0.000 1.042 841 K CA 1.308 57.553 56.287 -0.070 0.000 0.958 841 K CB -0.022 32.468 32.500 -0.016 0.000 0.766 841 K HN 0.352 nan 8.250 nan 0.000 0.474 842 S N 0.080 115.651 115.700 -0.215 0.000 2.556 842 S HA 0.118 4.588 4.470 -0.000 0.000 0.216 842 S C 0.609 175.049 174.600 -0.267 0.000 0.970 842 S CA -0.343 57.714 58.200 -0.238 0.000 0.912 842 S CB 0.176 63.199 63.200 -0.295 0.000 0.790 842 S HN -0.030 nan 8.310 nan 0.000 0.504 843 I N 2.978 123.372 120.570 -0.292 0.000 2.291 843 I HA 0.328 4.498 4.170 -0.000 0.000 0.290 843 I C 1.372 177.315 176.117 -0.290 0.000 1.050 843 I CA -0.180 60.945 61.300 -0.290 0.000 1.245 843 I CB 0.622 38.452 38.000 -0.282 0.000 1.405 843 I HN 0.398 nan 8.210 nan 0.000 0.478 844 E N 5.519 125.556 120.200 -0.270 0.000 2.118 844 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 844 E C 1.302 177.717 176.600 -0.308 0.000 0.992 844 E CA 1.323 57.578 56.400 -0.242 0.000 0.804 844 E CB 0.441 30.025 29.700 -0.194 0.000 0.741 844 E HN 0.615 nan 8.360 nan 0.000 0.458 845 E N 0.257 120.158 120.200 -0.497 0.000 2.516 845 E HA -0.137 4.213 4.350 -0.000 0.000 0.199 845 E C 1.305 177.617 176.600 -0.479 0.000 1.069 845 E CA 0.509 56.561 56.400 -0.581 0.000 0.876 845 E CB 0.017 29.058 29.700 -1.098 0.000 0.843 845 E HN 0.420 nan 8.360 nan 0.000 0.530 846 L N 0.704 121.646 121.223 -0.467 0.000 3.066 846 L HA 0.210 4.550 4.340 -0.000 0.000 0.265 846 L C 2.087 178.788 176.870 -0.282 0.000 1.232 846 L CA -0.161 54.347 54.840 -0.553 0.000 1.031 846 L CB 0.190 41.708 42.059 -0.902 0.000 1.379 846 L HN 0.009 nan 8.230 nan 0.000 0.563 847 Q N 0.997 120.711 119.800 -0.144 0.000 2.226 847 Q HA -0.123 4.217 4.340 -0.000 0.000 0.204 847 Q C 1.973 178.014 176.000 0.068 0.000 0.975 847 Q CA 1.528 57.307 55.803 -0.041 0.000 0.866 847 Q CB 0.124 28.829 28.738 -0.054 0.000 0.915 847 Q HN 0.604 nan 8.270 nan 0.000 0.440 848 G N -0.603 108.280 108.800 0.138 0.000 2.744 848 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.211 848 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.211 848 G C -0.354 174.736 174.900 0.317 0.000 1.143 848 G CA -0.391 44.830 45.100 0.201 0.000 0.788 848 G HN 0.155 nan 8.290 nan 0.000 0.534 849 W N 0.244 121.560 121.300 0.028 0.000 2.161 849 W HA 0.474 5.134 4.660 -0.000 0.000 0.344 849 W C -0.367 176.182 176.519 0.051 0.000 1.262 849 W CA -1.299 56.078 57.345 0.053 0.000 1.270 849 W CB 0.643 30.146 29.460 0.071 0.000 1.126 849 W HN -0.075 nan 8.180 nan 0.000 0.598 850 D N 0.508 121.070 120.400 0.271 0.000 2.472 850 D HA 0.415 5.055 4.640 -0.000 0.000 0.234 850 D C 0.809 177.235 176.300 0.211 0.000 1.088 850 D CA 0.678 54.785 54.000 0.179 0.000 0.882 850 D CB 0.130 40.994 40.800 0.106 0.000 1.037 850 D HN 0.548 nan 8.370 nan 0.000 0.520 851 G N 3.950 112.881 108.800 0.219 0.000 2.561 851 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.289 851 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.289 851 G C 0.719 175.817 174.900 0.330 0.000 1.169 851 G CA 0.376 45.602 45.100 0.210 0.000 0.980 851 G HN 0.542 nan 8.290 nan 0.000 0.550 852 Q N 0.513 120.488 119.800 0.291 0.000 2.360 852 Q HA 0.319 4.659 4.340 -0.000 0.000 0.202 852 Q C 0.453 176.743 176.000 0.484 0.000 0.915 852 Q CA 0.479 56.547 55.803 0.442 0.000 0.943 852 Q CB 0.432 29.317 28.738 0.245 0.000 1.064 852 Q HN 0.313 nan 8.270 nan 0.000 0.511 853 S N 2.601 118.487 115.700 0.309 0.000 2.430 853 S HA 0.309 4.779 4.470 -0.000 0.000 0.289 853 S C -2.319 172.067 174.600 -0.357 0.000 1.143 853 S CA -1.162 57.104 58.200 0.110 0.000 1.067 853 S CB 1.022 64.317 63.200 0.158 0.000 0.964 853 S HN 0.025 nan 8.310 nan 0.000 0.485 854 P HA 0.141 nan 4.420 nan 0.000 0.270 854 P C 0.341 177.264 177.300 -0.628 0.000 1.223 854 P CA -0.178 61.944 63.100 -1.630 0.000 0.785 854 P CB 0.349 31.288 31.700 -1.268 0.000 0.923 855 G N 1.118 109.668 108.800 -0.416 0.000 2.353 855 G HA2 0.110 4.070 3.960 -0.000 0.000 0.239 855 G HA3 0.110 4.070 3.960 -0.000 0.000 0.239 855 G C -0.221 174.612 174.900 -0.111 0.000 1.295 855 G CA -0.071 44.954 45.100 -0.125 0.000 0.884 855 G HN 0.361 nan 8.290 nan 0.000 0.537 856 T N 2.249 116.772 114.554 -0.052 0.000 2.817 856 T HA 0.196 4.546 4.350 -0.000 0.000 0.295 856 T C 0.371 175.081 174.700 0.017 0.000 0.958 856 T CA 0.343 62.430 62.100 -0.022 0.000 1.157 856 T CB 1.016 69.895 68.868 0.019 0.000 0.898 856 T HN 0.601 nan 8.240 nan 0.000 0.536 857 E N 2.009 122.223 120.200 0.023 0.000 2.242 857 E HA 0.363 4.712 4.350 -0.000 0.000 0.275 857 E C -0.051 176.635 176.600 0.143 0.000 1.002 857 E CA -0.333 56.102 56.400 0.059 0.000 0.841 857 E CB 1.035 30.756 29.700 0.034 0.000 1.109 857 E HN 0.503 nan 8.360 nan 0.000 0.394 858 S N 3.568 119.331 115.700 0.106 0.000 2.546 858 S HA 0.050 4.520 4.470 -0.000 0.000 0.290 858 S C -0.627 174.058 174.600 0.142 0.000 1.262 858 S CA -0.079 58.177 58.200 0.094 0.000 1.083 858 S CB -0.348 62.877 63.200 0.042 0.000 0.859 858 S HN 0.598 nan 8.310 nan 0.000 0.495 859 H N 2.785 121.860 119.070 0.009 0.000 2.960 859 H HA 0.549 5.105 4.556 -0.000 0.000 0.323 859 H C -1.677 173.659 175.328 0.012 0.000 1.326 859 H CA -0.998 55.057 56.048 0.011 0.000 1.124 859 H CB 0.959 30.727 29.762 0.010 0.000 1.853 859 H HN 0.490 nan 8.280 nan 0.000 0.536 860 Q N 0.872 120.641 119.800 -0.051 0.000 2.263 860 Q HA 0.228 4.568 4.340 -0.000 0.000 0.262 860 Q C -0.561 175.498 176.000 0.099 0.000 0.984 860 Q CA -0.514 55.245 55.803 -0.072 0.000 0.813 860 Q CB 2.353 31.070 28.738 -0.035 0.000 1.299 860 Q HN 0.855 nan 8.270 nan 0.000 0.428 861 K N 0.874 121.347 120.400 0.123 0.000 3.160 861 K HA -0.288 4.032 4.320 -0.000 0.000 0.280 861 K C 0.669 177.369 176.600 0.166 0.000 1.154 861 K CA 0.752 57.113 56.287 0.124 0.000 0.822 861 K CB -1.387 31.150 32.500 0.062 0.000 1.239 861 K HN 1.150 nan 8.250 nan 0.000 0.489 862 G N 0.054 109.061 108.800 0.346 0.000 2.179 862 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.260 862 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.260 862 G C -0.119 174.830 174.900 0.082 0.000 0.977 862 G CA 0.902 46.047 45.100 0.075 0.000 0.641 862 G HN 0.323 nan 8.290 nan 0.000 0.533 863 K N 1.893 122.384 120.400 0.152 0.000 2.213 863 K HA 0.441 4.761 4.320 -0.000 0.000 0.270 863 K C -2.312 174.369 176.600 0.135 0.000 1.002 863 K CA -1.943 54.411 56.287 0.112 0.000 0.868 863 K CB 2.133 34.688 32.500 0.091 0.000 1.093 863 K HN 0.077 nan 8.250 nan 0.000 0.454 864 P HA -0.079 nan 4.420 nan 0.000 0.264 864 P C -0.155 177.192 177.300 0.078 0.000 1.183 864 P CA -0.079 63.081 63.100 0.100 0.000 0.763 864 P CB 0.546 32.287 31.700 0.070 0.000 0.807 865 V N 6.317 126.272 119.914 0.068 0.000 2.614 865 V HA 0.109 4.229 4.120 -0.000 0.000 0.291 865 V C -1.702 174.413 176.094 0.035 0.000 1.049 865 V CA -1.264 61.060 62.300 0.039 0.000 1.038 865 V CB -0.005 31.829 31.823 0.019 0.000 0.980 865 V HN 0.565 nan 8.190 nan 0.000 0.481 866 P HA 0.193 nan 4.420 nan 0.000 0.267 866 P C -0.443 176.871 177.300 0.022 0.000 1.209 866 P CA 0.001 63.118 63.100 0.028 0.000 0.763 866 P CB 0.217 31.930 31.700 0.022 0.000 0.816 867 R N 3.888 124.404 120.500 0.026 0.000 2.870 867 R HA 0.365 4.705 4.340 -0.000 0.000 0.254 867 R C -0.107 176.205 176.300 0.020 0.000 1.392 867 R CA -0.172 55.941 56.100 0.022 0.000 1.322 867 R CB -0.198 30.118 30.300 0.026 0.000 1.205 867 R HN 0.492 nan 8.270 nan 0.000 0.597 868 I N 0.661 121.240 120.570 0.014 0.000 2.474 868 I HA 0.231 4.401 4.170 -0.000 0.000 0.294 868 I C 1.246 177.368 176.117 0.007 0.000 1.005 868 I CA -0.549 60.758 61.300 0.012 0.000 1.113 868 I CB 2.043 40.049 38.000 0.010 0.000 1.289 868 I HN 0.454 nan 8.210 nan 0.000 0.436 869 A N 4.414 127.239 122.820 0.008 0.000 1.892 869 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 869 A C 1.833 179.417 177.584 0.000 0.000 1.188 869 A CA 1.727 53.766 52.037 0.004 0.000 0.631 869 A CB -0.519 18.484 19.000 0.005 0.000 0.822 869 A HN 0.850 nan 8.150 nan 0.000 0.447 870 E N -1.248 118.951 120.200 -0.000 0.000 2.472 870 E HA -0.067 4.283 4.350 -0.000 0.000 0.200 870 E C 1.413 178.008 176.600 -0.008 0.000 1.046 870 E CA 0.434 56.831 56.400 -0.004 0.000 0.871 870 E CB -0.030 29.668 29.700 -0.004 0.000 0.806 870 E HN 0.455 nan 8.360 nan 0.000 0.533 871 L N 0.062 121.280 121.223 -0.008 0.000 2.425 871 L HA 0.116 4.455 4.340 -0.000 0.000 0.215 871 L C 0.536 177.396 176.870 -0.017 0.000 1.065 871 L CA 0.565 55.397 54.840 -0.013 0.000 0.842 871 L CB 0.200 42.254 42.059 -0.010 0.000 1.033 871 L HN 0.029 nan 8.230 nan 0.000 0.474 872 M N 0.118 119.711 119.600 -0.011 0.000 2.252 872 M HA 0.193 4.672 4.480 -0.000 0.000 0.333 872 M C 1.417 177.707 176.300 -0.016 0.000 1.111 872 M CA 0.671 55.964 55.300 -0.012 0.000 1.140 872 M CB -1.159 31.438 32.600 -0.005 0.000 1.538 872 M HN 0.384 nan 8.290 nan 0.000 0.448 873 G N 2.941 111.729 108.800 -0.020 0.000 2.422 873 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.301 873 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.301 873 G C 0.744 175.628 174.900 -0.027 0.000 0.981 873 G CA 0.687 45.773 45.100 -0.022 0.000 0.994 873 G HN 0.808 nan 8.290 nan 0.000 0.514 874 K N -0.393 119.985 120.400 -0.035 0.000 2.374 874 K HA 0.163 4.483 4.320 -0.000 0.000 0.202 874 K C 1.024 177.590 176.600 -0.057 0.000 1.040 874 K CA -0.096 56.169 56.287 -0.036 0.000 1.085 874 K CB 0.313 32.797 32.500 -0.028 0.000 0.873 874 K HN 0.438 nan 8.250 nan 0.000 0.539 875 K N 1.354 121.705 120.400 -0.082 0.000 3.419 875 K HA -0.168 4.152 4.320 -0.000 0.000 0.272 875 K C -0.886 175.581 176.600 -0.222 0.000 0.973 875 K CA 0.433 56.636 56.287 -0.140 0.000 0.749 875 K CB -1.459 30.966 32.500 -0.126 0.000 1.403 875 K HN 0.216 nan 8.250 nan 0.000 0.456 876 L N 0.942 122.051 121.223 -0.191 0.000 2.313 876 L HA 0.328 4.668 4.340 -0.000 0.000 0.273 876 L C -2.093 174.607 176.870 -0.284 0.000 1.028 876 L CA -2.116 52.599 54.840 -0.209 0.000 0.871 876 L CB 0.894 42.908 42.059 -0.074 0.000 1.242 876 L HN -0.065 nan 8.230 nan 0.000 0.434 877 P HA 0.050 nan 4.420 nan 0.000 0.273 877 P C -0.294 176.784 177.300 -0.369 0.000 1.250 877 P CA -0.333 62.475 63.100 -0.486 0.000 0.793 877 P CB 0.559 31.722 31.700 -0.894 0.000 1.011 878 N N 1.219 119.832 118.700 -0.146 0.000 3.091 878 N HA 0.175 4.915 4.740 -0.000 0.000 0.301 878 N C -0.658 174.917 175.510 0.108 0.000 1.325 878 N CA 0.268 53.303 53.050 -0.025 0.000 1.143 878 N CB -0.712 37.795 38.487 0.032 0.000 1.450 878 N HN 0.355 nan 8.380 nan 0.000 0.542 879 F N -3.079 116.892 119.950 0.034 0.000 2.713 879 F HA 0.638 5.165 4.527 -0.000 0.000 0.311 879 F C 0.696 176.478 175.800 -0.030 0.000 1.141 879 F CA -0.741 57.269 58.000 0.018 0.000 0.939 879 F CB 0.422 39.455 39.000 0.054 0.000 1.325 879 F HN 0.094 nan 8.300 nan 0.000 0.453 880 G N 1.084 110.017 108.800 0.221 0.000 2.581 880 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.291 880 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.291 880 G C -1.574 173.182 174.900 -0.240 0.000 1.277 880 G CA 0.140 45.203 45.100 -0.062 0.000 0.959 880 G HN 0.837 nan 8.290 nan 0.000 0.554 881 P HA -0.100 nan 4.420 nan 0.000 0.222 881 P C 1.284 178.311 177.300 -0.454 0.000 1.147 881 P CA 2.183 65.012 63.100 -0.452 0.000 0.790 881 P CB -0.139 31.238 31.700 -0.538 0.000 0.780 882 Y N -0.059 120.047 120.300 -0.324 0.000 2.242 882 Y HA -0.089 4.461 4.550 -0.000 0.000 0.291 882 Y C 2.600 178.351 175.900 -0.247 0.000 1.137 882 Y CA 0.552 58.458 58.100 -0.323 0.000 1.181 882 Y CB -1.556 36.600 38.460 -0.506 0.000 0.989 882 Y HN -0.123 nan 8.280 nan 0.000 0.527 883 L N 0.642 121.809 121.223 -0.093 0.000 2.083 883 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 883 L C 1.961 178.792 176.870 -0.065 0.000 1.083 883 L CA 1.747 56.548 54.840 -0.065 0.000 0.752 883 L CB -0.654 41.385 42.059 -0.034 0.000 0.899 883 L HN 0.199 nan 8.230 nan 0.000 0.433 884 E N -0.941 119.204 120.200 -0.091 0.000 2.085 884 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 884 E C 2.165 178.720 176.600 -0.074 0.000 0.994 884 E CA 1.457 57.806 56.400 -0.084 0.000 0.801 884 E CB -0.165 29.470 29.700 -0.107 0.000 0.743 884 E HN 0.648 nan 8.360 nan 0.000 0.453 885 Q N 0.308 120.058 119.800 -0.083 0.000 2.079 885 Q HA -0.130 4.210 4.340 -0.000 0.000 0.200 885 Q C 2.241 178.215 176.000 -0.044 0.000 0.974 885 Q CA 1.000 56.766 55.803 -0.062 0.000 0.840 885 Q CB -0.024 28.679 28.738 -0.058 0.000 0.898 885 Q HN 0.207 nan 8.270 nan 0.000 0.430 886 R N 0.607 121.082 120.500 -0.042 0.000 2.081 886 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 886 R C 2.231 178.513 176.300 -0.029 0.000 1.131 886 R CA 1.264 57.344 56.100 -0.033 0.000 0.960 886 R CB -0.112 30.166 30.300 -0.036 0.000 0.856 886 R HN 0.141 nan 8.270 nan 0.000 0.436 887 K N 0.679 121.059 120.400 -0.033 0.000 2.097 887 K HA -0.171 4.149 4.320 -0.000 0.000 0.206 887 K C 2.121 178.704 176.600 -0.029 0.000 1.049 887 K CA 1.192 57.461 56.287 -0.030 0.000 0.933 887 K CB -0.073 32.407 32.500 -0.033 0.000 0.717 887 K HN 0.084 nan 8.250 nan 0.000 0.442 888 K N 1.378 121.758 120.400 -0.033 0.000 2.057 888 K HA -0.115 4.205 4.320 -0.000 0.000 0.207 888 K C 2.027 178.613 176.600 -0.023 0.000 1.049 888 K CA 1.165 57.433 56.287 -0.030 0.000 0.931 888 K CB -0.034 32.444 32.500 -0.037 0.000 0.714 888 K HN 0.046 nan 8.250 nan 0.000 0.440 889 I N 1.035 121.592 120.570 -0.022 0.000 2.226 889 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 889 I C 2.246 178.358 176.117 -0.009 0.000 1.100 889 I CA 1.179 62.470 61.300 -0.015 0.000 1.374 889 I CB -0.192 37.799 38.000 -0.015 0.000 1.057 889 I HN 0.203 nan 8.210 nan 0.000 0.413 890 I N 0.726 121.290 120.570 -0.010 0.000 2.226 890 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 890 I C 2.824 178.939 176.117 -0.003 0.000 1.100 890 I CA 1.287 62.585 61.300 -0.003 0.000 1.374 890 I CB -0.510 37.487 38.000 -0.005 0.000 1.057 890 I HN 0.180 nan 8.210 nan 0.000 0.413 891 A N 0.660 123.473 122.820 -0.012 0.000 1.908 891 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 891 A C 2.200 179.782 177.584 -0.004 0.000 1.181 891 A CA 1.826 53.855 52.037 -0.013 0.000 0.627 891 A CB -0.627 18.360 19.000 -0.021 0.000 0.818 891 A HN 0.459 nan 8.150 nan 0.000 0.445 892 E N -0.892 119.306 120.200 -0.004 0.000 2.110 892 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 892 E C 2.032 178.637 176.600 0.010 0.000 0.988 892 E CA 1.233 57.634 56.400 0.002 0.000 0.804 892 E CB -0.091 29.608 29.700 -0.002 0.000 0.745 892 E HN 0.720 nan 8.360 nan 0.000 0.458 893 E N 1.389 121.596 120.200 0.011 0.000 2.072 893 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 893 E C 1.703 178.321 176.600 0.030 0.000 0.985 893 E CA 1.255 57.667 56.400 0.020 0.000 0.801 893 E CB 0.127 29.839 29.700 0.020 0.000 0.750 893 E HN -0.053 nan 8.360 nan 0.000 0.452 894 K N -0.147 120.272 120.400 0.030 0.000 2.097 894 K HA -0.075 4.245 4.320 -0.000 0.000 0.206 894 K C 1.960 178.590 176.600 0.049 0.000 1.049 894 K CA 1.123 57.437 56.287 0.046 0.000 0.933 894 K CB -0.308 32.212 32.500 0.033 0.000 0.717 894 K HN 0.305 nan 8.250 nan 0.000 0.442 895 M N 0.157 119.777 119.600 0.033 0.000 2.229 895 M HA -0.071 4.409 4.480 -0.000 0.000 0.264 895 M C 2.117 178.439 176.300 0.036 0.000 1.063 895 M CA 1.237 56.557 55.300 0.033 0.000 1.114 895 M CB -0.769 31.844 32.600 0.021 0.000 1.387 895 M HN 0.097 nan 8.290 nan 0.000 0.420 896 R N 0.331 120.850 120.500 0.031 0.000 2.090 896 R HA -0.025 4.315 4.340 -0.000 0.000 0.228 896 R C 2.090 178.413 176.300 0.038 0.000 1.110 896 R CA 0.864 56.982 56.100 0.030 0.000 0.973 896 R CB -0.085 30.229 30.300 0.024 0.000 0.869 896 R HN 0.310 nan 8.270 nan 0.000 0.440 897 L N 0.594 121.845 121.223 0.047 0.000 2.201 897 L HA -0.089 4.251 4.340 -0.000 0.000 0.212 897 L C 2.216 179.124 176.870 0.064 0.000 1.105 897 L CA 0.957 55.831 54.840 0.057 0.000 0.775 897 L CB -0.305 41.795 42.059 0.068 0.000 0.913 897 L HN 0.152 nan 8.230 nan 0.000 0.440 898 K N 1.080 121.520 120.400 0.067 0.000 2.640 898 K HA -0.115 4.205 4.320 -0.000 0.000 0.193 898 K C 0.114 176.748 176.600 0.057 0.000 1.036 898 K CA 0.777 57.107 56.287 0.072 0.000 0.962 898 K CB 0.118 32.661 32.500 0.071 0.000 0.791 898 K HN 0.391 nan 8.250 nan 0.000 0.491 899 E N 0.455 120.684 120.200 0.048 0.000 4.017 899 E HA 0.064 4.414 4.350 -0.000 0.000 0.205 899 E C -0.957 175.665 176.600 0.036 0.000 1.054 899 E CA -0.167 56.255 56.400 0.038 0.000 1.398 899 E CB 1.000 30.718 29.700 0.030 0.000 1.164 899 E HN 0.223 nan 8.360 nan 0.000 0.445 900 Q N 0.885 120.712 119.800 0.045 0.000 2.552 900 Q HA 0.372 4.712 4.340 -0.000 0.000 0.289 900 Q C -1.206 174.826 176.000 0.053 0.000 1.097 900 Q CA -0.813 55.017 55.803 0.044 0.000 0.812 900 Q CB 1.685 30.453 28.738 0.050 0.000 1.460 900 Q HN 0.029 nan 8.270 nan 0.000 0.452 901 N N 0.759 119.489 118.700 0.050 0.000 2.762 901 N HA 0.351 5.091 4.740 -0.000 0.000 0.252 901 N C -1.554 174.005 175.510 0.080 0.000 1.269 901 N CA -0.057 53.031 53.050 0.064 0.000 0.799 901 N CB 1.098 39.600 38.487 0.025 0.000 1.173 901 N HN 0.680 nan 8.380 nan 0.000 0.516 902 A N 1.507 124.398 122.820 0.118 0.000 2.520 902 A HA 0.544 4.864 4.320 -0.000 0.000 0.235 902 A C 0.826 178.524 177.584 0.189 0.000 1.065 902 A CA -0.003 52.111 52.037 0.127 0.000 0.764 902 A CB -0.026 19.045 19.000 0.118 0.000 1.002 902 A HN 0.705 nan 8.150 nan 0.000 0.502 903 A N 1.393 124.301 122.820 0.147 0.000 2.429 903 A HA 0.524 4.844 4.320 -0.000 0.000 0.242 903 A C -0.400 177.425 177.584 0.402 0.000 1.088 903 A CA 0.017 52.150 52.037 0.160 0.000 0.784 903 A CB -0.134 18.920 19.000 0.090 0.000 1.038 903 A HN 0.642 nan 8.150 nan 0.000 0.501 904 F N 0.802 120.772 119.950 0.034 0.000 2.391 904 F HA 0.419 4.946 4.527 -0.000 0.000 0.359 904 F C -1.789 174.039 175.800 0.046 0.000 1.122 904 F CA -2.730 55.294 58.000 0.040 0.000 1.120 904 F CB 0.289 39.312 39.000 0.039 0.000 1.142 904 F HN 0.290 nan 8.300 nan 0.000 0.483 905 P HA 0.148 nan 4.420 nan 0.000 0.267 905 P C -2.371 175.011 177.300 0.137 0.000 1.200 905 P CA -0.677 62.507 63.100 0.139 0.000 0.772 905 P CB -0.075 31.690 31.700 0.108 0.000 0.855 906 P HA -0.037 nan 4.420 nan 0.000 0.266 906 P C 0.820 178.169 177.300 0.083 0.000 1.180 906 P CA 0.323 63.475 63.100 0.087 0.000 0.765 906 P CB 0.374 32.109 31.700 0.057 0.000 0.806 907 L N 0.569 121.841 121.223 0.082 0.000 2.093 907 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 907 L C 0.852 177.751 176.870 0.049 0.000 1.085 907 L CA 1.527 56.411 54.840 0.073 0.000 0.755 907 L CB -0.256 41.845 42.059 0.070 0.000 0.904 907 L HN 0.477 nan 8.230 nan 0.000 0.435 908 E N -0.230 119.992 120.200 0.037 0.000 2.248 908 E HA 0.335 4.685 4.350 -0.000 0.000 0.267 908 E C -0.897 175.709 176.600 0.010 0.000 0.877 908 E CA -0.760 55.651 56.400 0.018 0.000 0.759 908 E CB 1.665 31.373 29.700 0.014 0.000 1.182 908 E HN 0.145 nan 8.360 nan 0.000 0.418 909 R N 1.320 121.816 120.500 -0.007 0.000 2.349 909 R HA 0.367 4.707 4.340 -0.000 0.000 0.299 909 R C -0.310 175.964 176.300 -0.043 0.000 1.027 909 R CA -0.824 55.259 56.100 -0.028 0.000 0.958 909 R CB 1.233 31.509 30.300 -0.041 0.000 1.047 909 R HN 0.259 nan 8.270 nan 0.000 0.468 910 K N 4.224 124.594 120.400 -0.049 0.000 2.300 910 K HA 0.276 4.596 4.320 -0.000 0.000 0.264 910 K C -2.250 174.294 176.600 -0.094 0.000 1.083 910 K CA -2.064 54.201 56.287 -0.037 0.000 0.958 910 K CB 0.887 33.395 32.500 0.013 0.000 1.318 910 K HN 0.423 nan 8.250 nan 0.000 0.448 911 P HA -0.091 nan 4.420 nan 0.000 0.266 911 P C -0.700 176.584 177.300 -0.027 0.000 1.193 911 P CA 0.105 63.106 63.100 -0.164 0.000 0.770 911 P CB 0.270 31.925 31.700 -0.075 0.000 0.836 912 F N 1.668 121.598 119.950 -0.033 0.000 2.418 912 F HA 0.292 4.819 4.527 -0.000 0.000 0.341 912 F C 0.987 176.768 175.800 -0.032 0.000 1.120 912 F CA -0.274 57.697 58.000 -0.049 0.000 1.232 912 F CB -0.214 38.734 39.000 -0.087 0.000 1.175 912 F HN 0.069 nan 8.300 nan 0.000 0.569 913 I N 3.885 124.545 120.570 0.150 0.000 2.465 913 I HA 0.298 4.468 4.170 -0.000 0.000 0.291 913 I C -2.332 173.764 176.117 -0.036 0.000 1.014 913 I CA -2.260 59.072 61.300 0.054 0.000 1.093 913 I CB 2.043 40.066 38.000 0.037 0.000 1.267 913 I HN 0.304 nan 8.210 nan 0.000 0.431 914 P HA 0.011 nan 4.420 nan 0.000 0.262 914 P C -0.269 176.963 177.300 -0.112 0.000 1.182 914 P CA 0.176 63.170 63.100 -0.176 0.000 0.761 914 P CB 0.428 32.008 31.700 -0.200 0.000 0.795 915 K N 2.692 123.018 120.400 -0.123 0.000 2.372 915 K HA 0.099 4.419 4.320 -0.000 0.000 0.200 915 K C 0.601 177.153 176.600 -0.080 0.000 1.022 915 K CA 0.071 56.303 56.287 -0.091 0.000 1.125 915 K CB 0.224 32.665 32.500 -0.097 0.000 0.855 915 K HN 0.468 nan 8.250 nan 0.000 0.524 916 K N -0.132 120.215 120.400 -0.089 0.000 2.607 916 K HA 0.338 4.658 4.320 -0.000 0.000 0.287 916 K C -3.445 173.111 176.600 -0.073 0.000 0.996 916 K CA -1.755 54.489 56.287 -0.071 0.000 0.876 916 K CB 0.560 33.019 32.500 -0.068 0.000 1.496 916 K HN -0.315 nan 8.250 nan 0.000 0.415 917 P HA 0.178 nan 4.420 nan 0.000 0.266 917 P C -0.364 176.905 177.300 -0.050 0.000 1.195 917 P CA -0.115 62.959 63.100 -0.042 0.000 0.768 917 P CB 0.316 32.000 31.700 -0.026 0.000 0.838 918 I N 4.751 125.295 120.570 -0.043 0.000 2.452 918 I HA 0.115 4.285 4.170 -0.000 0.000 0.287 918 I C -1.731 174.380 176.117 -0.010 0.000 1.079 918 I CA -1.857 59.420 61.300 -0.038 0.000 1.387 918 I CB 0.268 38.265 38.000 -0.004 0.000 1.404 918 I HN 0.224 nan 8.210 nan 0.000 0.522 919 P HA 0.089 nan 4.420 nan 0.000 0.266 919 P C -0.539 176.769 177.300 0.013 0.000 1.195 919 P CA -0.104 62.999 63.100 0.006 0.000 0.768 919 P CB 0.641 32.350 31.700 0.015 0.000 0.838 920 A N 2.862 125.689 122.820 0.010 0.000 2.252 920 A HA 0.330 4.649 4.320 -0.000 0.000 0.305 920 A C 1.474 179.059 177.584 0.001 0.000 1.097 920 A CA -0.529 51.514 52.037 0.011 0.000 0.849 920 A CB 0.093 19.099 19.000 0.010 0.000 1.142 920 A HN 0.462 nan 8.150 nan 0.000 0.499 921 I N 0.503 121.069 120.570 -0.008 0.000 2.208 921 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 921 I C 2.455 178.554 176.117 -0.029 0.000 1.097 921 I CA 2.313 63.593 61.300 -0.033 0.000 1.363 921 I CB -1.213 36.754 38.000 -0.055 0.000 1.051 921 I HN 0.950 nan 8.210 nan 0.000 0.413 922 K N 0.561 120.950 120.400 -0.018 0.000 2.211 922 K HA -0.192 4.128 4.320 -0.000 0.000 0.204 922 K C 1.130 177.729 176.600 -0.002 0.000 1.047 922 K CA 1.674 57.953 56.287 -0.013 0.000 0.935 922 K CB -0.341 32.156 32.500 -0.006 0.000 0.728 922 K HN 0.298 nan 8.250 nan 0.000 0.452 923 D N 1.230 121.633 120.400 0.005 0.000 2.347 923 D HA -0.066 4.574 4.640 -0.000 0.000 0.215 923 D C 1.882 178.205 176.300 0.039 0.000 0.976 923 D CA 1.208 55.217 54.000 0.016 0.000 0.884 923 D CB 0.594 41.402 40.800 0.014 0.000 0.915 923 D HN 0.352 nan 8.370 nan 0.000 0.526 924 V N -1.748 118.192 119.914 0.044 0.000 3.621 924 V HA 0.220 4.340 4.120 -0.000 0.000 0.263 924 V C 1.013 177.190 176.094 0.137 0.000 1.272 924 V CA -0.257 62.111 62.300 0.113 0.000 1.080 924 V CB -0.132 31.717 31.823 0.044 0.000 0.816 924 V HN -0.109 nan 8.190 nan 0.000 0.451 925 I N 3.217 123.815 120.570 0.046 0.000 2.741 925 I HA 0.361 4.531 4.170 -0.000 0.000 0.288 925 I C 1.640 177.789 176.117 0.053 0.000 1.192 925 I CA 1.543 62.864 61.300 0.033 0.000 1.426 925 I CB 0.014 38.006 38.000 -0.014 0.000 1.367 925 I HN 0.533 nan 8.210 nan 0.000 0.563 926 G N 5.098 113.940 108.800 0.069 0.000 2.184 926 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.264 926 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.264 926 G C 1.161 176.080 174.900 0.031 0.000 0.975 926 G CA -0.053 45.074 45.100 0.045 0.000 0.642 926 G HN 0.599 nan 8.290 nan 0.000 0.536 927 K N 0.265 120.704 120.400 0.065 0.000 2.360 927 K HA 0.176 4.496 4.320 -0.000 0.000 0.201 927 K C 2.578 179.138 176.600 -0.065 0.000 1.046 927 K CA 1.418 57.699 56.287 -0.010 0.000 0.945 927 K CB -0.428 32.081 32.500 0.014 0.000 0.750 927 K HN 0.798 nan 8.250 nan 0.000 0.464 928 A N 0.645 123.455 122.820 -0.016 0.000 2.132 928 A HA 0.071 4.391 4.320 -0.000 0.000 0.213 928 A C 2.069 179.688 177.584 0.058 0.000 1.154 928 A CA 0.164 52.249 52.037 0.080 0.000 0.753 928 A CB -0.289 18.746 19.000 0.058 0.000 0.826 928 A HN 0.144 nan 8.150 nan 0.000 0.469 929 L N 0.290 121.503 121.223 -0.015 0.000 2.127 929 L HA -0.301 4.039 4.340 -0.000 0.000 0.211 929 L C 2.862 179.673 176.870 -0.098 0.000 1.089 929 L CA 1.740 56.560 54.840 -0.033 0.000 0.757 929 L CB -0.762 41.279 42.059 -0.029 0.000 0.899 929 L HN 0.717 nan 8.230 nan 0.000 0.434 930 Q N -0.425 119.235 119.800 -0.232 0.000 2.297 930 Q HA -0.225 4.114 4.340 -0.000 0.000 0.208 930 Q C 1.541 177.313 176.000 -0.380 0.000 0.981 930 Q CA 1.760 57.350 55.803 -0.354 0.000 0.876 930 Q CB -0.448 27.974 28.738 -0.527 0.000 0.921 930 Q HN 0.507 nan 8.270 nan 0.000 0.446 931 Y N 0.630 120.899 120.300 -0.052 0.000 2.500 931 Y HA 0.303 4.853 4.550 -0.000 0.000 0.270 931 Y C 0.789 176.661 175.900 -0.046 0.000 1.134 931 Y CA -0.247 57.821 58.100 -0.053 0.000 1.293 931 Y CB 0.456 38.879 38.460 -0.062 0.000 1.063 931 Y HN 0.004 nan 8.280 nan 0.000 0.534 932 L N 0.147 121.412 121.223 0.070 0.000 2.350 932 L HA 0.598 4.938 4.340 -0.000 0.000 0.275 932 L C 0.678 177.556 176.870 0.013 0.000 1.099 932 L CA -0.036 54.827 54.840 0.040 0.000 0.808 932 L CB 1.057 43.132 42.059 0.028 0.000 1.149 932 L HN 0.277 nan 8.230 nan 0.000 0.442 933 G N 0.638 109.447 108.800 0.015 0.000 2.570 933 G HA2 0.387 4.347 3.960 -0.000 0.000 0.310 933 G HA3 0.387 4.347 3.960 -0.000 0.000 0.310 933 G C -0.812 174.102 174.900 0.024 0.000 1.266 933 G CA -0.065 45.041 45.100 0.008 0.000 0.825 933 G HN 0.525 nan 8.290 nan 0.000 0.483 934 T N -1.937 112.633 114.554 0.027 0.000 2.816 934 T HA 0.418 4.768 4.350 -0.000 0.000 0.282 934 T C 1.114 175.861 174.700 0.079 0.000 0.993 934 T CA 0.061 62.199 62.100 0.064 0.000 0.994 934 T CB 1.181 70.086 68.868 0.062 0.000 1.025 934 T HN 0.572 nan 8.240 nan 0.000 0.529 935 F N 1.276 121.227 119.950 0.002 0.000 2.171 935 F HA 0.142 4.669 4.527 -0.000 0.000 0.300 935 F C 2.410 178.212 175.800 0.004 0.000 1.090 935 F CA 1.894 59.896 58.000 0.003 0.000 1.293 935 F CB -0.885 38.118 39.000 0.004 0.000 1.013 935 F HN 0.749 nan 8.300 nan 0.000 0.486 936 G N -0.439 108.439 108.800 0.130 0.000 2.470 936 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.220 936 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.220 936 G C 1.374 176.243 174.900 -0.053 0.000 1.121 936 G CA 0.780 45.909 45.100 0.050 0.000 0.766 936 G HN 0.487 nan 8.290 nan 0.000 0.553 937 E N -0.441 119.718 120.200 -0.069 0.000 2.481 937 E HA 0.154 4.504 4.350 -0.000 0.000 0.195 937 E C 0.311 176.837 176.600 -0.123 0.000 1.047 937 E CA -0.305 56.051 56.400 -0.073 0.000 0.867 937 E CB 0.124 29.798 29.700 -0.043 0.000 0.858 937 E HN 0.360 nan 8.360 nan 0.000 0.513 938 L N 1.294 122.377 121.223 -0.232 0.000 2.305 938 L HA 0.167 4.507 4.340 -0.000 0.000 0.281 938 L C 0.500 177.227 176.870 -0.238 0.000 1.085 938 L CA -0.566 54.108 54.840 -0.277 0.000 0.813 938 L CB 1.342 43.110 42.059 -0.485 0.000 1.157 938 L HN -0.082 nan 8.230 nan 0.000 0.436 939 S N 1.850 117.457 115.700 -0.155 0.000 2.510 939 S HA 0.068 4.538 4.470 -0.000 0.000 0.279 939 S C 0.770 175.305 174.600 -0.108 0.000 1.284 939 S CA -0.687 57.449 58.200 -0.106 0.000 1.059 939 S CB 0.288 63.446 63.200 -0.070 0.000 0.901 939 S HN 0.746 nan 8.310 nan 0.000 0.491 940 N N 4.618 123.278 118.700 -0.066 0.000 2.230 940 N HA 0.098 4.838 4.740 -0.000 0.000 0.202 940 N C 0.914 176.435 175.510 0.018 0.000 1.119 940 N CA 0.168 53.205 53.050 -0.022 0.000 0.851 940 N CB -0.340 38.166 38.487 0.032 0.000 0.990 940 N HN 0.744 nan 8.380 nan 0.000 0.497 941 I N -3.708 116.863 120.570 0.001 0.000 4.035 941 I HA 0.309 4.479 4.170 -0.000 0.000 0.321 941 I C -0.318 175.797 176.117 -0.003 0.000 1.289 941 I CA -0.138 61.176 61.300 0.024 0.000 1.236 941 I CB 0.017 38.032 38.000 0.024 0.000 1.076 941 I HN -0.123 nan 8.210 nan 0.000 0.418 942 E N 4.111 124.291 120.200 -0.033 0.000 1.932 942 E HA 0.234 4.584 4.350 -0.000 0.000 0.259 942 E C -0.392 176.160 176.600 -0.080 0.000 1.099 942 E CA -0.262 56.110 56.400 -0.046 0.000 0.970 942 E CB 0.444 30.117 29.700 -0.045 0.000 1.143 942 E HN 0.388 nan 8.360 nan 0.000 0.441 943 Q N 0.927 120.665 119.800 -0.104 0.000 2.212 943 Q HA 0.477 4.817 4.340 -0.000 0.000 0.238 943 Q C 0.236 176.143 176.000 -0.154 0.000 0.955 943 Q CA -0.610 55.079 55.803 -0.191 0.000 0.906 943 Q CB 2.156 30.672 28.738 -0.371 0.000 1.215 943 Q HN 0.336 nan 8.270 nan 0.000 0.478 944 V N -2.385 117.423 119.914 -0.175 0.000 3.126 944 V HA 0.900 5.020 4.120 -0.000 0.000 0.314 944 V C -0.278 175.739 176.094 -0.128 0.000 1.138 944 V CA -0.942 61.286 62.300 -0.120 0.000 1.034 944 V CB 1.785 33.554 31.823 -0.089 0.000 1.075 944 V HN 0.606 nan 8.190 nan 0.000 0.442 945 V N -1.816 118.050 119.914 -0.079 0.000 3.078 945 V HA 1.021 5.141 4.120 -0.000 0.000 0.311 945 V C 0.159 176.233 176.094 -0.033 0.000 1.138 945 V CA -0.512 61.752 62.300 -0.060 0.000 1.007 945 V CB 1.222 33.022 31.823 -0.039 0.000 1.045 945 V HN 1.935 nan 8.190 nan 0.000 0.432 946 A N 1.790 124.600 122.820 -0.017 0.000 2.354 946 A HA 0.814 5.134 4.320 -0.000 0.000 0.269 946 A C -0.359 177.230 177.584 0.007 0.000 1.109 946 A CA -0.477 51.559 52.037 -0.002 0.000 0.800 946 A CB 0.892 19.898 19.000 0.010 0.000 1.045 946 A HN 1.489 nan 8.150 nan 0.000 0.489 947 V N 3.656 123.575 119.914 0.008 0.000 2.577 947 V HA 0.351 4.471 4.120 -0.000 0.000 0.303 947 V C -0.450 175.654 176.094 0.016 0.000 1.042 947 V CA -0.176 62.132 62.300 0.013 0.000 0.872 947 V CB 1.571 33.398 31.823 0.007 0.000 0.998 947 V HN 0.766 nan 8.190 nan 0.000 0.423 948 I N 3.276 123.858 120.570 0.022 0.000 2.359 948 I HA 0.369 4.539 4.170 -0.000 0.000 0.294 948 I C -0.298 175.828 176.117 0.016 0.000 0.987 948 I CA -0.381 60.933 61.300 0.023 0.000 1.225 948 I CB 1.630 39.652 38.000 0.036 0.000 1.366 948 I HN 0.542 nan 8.210 nan 0.000 0.466 949 D N 5.533 125.940 120.400 0.011 0.000 2.422 949 D HA 0.038 4.678 4.640 -0.000 0.000 0.227 949 D C 0.957 177.255 176.300 -0.004 0.000 1.190 949 D CA 0.037 54.039 54.000 0.003 0.000 0.905 949 D CB 0.914 41.715 40.800 0.003 0.000 1.034 949 D HN 0.531 nan 8.370 nan 0.000 0.507 950 E N 2.241 122.438 120.200 -0.005 0.000 2.187 950 E HA -0.217 4.133 4.350 -0.000 0.000 0.199 950 E C 1.122 177.705 176.600 -0.028 0.000 1.004 950 E CA 1.252 57.644 56.400 -0.014 0.000 0.813 950 E CB 0.358 30.044 29.700 -0.025 0.000 0.736 950 E HN 0.437 nan 8.360 nan 0.000 0.468 951 E N -0.672 119.510 120.200 -0.031 0.000 2.268 951 E HA -0.121 4.229 4.350 -0.000 0.000 0.195 951 E C 1.662 178.221 176.600 -0.067 0.000 0.995 951 E CA 0.875 57.250 56.400 -0.041 0.000 0.836 951 E CB 0.012 29.695 29.700 -0.028 0.000 0.763 951 E HN 0.492 nan 8.360 nan 0.000 0.491 952 M N -0.590 118.966 119.600 -0.073 0.000 2.492 952 M HA 0.061 4.541 4.480 -0.000 0.000 0.255 952 M C 1.088 177.328 176.300 -0.100 0.000 1.139 952 M CA -0.191 55.026 55.300 -0.139 0.000 1.096 952 M CB 0.653 33.183 32.600 -0.117 0.000 1.360 952 M HN -0.077 nan 8.290 nan 0.000 0.480 953 C N 2.855 122.133 119.300 -0.036 0.000 2.642 953 C HA 0.143 4.603 4.460 -0.000 0.000 0.420 953 C C 1.600 176.609 174.990 0.031 0.000 1.349 953 C CA -0.398 58.626 59.018 0.010 0.000 1.821 953 C CB -0.482 27.283 27.740 0.042 0.000 2.637 953 C HN 0.633 nan 8.230 nan 0.000 0.605 954 I N 1.556 122.157 120.570 0.052 0.000 3.889 954 I HA 0.361 4.531 4.170 -0.000 0.000 0.332 954 I C 0.458 176.657 176.117 0.136 0.000 1.493 954 I CA -0.305 61.043 61.300 0.080 0.000 1.158 954 I CB -0.957 37.070 38.000 0.045 0.000 1.117 954 I HN 0.830 nan 8.210 nan 0.000 0.411 955 N N 0.234 119.043 118.700 0.182 0.000 2.708 955 N HA -0.255 4.485 4.740 -0.000 0.000 0.249 955 N C 1.138 176.795 175.510 0.245 0.000 1.097 955 N CA 1.112 54.333 53.050 0.286 0.000 0.710 955 N CB -2.261 36.457 38.487 0.384 0.000 1.032 955 N HN 0.874 nan 8.380 nan 0.000 0.551 956 C N -2.907 116.461 119.300 0.113 0.000 2.468 956 C HA 0.507 4.967 4.460 -0.000 0.000 0.277 956 C C 2.178 177.085 174.990 -0.139 0.000 1.400 956 C CA 0.387 59.407 59.018 0.004 0.000 1.770 956 C CB -0.919 26.810 27.740 -0.018 0.000 1.905 956 C HN 1.006 nan 8.230 nan 0.000 0.519 957 G N 0.942 109.591 108.800 -0.252 0.000 2.148 957 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.254 957 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.254 957 G C 0.843 175.536 174.900 -0.345 0.000 0.981 957 G CA 0.748 45.396 45.100 -0.754 0.000 0.670 957 G HN 0.651 nan 8.290 nan 0.000 0.528 958 K N -0.372 119.923 120.400 -0.176 0.000 2.097 958 K HA -0.081 4.239 4.320 -0.000 0.000 0.205 958 K C 2.962 179.511 176.600 -0.085 0.000 1.050 958 K CA 1.750 57.969 56.287 -0.113 0.000 0.938 958 K CB -0.467 31.990 32.500 -0.071 0.000 0.718 958 K HN 0.842 nan 8.250 nan 0.000 0.442 959 C N -0.266 118.999 119.300 -0.059 0.000 2.429 959 C HA -0.130 4.330 4.460 -0.000 0.000 0.277 959 C C 2.537 177.528 174.990 0.001 0.000 1.262 959 C CA 0.270 59.279 59.018 -0.015 0.000 1.733 959 C CB -1.341 26.409 27.740 0.017 0.000 2.010 959 C HN 0.440 nan 8.230 nan 0.000 0.483 960 Y N 2.215 122.398 120.300 -0.195 0.000 2.145 960 Y HA -0.119 4.431 4.550 -0.000 0.000 0.286 960 Y C 2.581 178.383 175.900 -0.163 0.000 1.145 960 Y CA 2.071 60.051 58.100 -0.199 0.000 1.148 960 Y CB -0.630 37.577 38.460 -0.422 0.000 0.981 960 Y HN 0.252 nan 8.280 nan 0.000 0.507 961 M N -0.985 118.465 119.600 -0.250 0.000 2.175 961 M HA -0.201 4.279 4.480 -0.000 0.000 0.264 961 M C 1.931 178.106 176.300 -0.207 0.000 1.063 961 M CA 2.084 57.207 55.300 -0.294 0.000 1.119 961 M CB -0.518 31.968 32.600 -0.189 0.000 1.377 961 M HN 0.197 nan 8.290 nan 0.000 0.415 962 T N -0.354 114.119 114.554 -0.135 0.000 2.777 962 T HA -0.157 4.193 4.350 -0.000 0.000 0.266 962 T C 1.882 176.529 174.700 -0.089 0.000 1.040 962 T CA 1.260 63.304 62.100 -0.094 0.000 1.141 962 T CB -0.477 68.358 68.868 -0.055 0.000 0.868 962 T HN 0.520 nan 8.240 nan 0.000 0.444 963 C N 2.026 121.280 119.300 -0.077 0.000 2.435 963 C HA -0.026 4.434 4.460 -0.000 0.000 0.279 963 C C 2.564 177.490 174.990 -0.107 0.000 1.321 963 C CA 0.530 59.524 59.018 -0.041 0.000 1.752 963 C CB -1.443 26.310 27.740 0.022 0.000 1.959 963 C HN 0.447 nan 8.230 nan 0.000 0.500 964 N N 1.270 119.848 118.700 -0.204 0.000 2.135 964 N HA -0.051 4.688 4.740 -0.000 0.000 0.186 964 N C 0.948 176.348 175.510 -0.183 0.000 1.027 964 N CA 1.578 54.485 53.050 -0.239 0.000 0.849 964 N CB -0.454 37.784 38.487 -0.415 0.000 1.002 964 N HN 0.554 nan 8.380 nan 0.000 0.425 965 D N -1.273 119.024 120.400 -0.172 0.000 2.369 965 D HA 0.206 4.846 4.640 -0.000 0.000 0.211 965 D C 0.191 176.416 176.300 -0.124 0.000 1.077 965 D CA 0.287 54.205 54.000 -0.137 0.000 0.842 965 D CB 0.438 41.164 40.800 -0.123 0.000 0.947 965 D HN -0.006 nan 8.370 nan 0.000 0.509 966 S N -0.993 114.630 115.700 -0.128 0.000 2.911 966 S HA 0.412 4.882 4.470 -0.000 0.000 0.261 966 S C 0.704 175.220 174.600 -0.141 0.000 1.021 966 S CA -0.211 57.920 58.200 -0.115 0.000 1.222 966 S CB 1.846 64.999 63.200 -0.077 0.000 1.171 966 S HN 0.306 nan 8.310 nan 0.000 0.669 967 G N 0.408 109.096 108.800 -0.186 0.000 3.366 967 G HA2 0.486 4.446 3.960 -0.000 0.000 0.179 967 G HA3 0.486 4.446 3.960 -0.000 0.000 0.179 967 G C -0.892 173.684 174.900 -0.540 0.000 1.143 967 G CA -0.288 44.672 45.100 -0.233 0.000 0.810 967 G HN 0.256 nan 8.290 nan 0.000 0.697 968 Y N 0.431 120.728 120.300 -0.005 0.000 2.706 968 Y HA 0.339 4.889 4.550 -0.000 0.000 0.255 968 Y C 0.530 176.436 175.900 0.009 0.000 1.163 968 Y CA -0.591 57.515 58.100 0.009 0.000 1.174 968 Y CB 0.645 39.124 38.460 0.032 0.000 1.200 968 Y HN 0.296 nan 8.280 nan 0.000 0.544 969 Q N -0.036 119.799 119.800 0.058 0.000 2.435 969 Q HA -0.243 4.097 4.340 -0.000 0.000 0.312 969 Q C 0.957 177.020 176.000 0.106 0.000 1.333 969 Q CA 0.891 56.719 55.803 0.042 0.000 0.883 969 Q CB -1.657 27.091 28.738 0.018 0.000 1.170 969 Q HN 0.580 nan 8.270 nan 0.000 0.443 970 A N -0.765 122.134 122.820 0.133 0.000 2.348 970 A HA 0.394 4.714 4.320 -0.000 0.000 0.224 970 A C 0.465 178.131 177.584 0.135 0.000 1.227 970 A CA -0.084 52.032 52.037 0.131 0.000 0.885 970 A CB 0.562 19.639 19.000 0.128 0.000 0.933 970 A HN 0.413 nan 8.150 nan 0.000 0.506 971 I N 0.759 121.434 120.570 0.175 0.000 2.377 971 I HA 0.213 4.383 4.170 -0.000 0.000 0.293 971 I C -0.450 175.840 176.117 0.289 0.000 0.987 971 I CA -0.436 60.994 61.300 0.216 0.000 1.185 971 I CB 1.783 39.928 38.000 0.241 0.000 1.341 971 I HN 0.232 nan 8.210 nan 0.000 0.455 972 Q N 5.017 124.932 119.800 0.191 0.000 2.257 972 Q HA 0.393 4.733 4.340 -0.000 0.000 0.255 972 Q C -1.269 174.788 176.000 0.095 0.000 0.920 972 Q CA -0.498 55.393 55.803 0.147 0.000 0.927 972 Q CB 2.335 31.129 28.738 0.094 0.000 1.229 972 Q HN 0.414 nan 8.270 nan 0.000 0.433 973 F N 2.547 122.307 119.950 -0.316 0.000 2.382 973 F HA 0.201 4.728 4.527 -0.000 0.000 0.361 973 F C -0.401 175.280 175.800 -0.198 0.000 1.109 973 F CA -1.569 56.167 58.000 -0.440 0.000 1.031 973 F CB 0.899 39.188 39.000 -1.184 0.000 1.234 973 F HN 0.492 nan 8.300 nan 0.000 0.445 974 D N 8.087 128.303 120.400 -0.307 0.000 2.450 974 D HA 0.093 4.733 4.640 -0.000 0.000 0.247 974 D C -1.459 174.720 176.300 -0.202 0.000 1.162 974 D CA -0.964 52.912 54.000 -0.205 0.000 0.879 974 D CB 1.234 41.942 40.800 -0.154 0.000 1.163 974 D HN 0.296 nan 8.370 nan 0.000 0.472 975 P HA -0.117 nan 4.420 nan 0.000 0.226 975 P C 0.355 177.741 177.300 0.144 0.000 1.153 975 P CA 0.900 64.048 63.100 0.079 0.000 0.777 975 P CB 0.497 32.246 31.700 0.082 0.000 0.794 976 E N -0.512 119.736 120.200 0.080 0.000 2.206 976 E HA -0.001 4.349 4.350 -0.000 0.000 0.195 976 E C 1.953 178.680 176.600 0.213 0.000 0.935 976 E CA 1.569 58.061 56.400 0.154 0.000 0.875 976 E CB -0.860 28.914 29.700 0.123 0.000 0.841 976 E HN 0.350 nan 8.360 nan 0.000 0.477 977 T N -2.523 112.017 114.554 -0.024 0.000 3.044 977 T HA 0.023 4.373 4.350 -0.000 0.000 0.250 977 T C 0.264 175.025 174.700 0.102 0.000 1.081 977 T CA 0.100 62.075 62.100 -0.208 0.000 1.040 977 T CB -0.081 68.509 68.868 -0.463 0.000 0.962 977 T HN 0.015 nan 8.240 nan 0.000 0.506 978 H N 0.392 119.366 119.070 -0.159 0.000 2.791 978 H HA -0.084 4.472 4.556 -0.000 0.000 0.302 978 H C -0.564 174.536 175.328 -0.380 0.000 1.198 978 H CA -0.000 55.696 56.048 -0.587 0.000 1.145 978 H CB -2.377 27.350 29.762 -0.058 0.000 1.385 978 H HN 0.500 nan 8.280 nan 0.000 0.409 979 L N 1.604 122.707 121.223 -0.200 0.000 2.307 979 L HA 0.435 4.775 4.340 -0.000 0.000 0.284 979 L C -1.854 175.039 176.870 0.037 0.000 1.023 979 L CA -1.629 53.196 54.840 -0.026 0.000 0.810 979 L CB 2.064 44.080 42.059 -0.071 0.000 1.231 979 L HN -0.046 nan 8.230 nan 0.000 0.423 980 P HA 0.312 nan 4.420 nan 0.000 0.290 980 P C -1.130 176.236 177.300 0.110 0.000 1.275 980 P CA -0.461 62.771 63.100 0.219 0.000 0.841 980 P CB 1.946 33.796 31.700 0.249 0.000 1.042 981 T N 1.255 115.870 114.554 0.101 0.000 2.937 981 T HA 0.250 4.600 4.350 -0.000 0.000 0.297 981 T C -0.187 174.562 174.700 0.082 0.000 0.991 981 T CA -0.399 61.743 62.100 0.070 0.000 0.990 981 T CB 0.975 69.873 68.868 0.049 0.000 0.991 981 T HN 0.073 nan 8.240 nan 0.000 0.440 982 V N 4.667 124.622 119.914 0.068 0.000 2.508 982 V HA 0.390 4.510 4.120 -0.000 0.000 0.281 982 V C 1.234 177.364 176.094 0.059 0.000 1.041 982 V CA -0.343 61.998 62.300 0.068 0.000 1.016 982 V CB 0.864 32.718 31.823 0.051 0.000 0.984 982 V HN 1.089 nan 8.190 nan 0.000 0.478 983 T N 0.287 114.882 114.554 0.068 0.000 2.880 983 T HA 0.243 4.593 4.350 -0.000 0.000 0.279 983 T C 0.796 175.527 174.700 0.051 0.000 0.990 983 T CA -0.406 61.730 62.100 0.059 0.000 0.938 983 T CB 1.021 69.930 68.868 0.068 0.000 1.206 983 T HN 0.518 nan 8.240 nan 0.000 0.573 984 D N 0.041 120.469 120.400 0.047 0.000 2.378 984 D HA -0.040 4.600 4.640 -0.000 0.000 0.222 984 D C 1.981 178.313 176.300 0.052 0.000 0.980 984 D CA 1.322 55.349 54.000 0.044 0.000 0.907 984 D CB -0.391 40.433 40.800 0.039 0.000 0.899 984 D HN 0.766 nan 8.370 nan 0.000 0.527 985 T N -2.556 112.034 114.554 0.059 0.000 3.148 985 T HA -0.005 4.345 4.350 -0.000 0.000 0.253 985 T C 1.315 176.046 174.700 0.052 0.000 1.134 985 T CA -0.368 61.772 62.100 0.067 0.000 1.051 985 T CB -1.056 67.865 68.868 0.088 0.000 0.959 985 T HN 0.175 nan 8.240 nan 0.000 0.525 986 C N 3.946 123.269 119.300 0.037 0.000 2.634 986 C HA 0.371 4.831 4.460 -0.000 0.000 0.417 986 C C 2.107 177.048 174.990 -0.082 0.000 1.334 986 C CA 0.605 59.620 59.018 -0.006 0.000 1.829 986 C CB -0.037 27.705 27.740 0.003 0.000 2.665 986 C HN 0.709 nan 8.230 nan 0.000 0.614 987 T N 1.036 115.458 114.554 -0.221 0.000 3.044 987 T HA 0.330 4.680 4.350 -0.000 0.000 0.260 987 T C 1.250 175.761 174.700 -0.315 0.000 1.019 987 T CA 0.891 62.795 62.100 -0.328 0.000 0.921 987 T CB -0.034 68.449 68.868 -0.641 0.000 1.053 987 T HN 2.207 nan 8.240 nan 0.000 0.533 988 G N 1.260 109.947 108.800 -0.190 0.000 2.160 988 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.251 988 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.251 988 G C 1.334 176.178 174.900 -0.092 0.000 1.008 988 G CA 0.473 45.489 45.100 -0.139 0.000 0.724 988 G HN 1.251 nan 8.290 nan 0.000 0.514 989 C N -1.979 117.288 119.300 -0.054 0.000 2.403 989 C HA 0.195 4.655 4.460 -0.000 0.000 0.279 989 C C 2.305 177.307 174.990 0.020 0.000 1.269 989 C CA 1.658 60.689 59.018 0.022 0.000 1.774 989 C CB -1.152 26.676 27.740 0.146 0.000 1.993 989 C HN 1.665 nan 8.230 nan 0.000 0.496 990 T N -0.371 114.190 114.554 0.012 0.000 5.686 990 T HA -0.211 4.139 4.350 -0.000 0.000 0.270 990 T C 0.586 175.296 174.700 0.015 0.000 2.203 990 T CA 1.006 63.110 62.100 0.006 0.000 3.730 990 T CB -1.905 66.960 68.868 -0.005 0.000 0.770 990 T HN 0.699 nan 8.240 nan 0.000 1.144 991 L N 0.885 122.125 121.223 0.029 0.000 2.046 991 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 991 L C 3.089 179.965 176.870 0.010 0.000 1.077 991 L CA 2.368 57.219 54.840 0.019 0.000 0.747 991 L CB -0.508 41.565 42.059 0.024 0.000 0.896 991 L HN 0.863 nan 8.230 nan 0.000 0.432 992 C N -1.144 118.166 119.300 0.017 0.000 2.413 992 C HA -0.212 4.248 4.460 -0.000 0.000 0.276 992 C C 2.580 177.575 174.990 0.008 0.000 1.236 992 C CA 0.590 59.615 59.018 0.011 0.000 1.735 992 C CB -1.307 26.448 27.740 0.024 0.000 2.031 992 C HN 0.576 nan 8.230 nan 0.000 0.474 993 L N 1.759 122.988 121.223 0.010 0.000 2.079 993 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 993 L C 2.668 179.541 176.870 0.004 0.000 1.081 993 L CA 2.171 57.016 54.840 0.007 0.000 0.752 993 L CB -0.445 41.617 42.059 0.004 0.000 0.896 993 L HN 0.434 nan 8.230 nan 0.000 0.433 994 S N -0.740 114.962 115.700 0.003 0.000 2.419 994 S HA -0.119 4.351 4.470 -0.000 0.000 0.233 994 S C 1.577 176.175 174.600 -0.003 0.000 1.016 994 S CA 1.329 59.530 58.200 0.000 0.000 0.974 994 S CB -0.164 63.036 63.200 0.000 0.000 0.786 994 S HN 0.597 nan 8.310 nan 0.000 0.492 995 V N -1.923 117.987 119.914 -0.006 0.000 3.578 995 V HA 0.351 4.471 4.120 -0.000 0.000 0.290 995 V C 0.840 176.927 176.094 -0.011 0.000 1.376 995 V CA -0.774 61.519 62.300 -0.012 0.000 1.083 995 V CB -0.992 30.818 31.823 -0.022 0.000 0.911 995 V HN 0.453 nan 8.190 nan 0.000 0.433 996 C N 4.586 123.884 119.300 -0.004 0.000 2.648 996 C HA 0.382 4.842 4.460 -0.000 0.000 0.419 996 C C 0.493 175.485 174.990 0.003 0.000 1.352 996 C CA -0.346 58.672 59.018 0.000 0.000 1.816 996 C CB 0.775 28.520 27.740 0.008 0.000 2.598 996 C HN 0.587 nan 8.230 nan 0.000 0.598 997 P HA 0.037 nan 4.420 nan 0.000 0.229 997 P C 0.151 177.462 177.300 0.018 0.000 1.160 997 P CA 1.016 64.120 63.100 0.007 0.000 0.777 997 P CB -0.021 31.681 31.700 0.003 0.000 0.814 998 I N 1.677 122.259 120.570 0.021 0.000 2.312 998 I HA 0.221 4.391 4.170 -0.000 0.000 0.290 998 I C 1.010 177.156 176.117 0.048 0.000 1.008 998 I CA -1.802 59.520 61.300 0.037 0.000 1.226 998 I CB 0.739 38.744 38.000 0.009 0.000 1.371 998 I HN -0.170 nan 8.210 nan 0.000 0.468 999 I N 6.616 127.226 120.570 0.067 0.000 2.741 999 I HA -0.089 4.081 4.170 -0.000 0.000 0.288 999 I C 0.645 176.802 176.117 0.067 0.000 1.192 999 I CA 0.661 61.995 61.300 0.057 0.000 1.426 999 I CB -0.036 37.993 38.000 0.049 0.000 1.367 999 I HN 0.605 nan 8.210 nan 0.000 0.563 1000 D N 2.815 123.241 120.400 0.043 0.000 3.076 1000 D HA -0.228 4.412 4.640 -0.000 0.000 0.218 1000 D C 1.123 177.445 176.300 0.036 0.000 1.156 1000 D CA 1.009 55.032 54.000 0.038 0.000 0.921 1000 D CB -1.373 39.452 40.800 0.042 0.000 1.113 1000 D HN 0.825 nan 8.370 nan 0.000 0.418 1001 C N 0.166 119.484 119.300 0.031 0.000 2.457 1001 C HA 0.104 4.564 4.460 -0.000 0.000 0.278 1001 C C 1.207 176.207 174.990 0.017 0.000 1.309 1001 C CA 0.190 59.218 59.018 0.017 0.000 1.735 1001 C CB -0.447 27.297 27.740 0.007 0.000 1.992 1001 C HN 0.335 nan 8.230 nan 0.000 0.493 1002 I N 1.241 121.821 120.570 0.018 0.000 2.412 1002 I HA 0.467 4.637 4.170 -0.000 0.000 0.296 1002 I C -0.140 175.984 176.117 0.012 0.000 0.987 1002 I CA -0.242 61.068 61.300 0.016 0.000 1.180 1002 I CB 1.132 39.142 38.000 0.016 0.000 1.340 1002 I HN 0.212 nan 8.210 nan 0.000 0.455 1003 R N 5.475 125.980 120.500 0.008 0.000 2.725 1003 R HA 0.587 4.927 4.340 -0.000 0.000 0.277 1003 R C -1.284 175.013 176.300 -0.005 0.000 0.987 1003 R CA -1.071 55.031 56.100 0.002 0.000 0.901 1003 R CB 2.296 32.599 30.300 0.004 0.000 1.207 1003 R HN 0.394 nan 8.270 nan 0.000 0.463 1004 M N 3.084 122.676 119.600 -0.013 0.000 2.144 1004 M HA 0.279 4.759 4.480 -0.000 0.000 0.356 1004 M C -0.143 176.142 176.300 -0.025 0.000 1.217 1004 M CA -0.703 54.583 55.300 -0.023 0.000 1.087 1004 M CB 0.877 33.457 32.600 -0.032 0.000 1.609 1004 M HN 0.471 nan 8.290 nan 0.000 0.467 1005 V N 0.403 120.301 119.914 -0.026 0.000 2.864 1005 V HA 0.662 4.782 4.120 -0.000 0.000 0.314 1005 V C 0.254 176.328 176.094 -0.033 0.000 1.073 1005 V CA -0.953 61.332 62.300 -0.024 0.000 0.956 1005 V CB 1.783 33.597 31.823 -0.014 0.000 1.023 1005 V HN 0.837 nan 8.190 nan 0.000 0.435 1006 S N 2.012 117.694 115.700 -0.030 0.000 2.563 1006 S HA 0.143 4.613 4.470 -0.000 0.000 0.294 1006 S C 0.458 175.040 174.600 -0.030 0.000 1.279 1006 S CA -0.135 58.045 58.200 -0.034 0.000 1.069 1006 S CB -0.286 62.899 63.200 -0.025 0.000 0.828 1006 S HN 0.891 nan 8.310 nan 0.000 0.497 1007 R N 2.322 122.798 120.500 -0.040 0.000 2.489 1007 R HA 0.079 4.419 4.340 -0.000 0.000 0.287 1007 R C 1.431 177.728 176.300 -0.005 0.000 1.053 1007 R CA 0.741 56.825 56.100 -0.026 0.000 1.036 1007 R CB 0.335 30.611 30.300 -0.040 0.000 0.966 1007 R HN 0.883 nan 8.270 nan 0.000 0.432 1008 T N -1.452 113.104 114.554 0.004 0.000 2.990 1008 T HA 0.015 4.365 4.350 -0.000 0.000 0.249 1008 T C 0.800 175.511 174.700 0.018 0.000 1.039 1008 T CA 0.251 62.357 62.100 0.009 0.000 1.036 1008 T CB 0.171 69.043 68.868 0.006 0.000 0.994 1008 T HN 0.620 nan 8.240 nan 0.000 0.489 1009 T N 1.051 115.620 114.554 0.025 0.000 2.922 1009 T HA 0.607 4.957 4.350 -0.000 0.000 0.285 1009 T C -3.038 171.694 174.700 0.054 0.000 1.005 1009 T CA -2.020 60.100 62.100 0.034 0.000 1.061 1009 T CB 0.895 69.784 68.868 0.035 0.000 1.007 1009 T HN -0.093 nan 8.240 nan 0.000 0.502 1010 P HA 0.158 nan 4.420 nan 0.000 0.265 1010 P C -1.539 175.819 177.300 0.097 0.000 1.193 1010 P CA -0.103 63.030 63.100 0.055 0.000 0.765 1010 P CB 0.002 31.714 31.700 0.021 0.000 0.823 1011 Y N 2.581 122.870 120.300 -0.018 0.000 2.331 1011 Y HA 0.390 4.940 4.550 -0.000 0.000 0.334 1011 Y C -0.468 175.420 175.900 -0.020 0.000 0.960 1011 Y CA -0.608 57.477 58.100 -0.025 0.000 1.130 1011 Y CB 1.438 39.878 38.460 -0.033 0.000 1.164 1011 Y HN 0.348 nan 8.280 nan 0.000 0.458 1012 E N 7.488 127.197 120.200 -0.819 0.000 2.246 1012 E HA 0.325 4.675 4.350 -0.000 0.000 0.266 1012 E C -2.695 173.416 176.600 -0.816 0.000 0.880 1012 E CA -2.256 53.756 56.400 -0.648 0.000 0.762 1012 E CB 1.820 31.348 29.700 -0.288 0.000 1.180 1012 E HN 0.511 nan 8.360 nan 0.000 0.416 1013 P HA -0.007 nan 4.420 nan 0.000 0.265 1013 P C -0.875 176.328 177.300 -0.162 0.000 1.193 1013 P CA 0.080 62.988 63.100 -0.320 0.000 0.765 1013 P CB 0.483 32.119 31.700 -0.106 0.000 0.823 1014 K N 3.570 123.932 120.400 -0.063 0.000 2.349 1014 K HA 0.143 4.462 4.320 -0.000 0.000 0.289 1014 K C 1.044 177.656 176.600 0.020 0.000 1.064 1014 K CA -0.329 55.955 56.287 -0.004 0.000 0.947 1014 K CB 0.754 33.296 32.500 0.070 0.000 1.007 1014 K HN 0.235 nan 8.250 nan 0.000 0.478 1015 R N 1.655 122.156 120.500 0.001 0.000 2.312 1015 R HA 0.060 4.400 4.340 -0.000 0.000 0.205 1015 R C 1.391 177.699 176.300 0.013 0.000 0.904 1015 R CA 0.618 56.722 56.100 0.008 0.000 1.052 1015 R CB 0.091 30.389 30.300 -0.005 0.000 1.014 1015 R HN 1.071 nan 8.270 nan 0.000 0.503 1016 G N 1.202 110.012 108.800 0.017 0.000 2.674 1016 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.236 1016 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.236 1016 G C 0.202 175.107 174.900 0.007 0.000 1.178 1016 G CA 0.407 45.516 45.100 0.015 0.000 0.721 1016 G HN 0.324 nan 8.290 nan 0.000 0.515 1017 L N 1.166 122.391 121.223 0.004 0.000 2.491 1017 L HA 0.400 4.740 4.340 -0.000 0.000 0.267 1017 L C -2.190 174.679 176.870 -0.001 0.000 0.971 1017 L CA -1.720 53.121 54.840 0.001 0.000 0.857 1017 L CB 2.173 44.233 42.059 0.001 0.000 1.226 1017 L HN -0.032 nan 8.230 nan 0.000 0.408 1018 P HA -0.194 nan 4.420 nan 0.000 0.244 1018 P C -0.474 176.823 177.300 -0.005 0.000 1.080 1018 P CA 0.191 63.288 63.100 -0.005 0.000 0.794 1018 P CB -0.085 31.612 31.700 -0.004 0.000 0.689 1019 L N 3.389 124.608 121.223 -0.007 0.000 2.638 1019 L HA 0.256 4.596 4.340 -0.000 0.000 0.273 1019 L C 0.686 177.553 176.870 -0.005 0.000 1.147 1019 L CA 0.424 55.261 54.840 -0.006 0.000 0.941 1019 L CB -0.768 41.286 42.059 -0.008 0.000 1.251 1019 L HN 0.448 nan 8.230 nan 0.000 0.479 1020 A N 0.000 122.818 122.820 -0.003 0.000 2.254 1020 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 1020 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 1020 A CB 0.000 18.998 19.000 -0.002 0.000 0.831 1020 A HN 0.000 nan 8.150 nan 0.000 0.486