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_D 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 0.002 0.000 0.836 2 A CB 0.000 19.001 19.000 0.002 0.000 0.831 3 P HA 0.337 nan 4.420 nan 0.000 0.273 3 P C -0.463 176.839 177.300 0.003 0.000 1.252 3 P CA -0.500 62.602 63.100 0.004 0.000 0.809 3 P CB 0.180 31.883 31.700 0.005 0.000 1.017 4 V N 1.666 121.581 119.914 0.003 0.000 2.381 4 V HA -0.017 4.103 4.120 0.001 0.000 0.257 4 V C 1.703 177.797 176.094 0.001 0.000 1.057 4 V CA 0.264 62.565 62.300 0.001 0.000 1.013 4 V CB -0.504 31.320 31.823 0.001 0.000 1.069 4 V HN 0.483 nan 8.190 nan 0.000 0.484 5 L N 3.735 124.958 121.223 0.000 0.000 2.079 5 L HA -0.130 4.211 4.340 0.001 0.000 0.210 5 L C 2.287 179.155 176.870 -0.003 0.000 1.081 5 L CA 1.774 56.614 54.840 0.000 0.000 0.752 5 L CB -0.362 41.697 42.059 0.000 0.000 0.896 5 L HN 0.845 nan 8.230 nan 0.000 0.433 6 S N -1.513 114.184 115.700 -0.006 0.000 2.754 6 S HA 0.115 4.586 4.470 0.001 0.000 0.223 6 S C 0.434 175.028 174.600 -0.010 0.000 0.951 6 S CA -0.189 58.005 58.200 -0.010 0.000 0.954 6 S CB -0.246 62.947 63.200 -0.011 0.000 0.780 6 S HN 0.253 nan 8.310 nan 0.000 0.509 7 K N 1.267 121.664 120.400 -0.005 0.000 2.316 7 K HA 0.351 4.672 4.320 0.001 0.000 0.251 7 K C -1.336 175.264 176.600 -0.000 0.000 0.934 7 K CA -0.758 55.527 56.287 -0.003 0.000 0.802 7 K CB 1.185 33.685 32.500 0.000 0.000 1.171 7 K HN 0.165 nan 8.250 nan 0.000 0.426 8 D N 2.460 122.860 120.400 0.000 0.000 2.351 8 D HA 0.062 4.703 4.640 0.001 0.000 0.251 8 D C 0.437 176.744 176.300 0.012 0.000 1.137 8 D CA -0.122 53.881 54.000 0.006 0.000 0.879 8 D CB 1.296 42.099 40.800 0.005 0.000 1.181 8 D HN 0.244 nan 8.370 nan 0.000 0.448 9 V N 0.058 119.982 119.914 0.016 0.000 3.319 9 V HA 0.319 4.439 4.120 0.001 0.000 0.303 9 V C 1.600 177.708 176.094 0.023 0.000 1.094 9 V CA -0.089 62.222 62.300 0.018 0.000 1.106 9 V CB 0.575 32.410 31.823 0.020 0.000 1.099 9 V HN 0.614 nan 8.190 nan 0.000 0.476 10 A N 0.493 123.327 122.820 0.023 0.000 1.903 10 A HA -0.236 4.085 4.320 0.001 0.000 0.219 10 A C 1.657 179.261 177.584 0.034 0.000 1.191 10 A CA 2.466 54.519 52.037 0.027 0.000 0.638 10 A CB -1.138 17.876 19.000 0.024 0.000 0.823 10 A HN 1.029 nan 8.150 nan 0.000 0.451 11 D N -0.245 120.176 120.400 0.035 0.000 2.144 11 D HA -0.121 4.520 4.640 0.001 0.000 0.199 11 D C 1.761 178.092 176.300 0.052 0.000 0.984 11 D CA 1.029 55.054 54.000 0.043 0.000 0.834 11 D CB -0.226 40.598 40.800 0.040 0.000 0.955 11 D HN 0.398 nan 8.370 nan 0.000 0.465 12 I N 0.591 121.189 120.570 0.046 0.000 2.406 12 I HA -0.106 4.065 4.170 0.001 0.000 0.249 12 I C 2.283 178.429 176.117 0.049 0.000 1.122 12 I CA 0.718 62.047 61.300 0.048 0.000 1.431 12 I CB -0.977 37.044 38.000 0.034 0.000 1.087 12 I HN 0.092 nan 8.210 nan 0.000 0.424 13 E N 0.660 120.885 120.200 0.041 0.000 2.110 13 E HA -0.230 4.121 4.350 0.001 0.000 0.193 13 E C 2.387 179.024 176.600 0.061 0.000 0.988 13 E CA 1.570 57.995 56.400 0.041 0.000 0.804 13 E CB 0.132 29.851 29.700 0.033 0.000 0.745 13 E HN 0.305 nan 8.360 nan 0.000 0.458 14 S N 0.076 115.815 115.700 0.065 0.000 2.368 14 S HA -0.099 4.372 4.470 0.001 0.000 0.224 14 S C 2.010 176.677 174.600 0.113 0.000 1.029 14 S CA 0.855 59.102 58.200 0.079 0.000 0.988 14 S CB -0.239 63.000 63.200 0.065 0.000 0.838 14 S HN 0.442 nan 8.310 nan 0.000 0.462 15 I N 0.862 121.505 120.570 0.121 0.000 2.493 15 I HA -0.034 4.136 4.170 0.001 0.000 0.254 15 I C 1.248 177.526 176.117 0.267 0.000 1.160 15 I CA 1.017 62.426 61.300 0.182 0.000 1.445 15 I CB 0.036 38.132 38.000 0.160 0.000 1.086 15 I HN 0.336 nan 8.210 nan 0.000 0.433 16 L N 0.180 121.501 121.223 0.163 0.000 2.591 16 L HA 0.097 4.438 4.340 0.001 0.000 0.228 16 L C 2.472 179.445 176.870 0.172 0.000 1.133 16 L CA 0.260 55.172 54.840 0.120 0.000 0.880 16 L CB -0.493 41.577 42.059 0.019 0.000 1.033 16 L HN 0.200 nan 8.230 nan 0.000 0.450 17 A N 0.512 123.450 122.820 0.197 0.000 1.927 17 A HA -0.220 4.101 4.320 0.001 0.000 0.220 17 A C 1.855 179.558 177.584 0.198 0.000 1.185 17 A CA 1.793 53.929 52.037 0.166 0.000 0.639 17 A CB -0.376 18.711 19.000 0.144 0.000 0.820 17 A HN 0.350 nan 8.150 nan 0.000 0.451 18 L N -0.263 121.150 121.223 0.316 0.000 2.611 18 L HA 0.210 4.551 4.340 0.001 0.000 0.229 18 L C 0.595 177.682 176.870 0.362 0.000 1.137 18 L CA -0.101 54.935 54.840 0.327 0.000 0.901 18 L CB -1.134 41.133 42.059 0.346 0.000 1.098 18 L HN 0.345 nan 8.230 nan 0.000 0.456 19 N N 0.773 119.625 118.700 0.253 0.000 2.492 19 N HA 0.089 4.830 4.740 0.001 0.000 0.262 19 N C -2.392 173.125 175.510 0.011 0.000 1.202 19 N CA -1.230 51.825 53.050 0.010 0.000 0.926 19 N CB 0.593 38.987 38.487 -0.155 0.000 1.078 19 N HN -0.105 nan 8.380 nan 0.000 0.454 20 P HA 0.095 nan 4.420 nan 0.000 0.264 20 P C -0.885 176.400 177.300 -0.025 0.000 1.193 20 P CA 0.601 63.687 63.100 -0.024 0.000 0.763 20 P CB 0.466 32.136 31.700 -0.050 0.000 0.810 21 R N 0.808 121.303 120.500 -0.008 0.000 2.584 21 R HA 0.345 4.686 4.340 0.001 0.000 0.276 21 R C -0.379 175.921 176.300 -0.001 0.000 1.046 21 R CA -0.763 55.334 56.100 -0.006 0.000 0.906 21 R CB 1.667 31.971 30.300 0.006 0.000 1.215 21 R HN 0.413 nan 8.270 nan 0.000 0.449 22 T N 0.600 115.150 114.554 -0.007 0.000 2.867 22 T HA 0.071 4.422 4.350 0.001 0.000 0.297 22 T C 0.202 174.906 174.700 0.006 0.000 0.989 22 T CA -0.583 61.513 62.100 -0.006 0.000 1.159 22 T CB 0.818 69.677 68.868 -0.015 0.000 0.928 22 T HN 0.204 nan 8.240 nan 0.000 0.538 23 Q N 2.538 122.345 119.800 0.011 0.000 2.235 23 Q HA 0.321 4.662 4.340 0.001 0.000 0.250 23 Q C 1.068 177.071 176.000 0.005 0.000 0.909 23 Q CA -0.340 55.482 55.803 0.031 0.000 0.910 23 Q CB 1.757 30.522 28.738 0.046 0.000 1.223 23 Q HN 0.979 nan 8.270 nan 0.000 0.432 24 S N 0.746 116.454 115.700 0.014 0.000 2.556 24 S HA 0.140 4.610 4.470 0.001 0.000 0.216 24 S C -0.006 174.351 174.600 -0.405 0.000 0.970 24 S CA 0.074 58.187 58.200 -0.145 0.000 0.912 24 S CB 0.089 63.209 63.200 -0.133 0.000 0.790 24 S HN 0.613 nan 8.310 nan 0.000 0.504 25 H N 0.178 119.246 119.070 -0.004 0.000 2.985 25 H HA 0.735 5.292 4.556 0.001 0.000 0.360 25 H C -0.249 175.076 175.328 -0.005 0.000 1.221 25 H CA -0.416 55.628 56.048 -0.007 0.000 1.121 25 H CB 1.229 30.984 29.762 -0.011 0.000 1.854 25 H HN 0.261 nan 8.280 nan 0.000 0.551 26 A N 0.983 123.875 122.820 0.120 0.000 2.386 26 A HA 0.611 4.932 4.320 0.001 0.000 0.248 26 A C 0.269 177.887 177.584 0.056 0.000 1.082 26 A CA 0.150 52.227 52.037 0.066 0.000 0.789 26 A CB -0.185 18.842 19.000 0.045 0.000 1.025 26 A HN 0.793 nan 8.150 nan 0.000 0.490 27 A N 0.536 123.383 122.820 0.046 0.000 2.322 27 A HA 0.592 4.912 4.320 0.001 0.000 0.269 27 A C -0.495 177.051 177.584 -0.064 0.000 1.094 27 A CA -0.299 51.743 52.037 0.009 0.000 0.807 27 A CB 0.361 19.436 19.000 0.124 0.000 1.047 27 A HN 1.300 nan 8.150 nan 0.000 0.487 28 L N 2.594 123.661 121.223 -0.261 0.000 2.342 28 L HA 0.528 4.869 4.340 0.001 0.000 0.276 28 L C -1.195 175.370 176.870 -0.508 0.000 0.997 28 L CA 0.132 54.823 54.840 -0.249 0.000 0.838 28 L CB 0.899 42.855 42.059 -0.172 0.000 1.224 28 L HN 0.748 nan 8.230 nan 0.000 0.416 29 H N 2.486 121.564 119.070 0.014 0.000 3.017 29 H HA 0.337 4.893 4.556 0.001 0.000 0.340 29 H C -0.503 174.835 175.328 0.017 0.000 1.014 29 H CA -0.607 55.452 56.048 0.018 0.000 1.341 29 H CB 1.938 31.713 29.762 0.022 0.000 1.739 29 H HN 0.626 nan 8.280 nan 0.000 0.506 30 S N 1.747 117.514 115.700 0.112 0.000 2.579 30 S HA 0.004 4.475 4.470 0.001 0.000 0.275 30 S C 1.182 175.827 174.600 0.074 0.000 1.345 30 S CA 0.016 58.258 58.200 0.070 0.000 1.031 30 S CB 1.131 64.360 63.200 0.048 0.000 0.892 30 S HN 0.583 nan 8.310 nan 0.000 0.529 31 T N 1.790 116.375 114.554 0.052 0.000 2.759 31 T HA -0.117 4.233 4.350 0.001 0.000 0.269 31 T C 1.617 176.342 174.700 0.041 0.000 1.042 31 T CA 1.544 63.671 62.100 0.044 0.000 1.140 31 T CB -0.531 68.356 68.868 0.033 0.000 0.864 31 T HN 0.551 nan 8.240 nan 0.000 0.455 32 L N 1.385 122.630 121.223 0.038 0.000 2.017 32 L HA 0.102 4.442 4.340 0.001 0.000 0.208 32 L C 2.611 179.504 176.870 0.038 0.000 1.073 32 L CA 1.914 56.774 54.840 0.033 0.000 0.745 32 L CB -1.047 41.028 42.059 0.027 0.000 0.894 32 L HN 0.209 nan 8.230 nan 0.000 0.432 33 A N -0.756 122.094 122.820 0.050 0.000 1.940 33 A HA -0.194 4.127 4.320 0.001 0.000 0.219 33 A C 2.293 179.910 177.584 0.055 0.000 1.176 33 A CA 1.680 53.752 52.037 0.058 0.000 0.631 33 A CB -0.511 18.544 19.000 0.091 0.000 0.814 33 A HN 0.384 nan 8.150 nan 0.000 0.446 34 K N 0.094 120.528 120.400 0.056 0.000 2.057 34 K HA -0.081 4.239 4.320 0.001 0.000 0.206 34 K C 1.933 178.561 176.600 0.047 0.000 1.050 34 K CA 1.483 57.797 56.287 0.045 0.000 0.935 34 K CB -0.358 32.167 32.500 0.042 0.000 0.715 34 K HN 0.527 nan 8.250 nan 0.000 0.439 35 K N 0.706 121.130 120.400 0.040 0.000 2.103 35 K HA -0.074 4.247 4.320 0.001 0.000 0.207 35 K C 2.184 178.804 176.600 0.033 0.000 1.048 35 K CA 1.040 57.348 56.287 0.035 0.000 0.930 35 K CB -0.137 32.379 32.500 0.028 0.000 0.716 35 K HN 0.080 nan 8.250 nan 0.000 0.444 36 L N 0.194 121.436 121.223 0.031 0.000 2.217 36 L HA -0.139 4.201 4.340 0.001 0.000 0.211 36 L C 1.926 178.810 176.870 0.024 0.000 1.107 36 L CA 0.891 55.743 54.840 0.020 0.000 0.783 36 L CB -0.226 41.842 42.059 0.014 0.000 0.919 36 L HN 0.151 nan 8.230 nan 0.000 0.442 37 D N 0.022 120.455 120.400 0.055 0.000 2.271 37 D HA -0.131 4.509 4.640 0.001 0.000 0.206 37 D C 2.148 178.550 176.300 0.169 0.000 0.967 37 D CA 0.550 54.609 54.000 0.099 0.000 0.867 37 D CB 0.271 41.156 40.800 0.142 0.000 0.960 37 D HN 0.001 nan 8.370 nan 0.000 0.509 38 K N 0.653 121.140 120.400 0.144 0.000 2.044 38 K HA -0.196 4.125 4.320 0.001 0.000 0.210 38 K C 1.839 178.515 176.600 0.127 0.000 1.049 38 K CA 1.433 57.819 56.287 0.166 0.000 0.927 38 K CB 0.065 32.620 32.500 0.092 0.000 0.713 38 K HN 0.072 nan 8.250 nan 0.000 0.443 39 K N -0.454 119.975 120.400 0.048 0.000 2.209 39 K HA -0.221 4.099 4.320 0.001 0.000 0.204 39 K C 1.866 178.430 176.600 -0.061 0.000 1.048 39 K CA 1.699 57.985 56.287 -0.002 0.000 0.940 39 K CB -0.660 31.825 32.500 -0.025 0.000 0.729 39 K HN 0.404 nan 8.250 nan 0.000 0.451 40 H N -0.260 118.657 119.070 -0.255 0.000 2.423 40 H HA -0.095 4.462 4.556 0.001 0.000 0.297 40 H C 0.784 175.819 175.328 -0.488 0.000 1.075 40 H CA 1.843 57.580 56.048 -0.518 0.000 1.342 40 H CB -0.045 29.185 29.762 -0.886 0.000 1.395 40 H HN 0.336 nan 8.280 nan 0.000 0.530 41 W N 0.183 121.513 121.300 0.051 0.000 3.220 41 W HA 0.227 4.888 4.660 0.001 0.000 0.328 41 W C 0.419 176.901 176.519 -0.061 0.000 1.205 41 W CA -0.754 56.517 57.345 -0.124 0.000 1.773 41 W CB 0.288 29.637 29.460 -0.185 0.000 1.086 41 W HN -0.164 nan 8.180 nan 0.000 0.622 42 K N 2.163 122.657 120.400 0.156 0.000 2.473 42 K HA -0.062 4.259 4.320 0.001 0.000 0.277 42 K C 1.149 177.827 176.600 0.130 0.000 1.052 42 K CA 0.697 57.049 56.287 0.108 0.000 1.114 42 K CB 0.441 32.972 32.500 0.051 0.000 0.869 42 K HN -0.033 nan 8.250 nan 0.000 0.481 43 R N 2.053 122.612 120.500 0.097 0.000 2.121 43 R HA 0.054 4.394 4.340 0.001 0.000 0.206 43 R C 0.463 176.790 176.300 0.045 0.000 1.094 43 R CA 0.353 56.512 56.100 0.098 0.000 1.055 43 R CB -0.465 29.882 30.300 0.079 0.000 0.964 43 R HN 0.813 nan 8.270 nan 0.000 0.473 44 N N 2.096 120.808 118.700 0.021 0.000 2.405 44 N HA 0.199 4.939 4.740 0.001 0.000 0.269 44 N C -2.644 172.856 175.510 -0.016 0.000 1.249 44 N CA -1.644 51.403 53.050 -0.006 0.000 0.974 44 N CB -0.707 37.773 38.487 -0.011 0.000 1.204 44 N HN -0.240 nan 8.380 nan 0.000 0.565 45 P HA 0.065 nan 4.420 nan 0.000 0.269 45 P C -0.722 176.548 177.300 -0.051 0.000 1.209 45 P CA 0.154 63.228 63.100 -0.043 0.000 0.776 45 P CB 0.299 31.974 31.700 -0.042 0.000 0.876 46 D N 2.127 122.485 120.400 -0.069 0.000 2.316 46 D HA 0.013 4.654 4.640 0.001 0.000 0.245 46 D C 1.125 177.348 176.300 -0.129 0.000 1.171 46 D CA -0.303 53.648 54.000 -0.083 0.000 0.856 46 D CB 0.880 41.630 40.800 -0.084 0.000 1.090 46 D HN 0.358 nan 8.370 nan 0.000 0.476 47 K N 3.150 123.479 120.400 -0.118 0.000 2.280 47 K HA -0.114 4.207 4.320 0.001 0.000 0.202 47 K C 0.591 177.024 176.600 -0.277 0.000 1.047 47 K CA 0.907 57.102 56.287 -0.154 0.000 0.942 47 K CB 0.143 32.584 32.500 -0.098 0.000 0.739 47 K HN 0.178 nan 8.250 nan 0.000 0.457 48 N N 0.464 119.007 118.700 -0.262 0.000 2.422 48 N HA -0.031 4.709 4.740 0.001 0.000 0.181 48 N C -0.013 175.148 175.510 -0.583 0.000 1.080 48 N CA 0.246 53.078 53.050 -0.364 0.000 0.893 48 N CB 0.003 38.412 38.487 -0.130 0.000 0.973 48 N HN 0.205 nan 8.380 nan 0.000 0.456 49 C N 1.023 120.072 119.300 -0.417 0.000 2.499 49 C HA 0.283 4.743 4.460 0.001 0.000 0.386 49 C C 1.589 176.319 174.990 -0.434 0.000 1.293 49 C CA -0.599 58.241 59.018 -0.297 0.000 1.884 49 C CB -1.499 26.152 27.740 -0.147 0.000 2.509 49 C HN 0.249 nan 8.230 nan 0.000 0.566 50 F N 2.308 122.275 119.950 0.027 0.000 2.179 50 F HA 0.166 4.694 4.527 0.001 0.000 0.292 50 F C 1.639 177.494 175.800 0.092 0.000 1.089 50 F CA 0.972 59.004 58.000 0.054 0.000 1.295 50 F CB -0.300 38.734 39.000 0.056 0.000 1.041 50 F HN 0.626 nan 8.300 nan 0.000 0.487 51 H N 0.223 119.379 119.070 0.143 0.000 2.589 51 H HA 0.346 4.903 4.556 0.001 0.000 0.335 51 H C -0.756 174.586 175.328 0.024 0.000 1.019 51 H CA -0.970 55.116 56.048 0.063 0.000 1.213 51 H CB 1.366 31.156 29.762 0.047 0.000 1.472 51 H HN 0.121 nan 8.280 nan 0.000 0.508 52 C N 2.960 121.897 119.300 -0.604 0.000 2.574 52 C HA 0.113 4.574 4.460 0.001 0.000 0.335 52 C C 0.646 175.306 174.990 -0.550 0.000 1.493 52 C CA -0.690 58.062 59.018 -0.444 0.000 2.217 52 C CB 0.544 28.126 27.740 -0.263 0.000 2.056 52 C HN 0.771 nan 8.230 nan 0.000 0.607 53 E N 1.320 121.360 120.200 -0.267 0.000 2.537 53 E HA -0.073 4.278 4.350 0.001 0.000 0.269 53 E C 0.024 176.547 176.600 -0.127 0.000 1.038 53 E CA 0.485 56.786 56.400 -0.164 0.000 0.977 53 E CB 0.226 29.861 29.700 -0.108 0.000 0.973 53 E HN 0.478 nan 8.360 nan 0.000 0.456 54 K N 1.894 122.267 120.400 -0.045 0.000 2.414 54 K HA 0.001 4.322 4.320 0.001 0.000 0.272 54 K C 0.340 176.914 176.600 -0.043 0.000 0.993 54 K CA 0.163 56.448 56.287 -0.003 0.000 0.964 54 K CB 0.257 32.760 32.500 0.005 0.000 0.925 54 K HN 0.402 nan 8.250 nan 0.000 0.487 55 L N 2.774 123.967 121.223 -0.050 0.000 3.298 55 L HA 0.196 4.536 4.340 0.001 0.000 0.296 55 L C -0.030 176.759 176.870 -0.136 0.000 1.237 55 L CA -0.330 54.440 54.840 -0.117 0.000 1.038 55 L CB 0.615 42.574 42.059 -0.167 0.000 1.423 55 L HN 0.733 nan 8.230 nan 0.000 0.605 56 E N 1.548 121.707 120.200 -0.068 0.000 2.417 56 E HA -0.111 4.240 4.350 0.001 0.000 0.261 56 E C 0.558 177.136 176.600 -0.037 0.000 1.000 56 E CA 0.194 56.568 56.400 -0.045 0.000 0.919 56 E CB 0.244 29.944 29.700 0.000 0.000 0.955 56 E HN 0.262 nan 8.360 nan 0.000 0.455 57 N N 3.107 121.790 118.700 -0.028 0.000 2.708 57 N HA -0.248 4.493 4.740 0.001 0.000 0.251 57 N C -1.443 174.093 175.510 0.044 0.000 1.123 57 N CA 0.898 54.019 53.050 0.119 0.000 0.739 57 N CB -1.027 37.559 38.487 0.165 0.000 1.113 57 N HN 0.487 nan 8.380 nan 0.000 0.561 58 N N 0.530 119.085 118.700 -0.241 0.000 2.527 58 N HA 0.225 4.966 4.740 0.001 0.000 0.236 58 N C -0.657 174.642 175.510 -0.352 0.000 0.999 58 N CA -0.228 52.719 53.050 -0.171 0.000 0.935 58 N CB -0.166 38.228 38.487 -0.155 0.000 1.132 58 N HN 0.179 nan 8.380 nan 0.000 0.511 59 F N 0.666 120.683 119.950 0.112 0.000 2.750 59 F HA 0.288 4.816 4.527 0.001 0.000 0.297 59 F C 0.410 176.322 175.800 0.186 0.000 1.138 59 F CA -0.717 57.413 58.000 0.216 0.000 1.346 59 F CB 0.203 39.319 39.000 0.194 0.000 0.965 59 F HN 0.174 nan 8.300 nan 0.000 0.514 60 D N 0.719 121.235 120.400 0.193 0.000 2.382 60 D HA -0.058 4.583 4.640 0.001 0.000 0.240 60 D C 0.034 176.436 176.300 0.171 0.000 1.146 60 D CA 0.116 54.208 54.000 0.152 0.000 0.897 60 D CB 0.607 41.455 40.800 0.079 0.000 1.197 60 D HN 0.068 nan 8.370 nan 0.000 0.432 61 D N 0.706 121.202 120.400 0.160 0.000 2.487 61 D HA -0.050 4.590 4.640 0.001 0.000 0.243 61 D C 0.969 177.353 176.300 0.141 0.000 1.154 61 D CA 0.160 54.260 54.000 0.166 0.000 0.876 61 D CB 0.248 41.123 40.800 0.125 0.000 1.161 61 D HN 0.431 nan 8.370 nan 0.000 0.478 62 I N -0.272 120.402 120.570 0.172 0.000 4.082 62 I HA 0.235 4.406 4.170 0.001 0.000 0.337 62 I C 0.164 176.400 176.117 0.199 0.000 1.352 62 I CA -0.712 60.672 61.300 0.141 0.000 1.097 62 I CB 0.066 38.104 38.000 0.063 0.000 1.048 62 I HN -0.020 nan 8.210 nan 0.000 0.393 63 K N 1.734 122.241 120.400 0.178 0.000 2.448 63 K HA 0.115 4.435 4.320 0.001 0.000 0.278 63 K C 0.185 176.932 176.600 0.246 0.000 1.009 63 K CA 0.067 56.450 56.287 0.160 0.000 0.995 63 K CB 0.607 33.176 32.500 0.116 0.000 0.917 63 K HN 0.388 nan 8.250 nan 0.000 0.481 64 H N 0.280 119.375 119.070 0.042 0.000 2.548 64 H HA -0.056 4.501 4.556 0.001 0.000 0.268 64 H C 1.496 176.841 175.328 0.029 0.000 0.975 64 H CA 1.040 57.106 56.048 0.030 0.000 1.195 64 H CB 0.463 30.240 29.762 0.024 0.000 1.397 64 H HN 0.684 nan 8.280 nan 0.000 0.572 65 T N -1.704 112.942 114.554 0.153 0.000 3.081 65 T HA 0.004 4.354 4.350 0.001 0.000 0.250 65 T C 1.022 175.767 174.700 0.076 0.000 1.100 65 T CA -0.140 62.018 62.100 0.096 0.000 1.038 65 T CB -0.149 68.765 68.868 0.077 0.000 0.962 65 T HN -0.038 nan 8.240 nan 0.000 0.516 66 T N 3.122 117.725 114.554 0.080 0.000 2.908 66 T HA 0.400 4.750 4.350 0.001 0.000 0.301 66 T C -0.226 174.495 174.700 0.036 0.000 1.019 66 T CA 0.154 62.294 62.100 0.066 0.000 1.152 66 T CB 0.132 69.041 68.868 0.069 0.000 0.966 66 T HN 0.290 nan 8.240 nan 0.000 0.540 67 L N 2.087 123.327 121.223 0.029 0.000 2.354 67 L HA 0.716 5.057 4.340 0.001 0.000 0.269 67 L C 0.863 177.679 176.870 -0.090 0.000 1.005 67 L CA -1.041 53.766 54.840 -0.056 0.000 0.819 67 L CB 2.049 44.044 42.059 -0.107 0.000 1.311 67 L HN 0.734 nan 8.230 nan 0.000 0.423 68 G N -0.321 108.340 108.800 -0.231 0.000 2.552 68 G HA2 0.247 4.208 3.960 0.001 0.000 0.318 68 G HA3 0.247 4.208 3.960 0.001 0.000 0.318 68 G C 0.377 174.939 174.900 -0.564 0.000 1.240 68 G CA -0.260 44.660 45.100 -0.301 0.000 1.002 68 G HN 0.787 nan 8.290 nan 0.000 0.493 69 E N -0.556 119.380 120.200 -0.439 0.000 2.058 69 E HA -0.196 4.155 4.350 0.001 0.000 0.194 69 E C 2.284 178.648 176.600 -0.393 0.000 0.997 69 E CA 1.144 57.197 56.400 -0.578 0.000 0.801 69 E CB -0.066 29.598 29.700 -0.059 0.000 0.746 69 E HN 0.503 nan 8.360 nan 0.000 0.450 70 R N -0.111 120.262 120.500 -0.212 0.000 2.094 70 R HA -0.151 4.190 4.340 0.001 0.000 0.239 70 R C 2.362 178.574 176.300 -0.146 0.000 1.137 70 R CA 1.890 57.923 56.100 -0.112 0.000 0.943 70 R CB -0.749 29.538 30.300 -0.022 0.000 0.850 70 R HN 0.302 nan 8.270 nan 0.000 0.433 71 G N -0.308 108.381 108.800 -0.185 0.000 2.408 71 G HA2 -0.209 3.752 3.960 0.001 0.000 0.217 71 G HA3 -0.209 3.752 3.960 0.001 0.000 0.217 71 G C 1.528 176.303 174.900 -0.207 0.000 1.150 71 G CA 0.721 45.726 45.100 -0.158 0.000 0.776 71 G HN 0.509 nan 8.290 nan 0.000 0.542 72 A N 0.606 123.191 122.820 -0.391 0.000 1.898 72 A HA 0.132 4.452 4.320 0.001 0.000 0.216 72 A C 2.415 179.868 177.584 -0.218 0.000 1.181 72 A CA 1.107 52.893 52.037 -0.418 0.000 0.620 72 A CB -0.380 17.989 19.000 -1.053 0.000 0.819 72 A HN 0.344 nan 8.150 nan 0.000 0.442 73 L N -1.079 120.030 121.223 -0.191 0.000 2.046 73 L HA -0.196 4.145 4.340 0.001 0.000 0.208 73 L C 2.906 179.760 176.870 -0.027 0.000 1.077 73 L CA 1.454 56.270 54.840 -0.039 0.000 0.747 73 L CB -0.481 41.579 42.059 0.001 0.000 0.896 73 L HN 0.364 nan 8.230 nan 0.000 0.432 74 R N -0.198 120.272 120.500 -0.050 0.000 2.073 74 R HA -0.209 4.132 4.340 0.001 0.000 0.234 74 R C 2.249 178.533 176.300 -0.027 0.000 1.134 74 R CA 1.576 57.657 56.100 -0.031 0.000 0.952 74 R CB -0.231 30.048 30.300 -0.035 0.000 0.850 74 R HN 0.222 nan 8.270 nan 0.000 0.433 75 E N 0.717 120.893 120.200 -0.039 0.000 2.106 75 E HA -0.100 4.250 4.350 0.001 0.000 0.192 75 E C 1.757 178.346 176.600 -0.017 0.000 0.984 75 E CA 1.377 57.761 56.400 -0.027 0.000 0.806 75 E CB -0.062 29.620 29.700 -0.029 0.000 0.750 75 E HN 0.333 nan 8.360 nan 0.000 0.458 76 A N 0.085 122.899 122.820 -0.010 0.000 1.930 76 A HA -0.125 4.195 4.320 0.001 0.000 0.217 76 A C 2.189 179.776 177.584 0.004 0.000 1.175 76 A CA 1.537 53.577 52.037 0.005 0.000 0.627 76 A CB -0.450 18.582 19.000 0.054 0.000 0.815 76 A HN 0.327 nan 8.150 nan 0.000 0.443 77 M N -1.585 118.020 119.600 0.009 0.000 2.319 77 M HA -0.048 4.433 4.480 0.001 0.000 0.265 77 M C 2.283 178.585 176.300 0.003 0.000 1.068 77 M CA 1.269 56.576 55.300 0.012 0.000 1.118 77 M CB -0.144 32.463 32.600 0.012 0.000 1.395 77 M HN 0.441 nan 8.290 nan 0.000 0.435 78 R N 0.059 120.557 120.500 -0.004 0.000 2.115 78 R HA -0.042 4.299 4.340 0.001 0.000 0.226 78 R C 0.790 177.085 176.300 -0.007 0.000 1.100 78 R CA 0.447 56.544 56.100 -0.004 0.000 0.980 78 R CB -0.072 30.224 30.300 -0.007 0.000 0.875 78 R HN 0.437 nan 8.270 nan 0.000 0.445 79 C N 1.346 120.635 119.300 -0.018 0.000 2.596 79 C HA 0.026 4.487 4.460 0.001 0.000 0.414 79 C C 1.905 176.882 174.990 -0.022 0.000 1.396 79 C CA -0.424 58.575 59.018 -0.032 0.000 1.698 79 C CB -0.522 27.179 27.740 -0.065 0.000 2.572 79 C HN 0.574 nan 8.230 nan 0.000 0.604 80 L N 3.922 125.134 121.223 -0.018 0.000 2.376 80 L HA 0.025 4.366 4.340 0.001 0.000 0.219 80 L C 1.595 178.455 176.870 -0.016 0.000 1.133 80 L CA 0.570 55.406 54.840 -0.007 0.000 0.816 80 L CB -0.612 41.447 42.059 -0.000 0.000 0.933 80 L HN 0.826 nan 8.230 nan 0.000 0.449 81 K N -0.232 120.143 120.400 -0.040 0.000 3.419 81 K HA -0.170 4.151 4.320 0.001 0.000 0.272 81 K C -0.085 176.491 176.600 -0.039 0.000 0.973 81 K CA -0.041 56.214 56.287 -0.053 0.000 0.749 81 K CB -2.401 30.076 32.500 -0.039 0.000 1.403 81 K HN 0.316 nan 8.250 nan 0.000 0.456 82 C N 0.666 119.943 119.300 -0.039 0.000 2.703 82 C HA 0.368 4.829 4.460 0.001 0.000 0.411 82 C C 1.643 176.615 174.990 -0.030 0.000 1.290 82 C CA -0.417 58.584 59.018 -0.028 0.000 2.054 82 C CB -0.011 27.715 27.740 -0.023 0.000 2.732 82 C HN 0.658 nan 8.230 nan 0.000 0.650 83 A N 1.144 123.952 122.820 -0.020 0.000 2.371 83 A HA 0.461 4.781 4.320 0.001 0.000 0.257 83 A C 0.666 178.241 177.584 -0.014 0.000 1.089 83 A CA 0.081 52.108 52.037 -0.017 0.000 0.794 83 A CB -0.099 18.893 19.000 -0.013 0.000 1.029 83 A HN 1.094 nan 8.150 nan 0.000 0.488 84 D N -0.053 120.341 120.400 -0.010 0.000 2.702 84 D HA -0.139 4.502 4.640 0.001 0.000 0.233 84 D C 0.509 176.802 176.300 -0.012 0.000 1.164 84 D CA 1.079 55.078 54.000 -0.002 0.000 0.638 84 D CB -1.183 39.622 40.800 0.009 0.000 1.041 84 D HN 1.161 nan 8.370 nan 0.000 0.422 85 A N 0.709 123.510 122.820 -0.032 0.000 2.583 85 A HA 0.128 4.449 4.320 0.001 0.000 0.249 85 A C -0.453 177.110 177.584 -0.035 0.000 1.035 85 A CA 0.064 52.076 52.037 -0.041 0.000 0.777 85 A CB 0.354 19.314 19.000 -0.068 0.000 0.942 85 A HN 0.338 nan 8.150 nan 0.000 0.516 86 P HA -0.137 nan 4.420 nan 0.000 0.221 86 P C 1.610 178.900 177.300 -0.018 0.000 1.150 86 P CA 1.617 64.710 63.100 -0.011 0.000 0.800 86 P CB -0.421 31.276 31.700 -0.006 0.000 0.787 87 C N -0.439 118.844 119.300 -0.029 0.000 2.429 87 C HA -0.108 4.353 4.460 0.001 0.000 0.277 87 C C 3.002 177.969 174.990 -0.037 0.000 1.262 87 C CA 0.975 59.975 59.018 -0.029 0.000 1.733 87 C CB -2.206 25.511 27.740 -0.037 0.000 2.010 87 C HN 0.216 nan 8.230 nan 0.000 0.483 88 Q N 1.257 121.011 119.800 -0.076 0.000 2.124 88 Q HA -0.162 4.179 4.340 0.001 0.000 0.202 88 Q C 2.238 178.177 176.000 -0.101 0.000 0.977 88 Q CA 1.421 57.136 55.803 -0.147 0.000 0.850 88 Q CB -0.140 28.434 28.738 -0.274 0.000 0.901 88 Q HN 0.641 nan 8.270 nan 0.000 0.429 89 K N 0.068 120.454 120.400 -0.023 0.000 2.147 89 K HA -0.051 4.270 4.320 0.001 0.000 0.205 89 K C 1.844 178.486 176.600 0.070 0.000 1.049 89 K CA 1.271 57.606 56.287 0.080 0.000 0.936 89 K CB -0.001 32.534 32.500 0.058 0.000 0.722 89 K HN 0.107 nan 8.250 nan 0.000 0.446 90 S N 0.515 116.232 115.700 0.028 0.000 2.593 90 S HA -0.010 4.461 4.470 0.001 0.000 0.217 90 S C 0.712 175.327 174.600 0.026 0.000 0.966 90 S CA -0.277 57.935 58.200 0.022 0.000 0.914 90 S CB -0.189 63.012 63.200 0.001 0.000 0.776 90 S HN 0.332 nan 8.310 nan 0.000 0.523 91 C N 3.456 122.777 119.300 0.035 0.000 2.285 91 C HA 0.456 4.917 4.460 0.001 0.000 0.335 91 C C -1.566 173.461 174.990 0.062 0.000 1.267 91 C CA -2.212 56.828 59.018 0.037 0.000 1.762 91 C CB 0.482 28.237 27.740 0.025 0.000 2.365 91 C HN 0.240 nan 8.230 nan 0.000 0.527 92 P HA -0.099 nan 4.420 nan 0.000 0.218 92 P C 1.241 178.573 177.300 0.053 0.000 1.146 92 P CA 1.887 65.015 63.100 0.046 0.000 0.813 92 P CB 0.055 31.773 31.700 0.031 0.000 0.778 93 T N -6.611 107.976 114.554 0.054 0.000 3.145 93 T HA 0.160 4.511 4.350 0.001 0.000 0.255 93 T C 0.395 175.167 174.700 0.121 0.000 1.039 93 T CA -0.304 61.830 62.100 0.057 0.000 0.928 93 T CB -1.059 67.826 68.868 0.029 0.000 1.029 93 T HN 0.067 nan 8.240 nan 0.000 0.554 94 H N -0.144 118.924 119.070 -0.004 0.000 2.713 94 H HA -0.115 4.442 4.556 0.001 0.000 0.311 94 H C -0.436 174.900 175.328 0.015 0.000 1.175 94 H CA -0.177 55.872 56.048 0.001 0.000 1.143 94 H CB -2.271 27.483 29.762 -0.012 0.000 1.434 94 H HN 0.352 nan 8.280 nan 0.000 0.418 95 L N 1.048 122.267 121.223 -0.007 0.000 2.490 95 L HA 0.056 4.397 4.340 0.001 0.000 0.274 95 L C 0.928 177.782 176.870 -0.027 0.000 1.201 95 L CA 0.772 55.617 54.840 0.009 0.000 0.869 95 L CB 0.362 42.457 42.059 0.060 0.000 1.123 95 L HN 0.382 nan 8.230 nan 0.000 0.484 96 D N 3.765 124.176 120.400 0.018 0.000 2.551 96 D HA 0.057 4.698 4.640 0.001 0.000 0.223 96 D C 1.330 177.665 176.300 0.058 0.000 1.144 96 D CA 0.205 54.198 54.000 -0.011 0.000 1.025 96 D CB 0.070 40.873 40.800 0.005 0.000 1.085 96 D HN 0.437 nan 8.370 nan 0.000 0.506 97 I N 1.901 122.461 120.570 -0.016 0.000 2.226 97 I HA -0.263 3.908 4.170 0.001 0.000 0.245 97 I C 2.474 178.341 176.117 -0.417 0.000 1.100 97 I CA 0.855 62.004 61.300 -0.252 0.000 1.374 97 I CB -0.124 37.759 38.000 -0.194 0.000 1.057 97 I HN 0.307 nan 8.210 nan 0.000 0.413 98 K N 1.069 121.340 120.400 -0.215 0.000 2.044 98 K HA -0.209 4.112 4.320 0.001 0.000 0.210 98 K C 2.218 178.728 176.600 -0.150 0.000 1.049 98 K CA 2.183 58.367 56.287 -0.172 0.000 0.927 98 K CB -0.071 32.369 32.500 -0.101 0.000 0.713 98 K HN 0.175 nan 8.250 nan 0.000 0.443 99 S N 0.610 116.257 115.700 -0.088 0.000 2.371 99 S HA -0.100 4.371 4.470 0.001 0.000 0.224 99 S C 1.618 176.233 174.600 0.026 0.000 1.029 99 S CA 1.270 59.452 58.200 -0.030 0.000 0.978 99 S CB -0.437 62.761 63.200 -0.003 0.000 0.833 99 S HN 0.559 nan 8.310 nan 0.000 0.466 100 F N 1.819 121.753 119.950 -0.026 0.000 2.234 100 F HA 0.145 4.673 4.527 0.001 0.000 0.299 100 F C 1.668 177.488 175.800 0.032 0.000 1.087 100 F CA 0.667 58.662 58.000 -0.008 0.000 1.340 100 F CB -0.712 38.273 39.000 -0.024 0.000 1.031 100 F HN 0.099 nan 8.300 nan 0.000 0.500 101 I N 0.432 120.730 120.570 -0.452 0.000 2.439 101 I HA -0.198 3.973 4.170 0.001 0.000 0.251 101 I C 2.217 178.306 176.117 -0.048 0.000 1.139 101 I CA 1.375 62.505 61.300 -0.283 0.000 1.438 101 I CB -0.816 36.914 38.000 -0.451 0.000 1.085 101 I HN 0.216 nan 8.210 nan 0.000 0.427 102 T N 0.174 114.698 114.554 -0.050 0.000 2.746 102 T HA -0.150 4.201 4.350 0.001 0.000 0.267 102 T C 2.150 176.888 174.700 0.064 0.000 1.039 102 T CA 1.761 63.865 62.100 0.006 0.000 1.142 102 T CB -0.120 68.740 68.868 -0.013 0.000 0.866 102 T HN 0.267 nan 8.240 nan 0.000 0.444 103 S N 1.051 116.803 115.700 0.086 0.000 2.370 103 S HA -0.028 4.443 4.470 0.001 0.000 0.226 103 S C 2.035 176.742 174.600 0.179 0.000 1.033 103 S CA 0.963 59.236 58.200 0.120 0.000 1.011 103 S CB -0.434 62.844 63.200 0.130 0.000 0.852 103 S HN 0.424 nan 8.310 nan 0.000 0.457 104 I N 1.927 122.657 120.570 0.266 0.000 2.226 104 I HA -0.200 3.971 4.170 0.001 0.000 0.245 104 I C 2.659 178.951 176.117 0.292 0.000 1.100 104 I CA 1.435 62.978 61.300 0.405 0.000 1.374 104 I CB -0.579 37.666 38.000 0.408 0.000 1.057 104 I HN 0.382 nan 8.210 nan 0.000 0.413 105 S N 0.844 116.646 115.700 0.169 0.000 2.419 105 S HA -0.127 4.344 4.470 0.001 0.000 0.233 105 S C 1.442 176.107 174.600 0.109 0.000 1.016 105 S CA 1.138 59.409 58.200 0.119 0.000 0.974 105 S CB -0.422 62.822 63.200 0.074 0.000 0.786 105 S HN 0.417 nan 8.310 nan 0.000 0.492 106 N N 1.484 120.247 118.700 0.104 0.000 2.268 106 N HA 0.234 4.975 4.740 0.001 0.000 0.204 106 N C -0.246 175.270 175.510 0.010 0.000 1.124 106 N CA 0.100 53.197 53.050 0.079 0.000 0.838 106 N CB -0.037 38.520 38.487 0.117 0.000 0.994 106 N HN 0.523 nan 8.380 nan 0.000 0.489 107 K N -0.721 119.661 120.400 -0.030 0.000 3.274 107 K HA -0.212 4.108 4.320 0.001 0.000 0.300 107 K C -0.236 175.985 176.600 -0.633 0.000 1.230 107 K CA 0.520 56.590 56.287 -0.361 0.000 0.884 107 K CB -1.600 30.792 32.500 -0.180 0.000 1.242 107 K HN 0.138 nan 8.250 nan 0.000 0.467 108 N N 0.834 119.380 118.700 -0.257 0.000 3.083 108 N HA 0.110 4.851 4.740 0.001 0.000 0.260 108 N C 0.389 175.922 175.510 0.038 0.000 1.163 108 N CA -0.271 52.722 53.050 -0.096 0.000 1.060 108 N CB 0.164 38.677 38.487 0.044 0.000 1.345 108 N HN 0.084 nan 8.380 nan 0.000 0.515 109 Y N 0.694 121.123 120.300 0.216 0.000 2.293 109 Y HA -0.133 4.417 4.550 0.001 0.000 0.291 109 Y C 1.789 177.784 175.900 0.159 0.000 1.137 109 Y CA 0.716 58.926 58.100 0.183 0.000 1.202 109 Y CB -1.036 37.516 38.460 0.154 0.000 0.990 109 Y HN 0.541 nan 8.280 nan 0.000 0.537 110 Y N 0.614 121.056 120.300 0.236 0.000 2.114 110 Y HA -0.105 4.446 4.550 0.001 0.000 0.284 110 Y C 2.555 178.480 175.900 0.042 0.000 1.143 110 Y CA 1.518 59.710 58.100 0.153 0.000 1.135 110 Y CB -0.819 37.733 38.460 0.152 0.000 0.980 110 Y HN 0.052 nan 8.280 nan 0.000 0.499 111 G N -0.033 108.711 108.800 -0.093 0.000 2.442 111 G HA2 -0.283 3.678 3.960 0.001 0.000 0.219 111 G HA3 -0.283 3.678 3.960 0.001 0.000 0.219 111 G C 1.811 176.619 174.900 -0.153 0.000 1.141 111 G CA 1.173 46.165 45.100 -0.179 0.000 0.763 111 G HN 0.654 nan 8.290 nan 0.000 0.554 112 A N 1.172 123.989 122.820 -0.005 0.000 1.873 112 A HA 0.292 4.612 4.320 0.001 0.000 0.215 112 A C 2.841 180.362 177.584 -0.105 0.000 1.186 112 A CA 2.267 54.350 52.037 0.076 0.000 0.616 112 A CB -0.852 18.303 19.000 0.259 0.000 0.823 112 A HN 0.801 nan 8.150 nan 0.000 0.442 113 A N -0.138 122.580 122.820 -0.170 0.000 1.902 113 A HA -0.182 4.139 4.320 0.001 0.000 0.217 113 A C 2.142 179.490 177.584 -0.393 0.000 1.181 113 A CA 2.057 53.943 52.037 -0.251 0.000 0.623 113 A CB -0.485 18.323 19.000 -0.320 0.000 0.818 113 A HN 0.577 nan 8.150 nan 0.000 0.443 114 K N -1.294 118.760 120.400 -0.575 0.000 2.057 114 K HA -0.202 4.118 4.320 0.001 0.000 0.207 114 K C 2.029 178.480 176.600 -0.248 0.000 1.049 114 K CA 1.943 57.954 56.287 -0.459 0.000 0.931 114 K CB -0.247 31.886 32.500 -0.612 0.000 0.714 114 K HN 0.360 nan 8.250 nan 0.000 0.440 115 M N 1.206 120.685 119.600 -0.202 0.000 2.132 115 M HA -0.070 4.411 4.480 0.001 0.000 0.263 115 M C 1.688 177.909 176.300 -0.131 0.000 1.065 115 M CA 1.457 56.694 55.300 -0.104 0.000 1.122 115 M CB -0.150 32.445 32.600 -0.008 0.000 1.365 115 M HN 0.225 nan 8.290 nan 0.000 0.411 116 I N -0.927 119.502 120.570 -0.235 0.000 2.142 116 I HA -0.301 3.869 4.170 0.001 0.000 0.240 116 I C 1.824 177.705 176.117 -0.393 0.000 1.078 116 I CA 1.423 62.498 61.300 -0.375 0.000 1.343 116 I CB -0.489 37.178 38.000 -0.556 0.000 1.046 116 I HN 0.164 nan 8.210 nan 0.000 0.405 117 F N 0.572 120.220 119.950 -0.505 0.000 2.365 117 F HA -0.145 4.383 4.527 0.001 0.000 0.300 117 F C 2.699 178.260 175.800 -0.399 0.000 1.090 117 F CA 0.943 58.562 58.000 -0.636 0.000 1.408 117 F CB -0.582 37.587 39.000 -1.384 0.000 1.060 117 F HN -0.044 nan 8.300 nan 0.000 0.534 118 S N -0.594 115.053 115.700 -0.088 0.000 2.383 118 S HA -0.187 4.283 4.470 0.001 0.000 0.229 118 S C 1.571 176.250 174.600 0.132 0.000 1.030 118 S CA 1.573 59.805 58.200 0.054 0.000 1.002 118 S CB -0.196 63.011 63.200 0.011 0.000 0.829 118 S HN 0.386 nan 8.310 nan 0.000 0.467 119 D N 0.139 120.577 120.400 0.063 0.000 2.389 119 D HA 0.127 4.768 4.640 0.001 0.000 0.206 119 D C 0.120 176.499 176.300 0.133 0.000 1.055 119 D CA 0.265 54.347 54.000 0.137 0.000 0.856 119 D CB 0.207 41.047 40.800 0.066 0.000 0.957 119 D HN 0.165 nan 8.370 nan 0.000 0.509 120 N N 0.402 119.077 118.700 -0.041 0.000 2.594 120 N HA 0.150 4.890 4.740 0.001 0.000 0.280 120 N C -2.437 172.868 175.510 -0.341 0.000 1.156 120 N CA -1.479 51.494 53.050 -0.129 0.000 0.831 120 N CB 2.112 40.470 38.487 -0.216 0.000 1.379 120 N HN -0.308 nan 8.380 nan 0.000 0.536 121 P HA 0.002 nan 4.420 nan 0.000 0.223 121 P C 0.278 177.470 177.300 -0.179 0.000 1.144 121 P CA 0.859 63.859 63.100 -0.165 0.000 0.783 121 P CB 0.357 31.961 31.700 -0.159 0.000 0.771 122 L N -1.479 119.589 121.223 -0.257 0.000 3.108 122 L HA 0.368 4.709 4.340 0.001 0.000 0.251 122 L C 1.870 178.520 176.870 -0.367 0.000 1.315 122 L CA 0.066 54.784 54.840 -0.203 0.000 1.048 122 L CB -0.681 41.326 42.059 -0.087 0.000 1.432 122 L HN -0.104 nan 8.230 nan 0.000 0.543 123 G N -0.094 108.175 108.800 -0.885 0.000 2.469 123 G HA2 -0.275 3.685 3.960 0.001 0.000 0.220 123 G HA3 -0.275 3.685 3.960 0.001 0.000 0.220 123 G C 1.451 176.104 174.900 -0.412 0.000 1.136 123 G CA 0.823 45.393 45.100 -0.884 0.000 0.759 123 G HN 0.363 nan 8.290 nan 0.000 0.562 124 L N 0.758 121.894 121.223 -0.145 0.000 2.044 124 L HA 0.085 4.426 4.340 0.001 0.000 0.205 124 L C 2.909 179.789 176.870 0.016 0.000 1.075 124 L CA 2.438 57.318 54.840 0.067 0.000 0.747 124 L CB -1.145 41.097 42.059 0.304 0.000 0.903 124 L HN 0.170 nan 8.230 nan 0.000 0.435 125 T N -0.916 113.647 114.554 0.015 0.000 2.635 125 T HA -0.250 4.101 4.350 0.001 0.000 0.267 125 T C 1.999 176.686 174.700 -0.021 0.000 1.040 125 T CA 1.942 64.045 62.100 0.004 0.000 1.156 125 T CB -0.737 68.132 68.868 0.001 0.000 0.863 125 T HN 0.487 nan 8.240 nan 0.000 0.430 126 C N 1.230 120.493 119.300 -0.061 0.000 2.429 126 C HA 0.049 4.509 4.460 0.001 0.000 0.277 126 C C 3.086 178.050 174.990 -0.043 0.000 1.262 126 C CA 0.348 59.331 59.018 -0.057 0.000 1.733 126 C CB -1.596 26.090 27.740 -0.090 0.000 2.010 126 C HN 0.748 nan 8.230 nan 0.000 0.483 127 G N 0.096 108.859 108.800 -0.061 0.000 2.450 127 G HA2 -0.230 3.730 3.960 0.001 0.000 0.220 127 G HA3 -0.230 3.730 3.960 0.001 0.000 0.220 127 G C 1.598 176.504 174.900 0.009 0.000 1.130 127 G CA 0.806 45.890 45.100 -0.027 0.000 0.760 127 G HN 0.521 nan 8.290 nan 0.000 0.557 128 M N 0.087 119.693 119.600 0.010 0.000 2.287 128 M HA 0.061 4.542 4.480 0.001 0.000 0.266 128 M C 2.466 178.780 176.300 0.023 0.000 1.079 128 M CA 1.090 56.406 55.300 0.026 0.000 1.146 128 M CB 0.213 32.832 32.600 0.031 0.000 1.374 128 M HN 0.248 nan 8.290 nan 0.000 0.435 129 V N -3.983 115.938 119.914 0.012 0.000 3.645 129 V HA 0.198 4.318 4.120 0.001 0.000 0.275 129 V C 0.794 176.891 176.094 0.006 0.000 1.356 129 V CA -0.619 61.688 62.300 0.011 0.000 1.051 129 V CB -0.743 31.085 31.823 0.008 0.000 0.828 129 V HN 0.277 nan 8.190 nan 0.000 0.441 130 C N 4.432 123.734 119.300 0.002 0.000 2.596 130 C HA 0.261 4.722 4.460 0.001 0.000 0.414 130 C C -1.318 173.673 174.990 0.002 0.000 1.396 130 C CA -0.071 58.948 59.018 0.002 0.000 1.698 130 C CB 0.077 27.818 27.740 0.001 0.000 2.572 130 C HN 0.547 nan 8.230 nan 0.000 0.604 131 P HA 0.094 nan 4.420 nan 0.000 0.231 131 P C 1.001 178.296 177.300 -0.008 0.000 1.811 131 P CA 0.266 63.359 63.100 -0.011 0.000 1.051 131 P CB -0.019 31.671 31.700 -0.016 0.000 1.951 132 T N -0.896 113.658 114.554 0.000 0.000 2.721 132 T HA -0.247 4.103 4.350 0.001 0.000 0.268 132 T C 1.851 176.548 174.700 -0.004 0.000 1.038 132 T CA 2.043 64.147 62.100 0.006 0.000 1.145 132 T CB -1.183 67.697 68.868 0.020 0.000 0.858 132 T HN 0.322 nan 8.240 nan 0.000 0.459 133 S N 1.206 116.899 115.700 -0.011 0.000 2.442 133 S HA -0.138 4.332 4.470 0.001 0.000 0.236 133 S C 1.613 176.190 174.600 -0.038 0.000 1.007 133 S CA 1.405 59.591 58.200 -0.022 0.000 0.965 133 S CB -0.575 62.612 63.200 -0.022 0.000 0.773 133 S HN 0.611 nan 8.310 nan 0.000 0.504 134 D N -0.311 120.071 120.400 -0.030 0.000 2.363 134 D HA 0.391 5.032 4.640 0.001 0.000 0.214 134 D C 0.667 176.954 176.300 -0.022 0.000 1.093 134 D CA 0.014 53.996 54.000 -0.031 0.000 0.837 134 D CB 0.192 40.976 40.800 -0.027 0.000 0.948 134 D HN 0.444 nan 8.370 nan 0.000 0.507 135 L N -1.255 119.958 121.223 -0.016 0.000 2.910 135 L HA 0.216 4.556 4.340 0.001 0.000 0.222 135 L C 2.327 179.193 176.870 -0.006 0.000 1.846 135 L CA -0.321 54.515 54.840 -0.006 0.000 2.581 135 L CB -0.697 41.363 42.059 0.002 0.000 2.436 135 L HN 0.051 nan 8.230 nan 0.000 0.659 136 C N -0.141 119.162 119.300 0.005 0.000 2.393 136 C HA -0.124 4.336 4.460 0.001 0.000 0.276 136 C C 2.403 177.393 174.990 -0.001 0.000 1.215 136 C CA 0.584 59.606 59.018 0.006 0.000 1.743 136 C CB -1.328 26.425 27.740 0.022 0.000 2.044 136 C HN 0.483 nan 8.230 nan 0.000 0.464 137 V N 2.210 122.127 119.914 0.006 0.000 2.594 137 V HA -0.021 4.099 4.120 0.001 0.000 0.253 137 V C 2.971 179.056 176.094 -0.015 0.000 1.069 137 V CA 2.209 64.515 62.300 0.009 0.000 1.082 137 V CB -1.584 30.253 31.823 0.024 0.000 0.680 137 V HN 0.793 nan 8.190 nan 0.000 0.469 138 G N -0.140 108.635 108.800 -0.041 0.000 2.498 138 G HA2 -0.074 3.887 3.960 0.001 0.000 0.219 138 G HA3 -0.074 3.887 3.960 0.001 0.000 0.219 138 G C 1.298 176.133 174.900 -0.108 0.000 1.119 138 G CA 0.832 45.875 45.100 -0.094 0.000 0.766 138 G HN 0.626 nan 8.290 nan 0.000 0.552 139 G N -1.162 107.605 108.800 -0.056 0.000 3.324 139 G HA2 0.180 4.141 3.960 0.001 0.000 0.251 139 G HA3 0.180 4.141 3.960 0.001 0.000 0.251 139 G C 0.421 175.312 174.900 -0.015 0.000 1.072 139 G CA 0.036 45.111 45.100 -0.042 0.000 0.787 139 G HN 0.380 nan 8.290 nan 0.000 0.537 140 C N 1.680 120.981 119.300 0.002 0.000 2.633 140 C HA 0.137 4.598 4.460 0.001 0.000 0.415 140 C C 1.874 176.902 174.990 0.064 0.000 1.393 140 C CA -0.427 58.608 59.018 0.029 0.000 1.700 140 C CB -0.473 27.293 27.740 0.044 0.000 2.541 140 C HN 0.471 nan 8.230 nan 0.000 0.603 141 N N 3.315 122.040 118.700 0.042 0.000 2.223 141 N HA -0.104 4.637 4.740 0.001 0.000 0.185 141 N C 1.452 177.003 175.510 0.068 0.000 1.016 141 N CA 1.283 54.364 53.050 0.052 0.000 0.863 141 N CB -0.164 38.338 38.487 0.025 0.000 0.983 141 N HN 0.775 nan 8.380 nan 0.000 0.429 142 L N 0.124 121.381 121.223 0.057 0.000 2.633 142 L HA -0.120 4.220 4.340 0.001 0.000 0.235 142 L C 1.851 178.752 176.870 0.052 0.000 1.163 142 L CA 0.290 55.154 54.840 0.040 0.000 0.859 142 L CB -0.394 41.678 42.059 0.021 0.000 0.973 142 L HN 0.153 nan 8.230 nan 0.000 0.451 143 Y N 0.696 120.991 120.300 -0.008 0.000 2.421 143 Y HA -0.158 4.393 4.550 0.001 0.000 0.292 143 Y C 2.202 178.098 175.900 -0.007 0.000 1.136 143 Y CA 0.898 58.994 58.100 -0.006 0.000 1.255 143 Y CB 0.040 38.497 38.460 -0.005 0.000 0.991 143 Y HN 0.136 nan 8.280 nan 0.000 0.552 144 A N -0.026 122.821 122.820 0.045 0.000 2.276 144 A HA 0.168 4.488 4.320 0.001 0.000 0.212 144 A C 0.797 178.340 177.584 -0.068 0.000 1.230 144 A CA 0.683 52.715 52.037 -0.008 0.000 0.844 144 A CB -1.138 17.887 19.000 0.041 0.000 0.860 144 A HN 0.384 nan 8.150 nan 0.000 0.486 145 T N -4.828 109.665 114.554 -0.102 0.000 2.924 145 T HA 0.523 4.874 4.350 0.001 0.000 0.291 145 T C 0.400 175.023 174.700 -0.128 0.000 1.045 145 T CA -0.432 61.615 62.100 -0.089 0.000 1.015 145 T CB 1.450 70.287 68.868 -0.051 0.000 1.103 145 T HN 0.104 nan 8.240 nan 0.000 0.496 146 E N 0.776 120.916 120.200 -0.099 0.000 2.085 146 E HA -0.175 4.175 4.350 0.001 0.000 0.194 146 E C 2.115 178.659 176.600 -0.093 0.000 0.994 146 E CA 1.675 58.015 56.400 -0.100 0.000 0.801 146 E CB -0.075 29.584 29.700 -0.069 0.000 0.743 146 E HN 0.851 nan 8.360 nan 0.000 0.453 147 E N 0.606 120.765 120.200 -0.067 0.000 2.338 147 E HA -0.051 4.299 4.350 0.001 0.000 0.197 147 E C 1.105 177.672 176.600 -0.055 0.000 1.007 147 E CA 0.915 57.286 56.400 -0.050 0.000 0.849 147 E CB -0.397 29.285 29.700 -0.030 0.000 0.774 147 E HN 0.142 nan 8.360 nan 0.000 0.506 148 G N 0.666 109.415 108.800 -0.085 0.000 2.757 148 G HA2 -0.218 3.743 3.960 0.001 0.000 0.638 148 G HA3 -0.218 3.743 3.960 0.001 0.000 0.638 148 G C -0.326 174.573 174.900 -0.003 0.000 1.344 148 G CA -0.202 44.851 45.100 -0.079 0.000 0.855 148 G HN 0.273 nan 8.290 nan 0.000 0.537 149 S N -0.154 115.586 115.700 0.067 0.000 2.569 149 S HA 0.385 4.856 4.470 0.001 0.000 0.274 149 S C 1.196 175.825 174.600 0.049 0.000 1.353 149 S CA -0.333 57.922 58.200 0.091 0.000 1.023 149 S CB 0.457 63.749 63.200 0.154 0.000 0.876 149 S HN 0.614 nan 8.310 nan 0.000 0.540 150 I N 2.610 123.199 120.570 0.033 0.000 2.575 150 I HA 0.064 4.234 4.170 0.001 0.000 0.285 150 I C 0.845 176.978 176.117 0.028 0.000 1.085 150 I CA -0.226 61.083 61.300 0.016 0.000 1.403 150 I CB 0.061 38.055 38.000 -0.010 0.000 1.409 150 I HN 0.566 nan 8.210 nan 0.000 0.557 151 N N 6.400 125.118 118.700 0.029 0.000 2.895 151 N HA 0.128 4.869 4.740 0.001 0.000 0.277 151 N C 0.985 176.532 175.510 0.063 0.000 1.185 151 N CA 0.064 53.141 53.050 0.045 0.000 1.106 151 N CB -0.073 38.438 38.487 0.040 0.000 1.422 151 N HN 0.490 nan 8.380 nan 0.000 0.521 152 I N 0.303 120.913 120.570 0.067 0.000 2.226 152 I HA -0.165 4.005 4.170 0.001 0.000 0.245 152 I C 2.279 178.504 176.117 0.179 0.000 1.100 152 I CA 1.165 62.534 61.300 0.116 0.000 1.374 152 I CB -0.376 37.678 38.000 0.091 0.000 1.057 152 I HN 0.484 nan 8.210 nan 0.000 0.413 153 G N 0.744 109.612 108.800 0.113 0.000 2.446 153 G HA2 -0.209 3.752 3.960 0.001 0.000 0.217 153 G HA3 -0.209 3.752 3.960 0.001 0.000 0.217 153 G C 1.729 176.687 174.900 0.098 0.000 1.168 153 G CA 0.895 46.050 45.100 0.091 0.000 0.771 153 G HN 0.499 nan 8.290 nan 0.000 0.551 154 G N 0.594 109.452 108.800 0.096 0.000 2.422 154 G HA2 -0.102 3.858 3.960 0.001 0.000 0.218 154 G HA3 -0.102 3.858 3.960 0.001 0.000 0.218 154 G C 1.808 176.794 174.900 0.143 0.000 1.146 154 G CA 0.671 45.829 45.100 0.098 0.000 0.769 154 G HN 0.427 nan 8.290 nan 0.000 0.547 155 L N -0.299 121.032 121.223 0.179 0.000 2.056 155 L HA -0.070 4.271 4.340 0.001 0.000 0.207 155 L C 2.954 180.021 176.870 0.327 0.000 1.078 155 L CA 1.439 56.444 54.840 0.275 0.000 0.749 155 L CB -0.398 41.839 42.059 0.296 0.000 0.901 155 L HN 0.313 nan 8.230 nan 0.000 0.433 156 Q N 0.006 119.950 119.800 0.240 0.000 2.084 156 Q HA -0.294 4.047 4.340 0.001 0.000 0.202 156 Q C 2.249 178.219 176.000 -0.049 0.000 0.978 156 Q CA 1.841 57.583 55.803 -0.102 0.000 0.844 156 Q CB -0.059 28.579 28.738 -0.167 0.000 0.898 156 Q HN 0.460 nan 8.270 nan 0.000 0.426 157 Q N -0.594 119.228 119.800 0.037 0.000 2.050 157 Q HA -0.216 4.124 4.340 0.001 0.000 0.202 157 Q C 1.898 177.927 176.000 0.049 0.000 0.980 157 Q CA 1.643 57.471 55.803 0.041 0.000 0.840 157 Q CB -0.272 28.504 28.738 0.063 0.000 0.898 157 Q HN 0.485 nan 8.270 nan 0.000 0.424 158 F N 0.778 120.707 119.950 -0.034 0.000 2.069 158 F HA -0.172 4.356 4.527 0.001 0.000 0.298 158 F C 2.092 177.834 175.800 -0.096 0.000 1.113 158 F CA 1.750 59.699 58.000 -0.084 0.000 1.214 158 F CB -0.702 38.233 39.000 -0.108 0.000 0.978 158 F HN 0.160 nan 8.300 nan 0.000 0.474 159 A N -0.539 122.214 122.820 -0.111 0.000 1.902 159 A HA -0.172 4.149 4.320 0.001 0.000 0.217 159 A C 2.347 179.882 177.584 -0.082 0.000 1.181 159 A CA 2.094 54.051 52.037 -0.133 0.000 0.623 159 A CB -1.299 17.755 19.000 0.089 0.000 0.818 159 A HN 0.457 nan 8.150 nan 0.000 0.443 160 S N -0.302 115.391 115.700 -0.011 0.000 2.382 160 S HA -0.124 4.347 4.470 0.001 0.000 0.228 160 S C 1.873 176.486 174.600 0.022 0.000 1.027 160 S CA 1.208 59.506 58.200 0.162 0.000 0.991 160 S CB -0.260 63.088 63.200 0.246 0.000 0.823 160 S HN 0.587 nan 8.310 nan 0.000 0.469 161 E N 0.826 120.945 120.200 -0.136 0.000 2.106 161 E HA -0.071 4.280 4.350 0.001 0.000 0.192 161 E C 2.253 178.696 176.600 -0.261 0.000 0.984 161 E CA 0.790 57.053 56.400 -0.229 0.000 0.806 161 E CB -0.339 29.229 29.700 -0.220 0.000 0.750 161 E HN 0.332 nan 8.360 nan 0.000 0.458 162 V N 1.264 120.979 119.914 -0.333 0.000 2.358 162 V HA -0.226 3.895 4.120 0.001 0.000 0.246 162 V C 2.155 178.310 176.094 0.102 0.000 1.047 162 V CA 1.630 63.809 62.300 -0.201 0.000 1.035 162 V CB -0.599 31.018 31.823 -0.344 0.000 0.658 162 V HN 0.162 nan 8.190 nan 0.000 0.452 163 F N 1.557 121.494 119.950 -0.022 0.000 2.126 163 F HA -0.204 4.323 4.527 0.001 0.000 0.299 163 F C 2.450 178.214 175.800 -0.060 0.000 1.096 163 F CA 2.275 60.309 58.000 0.057 0.000 1.255 163 F CB -0.425 38.601 39.000 0.044 0.000 0.997 163 F HN 0.056 nan 8.300 nan 0.000 0.479 164 K N 0.375 120.491 120.400 -0.473 0.000 2.063 164 K HA -0.183 4.137 4.320 0.001 0.000 0.208 164 K C 2.186 178.481 176.600 -0.509 0.000 1.048 164 K CA 1.441 57.155 56.287 -0.956 0.000 0.928 164 K CB -0.516 31.231 32.500 -1.255 0.000 0.713 164 K HN 0.303 nan 8.250 nan 0.000 0.442 165 A N 0.944 123.632 122.820 -0.220 0.000 2.019 165 A HA -0.116 4.204 4.320 0.001 0.000 0.219 165 A C 2.025 179.664 177.584 0.093 0.000 1.164 165 A CA 1.483 53.538 52.037 0.031 0.000 0.644 165 A CB -0.445 18.700 19.000 0.242 0.000 0.805 165 A HN 0.394 nan 8.150 nan 0.000 0.449 166 M N -1.778 117.833 119.600 0.020 0.000 2.374 166 M HA -0.063 4.418 4.480 0.001 0.000 0.264 166 M C 0.618 176.787 176.300 -0.218 0.000 1.067 166 M CA 0.858 56.106 55.300 -0.087 0.000 1.103 166 M CB -0.356 32.249 32.600 0.008 0.000 1.402 166 M HN 0.471 nan 8.290 nan 0.000 0.444 167 N N 1.369 119.819 118.700 -0.418 0.000 2.727 167 N HA -0.148 4.592 4.740 0.001 0.000 0.251 167 N C -1.397 173.897 175.510 -0.360 0.000 1.040 167 N CA 0.420 53.132 53.050 -0.564 0.000 0.712 167 N CB -0.907 36.817 38.487 -1.272 0.000 0.912 167 N HN 0.341 nan 8.380 nan 0.000 0.545 168 I N 0.796 121.178 120.570 -0.314 0.000 2.412 168 I HA 0.471 4.642 4.170 0.001 0.000 0.296 168 I C -1.776 174.298 176.117 -0.072 0.000 0.987 168 I CA -1.879 59.352 61.300 -0.115 0.000 1.180 168 I CB 1.770 39.769 38.000 -0.001 0.000 1.340 168 I HN 0.033 nan 8.210 nan 0.000 0.455 169 P HA 0.174 nan 4.420 nan 0.000 0.281 169 P C -1.404 175.900 177.300 0.006 0.000 1.264 169 P CA -0.667 62.432 63.100 -0.002 0.000 0.824 169 P CB 1.185 32.871 31.700 -0.023 0.000 1.092 170 Q N 0.926 120.699 119.800 -0.045 0.000 2.259 170 Q HA 0.500 4.841 4.340 0.001 0.000 0.246 170 Q C -0.299 175.597 176.000 -0.174 0.000 0.920 170 Q CA -0.637 55.028 55.803 -0.230 0.000 0.895 170 Q CB 0.489 29.088 28.738 -0.232 0.000 1.220 170 Q HN 0.475 nan 8.270 nan 0.000 0.439 171 I N -1.012 119.436 120.570 -0.204 0.000 3.002 171 I HA 0.593 4.763 4.170 0.001 0.000 0.310 171 I C -0.498 175.540 176.117 -0.131 0.000 1.087 171 I CA -1.430 59.792 61.300 -0.129 0.000 1.017 171 I CB 1.833 39.774 38.000 -0.100 0.000 1.226 171 I HN 0.586 nan 8.210 nan 0.000 0.443 172 R N 2.383 122.813 120.500 -0.117 0.000 2.679 172 R HA 0.038 4.379 4.340 0.001 0.000 0.268 172 R C 0.151 176.336 176.300 -0.191 0.000 1.044 172 R CA -0.208 55.816 56.100 -0.126 0.000 1.105 172 R CB 0.328 30.558 30.300 -0.116 0.000 0.989 172 R HN 0.807 nan 8.270 nan 0.000 0.447 173 N N 3.953 122.524 118.700 -0.215 0.000 2.374 173 N HA -0.033 4.707 4.740 0.001 0.000 0.269 173 N C -1.977 173.299 175.510 -0.390 0.000 1.310 173 N CA -1.242 51.567 53.050 -0.401 0.000 0.877 173 N CB 1.032 39.362 38.487 -0.261 0.000 1.096 173 N HN 0.389 nan 8.380 nan 0.000 0.484 174 P HA -0.051 nan 4.420 nan 0.000 0.218 174 P C 0.661 177.821 177.300 -0.233 0.000 1.148 174 P CA 0.986 63.897 63.100 -0.315 0.000 0.822 174 P CB 0.216 31.728 31.700 -0.314 0.000 0.784 175 C N -1.730 117.417 119.300 -0.255 0.000 2.576 175 C HA 0.172 4.633 4.460 0.001 0.000 0.267 175 C C 1.214 176.119 174.990 -0.142 0.000 1.364 175 C CA -0.426 58.498 59.018 -0.156 0.000 1.723 175 C CB -1.748 25.922 27.740 -0.118 0.000 1.778 175 C HN 0.150 nan 8.230 nan 0.000 0.572 176 L N 1.619 122.736 121.223 -0.176 0.000 2.417 176 L HA 0.280 4.621 4.340 0.001 0.000 0.268 176 L C -1.890 174.885 176.870 -0.159 0.000 1.158 176 L CA -1.328 53.405 54.840 -0.178 0.000 0.819 176 L CB 0.357 42.288 42.059 -0.213 0.000 1.112 176 L HN -0.059 nan 8.230 nan 0.000 0.458 177 P HA 0.035 nan 4.420 nan 0.000 0.271 177 P C -0.751 176.469 177.300 -0.133 0.000 1.233 177 P CA -0.425 62.596 63.100 -0.131 0.000 0.789 177 P CB 0.470 32.090 31.700 -0.134 0.000 0.951 178 S N 0.581 116.220 115.700 -0.102 0.000 2.566 178 S HA -0.034 4.436 4.470 0.001 0.000 0.280 178 S C 1.213 175.753 174.600 -0.100 0.000 1.343 178 S CA -0.240 57.905 58.200 -0.091 0.000 1.036 178 S CB 0.179 63.339 63.200 -0.067 0.000 0.866 178 S HN 0.441 nan 8.310 nan 0.000 0.526 179 Q N 1.287 121.032 119.800 -0.091 0.000 2.133 179 Q HA -0.241 4.099 4.340 0.001 0.000 0.208 179 Q C 2.007 177.964 176.000 -0.070 0.000 0.991 179 Q CA 2.313 58.063 55.803 -0.087 0.000 0.867 179 Q CB -0.388 28.312 28.738 -0.064 0.000 0.911 179 Q HN 0.887 nan 8.270 nan 0.000 0.417 180 E N 0.476 120.643 120.200 -0.055 0.000 2.274 180 E HA -0.103 4.248 4.350 0.001 0.000 0.194 180 E C 1.289 177.864 176.600 -0.041 0.000 0.996 180 E CA 0.656 57.032 56.400 -0.040 0.000 0.840 180 E CB 0.079 29.761 29.700 -0.031 0.000 0.772 180 E HN 0.217 nan 8.360 nan 0.000 0.491 181 K N -0.039 120.327 120.400 -0.056 0.000 2.404 181 K HA 0.126 4.447 4.320 0.001 0.000 0.194 181 K C 0.153 176.712 176.600 -0.068 0.000 1.023 181 K CA -0.069 56.186 56.287 -0.054 0.000 1.094 181 K CB 0.346 32.812 32.500 -0.057 0.000 0.841 181 K HN 0.067 nan 8.250 nan 0.000 0.523 182 M N 1.827 121.371 119.600 -0.093 0.000 2.228 182 M HA 0.159 4.640 4.480 0.001 0.000 0.351 182 M C -2.171 174.119 176.300 -0.018 0.000 1.233 182 M CA -2.363 52.861 55.300 -0.126 0.000 1.129 182 M CB -0.389 32.089 32.600 -0.203 0.000 1.604 182 M HN -0.184 nan 8.290 nan 0.000 0.457 183 P HA -0.006 nan 4.420 nan 0.000 0.268 183 P C 0.722 178.057 177.300 0.059 0.000 1.208 183 P CA -0.020 63.135 63.100 0.092 0.000 0.777 183 P CB 0.459 32.250 31.700 0.153 0.000 0.875 184 E N 2.098 122.298 120.200 -0.001 0.000 2.130 184 E HA -0.299 4.052 4.350 0.001 0.000 0.196 184 E C 1.666 178.095 176.600 -0.284 0.000 0.998 184 E CA 1.533 57.909 56.400 -0.041 0.000 0.806 184 E CB -0.383 29.355 29.700 0.064 0.000 0.738 184 E HN 0.485 nan 8.360 nan 0.000 0.459 185 A N 0.226 122.693 122.820 -0.589 0.000 1.986 185 A HA -0.201 4.120 4.320 0.001 0.000 0.220 185 A C 1.679 178.825 177.584 -0.729 0.000 1.171 185 A CA 1.525 52.797 52.037 -1.275 0.000 0.640 185 A CB -0.950 17.452 19.000 -0.998 0.000 0.811 185 A HN 0.499 nan 8.150 nan 0.000 0.451 186 Y N 0.773 120.852 120.300 -0.370 0.000 2.632 186 Y HA -0.054 4.497 4.550 0.001 0.000 0.301 186 Y C 2.500 178.341 175.900 -0.097 0.000 1.172 186 Y CA 0.982 58.860 58.100 -0.371 0.000 1.328 186 Y CB -0.087 38.086 38.460 -0.478 0.000 1.016 186 Y HN 0.456 nan 8.280 nan 0.000 0.529 187 S N -0.981 114.723 115.700 0.007 0.000 2.556 187 S HA 0.387 4.858 4.470 0.001 0.000 0.216 187 S C 1.006 175.651 174.600 0.075 0.000 0.970 187 S CA -0.216 58.016 58.200 0.053 0.000 0.912 187 S CB -0.301 62.915 63.200 0.027 0.000 0.790 187 S HN 0.200 nan 8.310 nan 0.000 0.504 188 A N 2.270 125.132 122.820 0.070 0.000 2.567 188 A HA 0.229 4.549 4.320 0.001 0.000 0.240 188 A C 0.267 177.933 177.584 0.136 0.000 1.053 188 A CA -0.066 52.053 52.037 0.136 0.000 0.755 188 A CB -0.112 18.985 19.000 0.162 0.000 0.978 188 A HN 0.552 nan 8.150 nan 0.000 0.507 189 K N 2.048 122.495 120.400 0.077 0.000 2.412 189 K HA 0.315 4.636 4.320 0.001 0.000 0.284 189 K C -0.729 176.007 176.600 0.226 0.000 1.046 189 K CA 0.670 56.970 56.287 0.021 0.000 0.999 189 K CB 0.337 32.628 32.500 -0.348 0.000 0.941 189 K HN 0.592 nan 8.250 nan 0.000 0.474 190 I N 2.268 123.019 120.570 0.301 0.000 2.474 190 I HA 0.395 4.565 4.170 0.001 0.000 0.294 190 I C -0.355 176.035 176.117 0.456 0.000 1.005 190 I CA -0.799 60.709 61.300 0.346 0.000 1.113 190 I CB 1.994 40.079 38.000 0.141 0.000 1.289 190 I HN 0.589 nan 8.210 nan 0.000 0.436 191 A N 6.944 130.027 122.820 0.439 0.000 2.365 191 A HA 0.924 5.245 4.320 0.001 0.000 0.318 191 A C -1.233 176.519 177.584 0.279 0.000 1.091 191 A CA -0.430 51.816 52.037 0.349 0.000 0.763 191 A CB 1.214 20.282 19.000 0.113 0.000 1.248 191 A HN 0.562 nan 8.150 nan 0.000 0.442 192 L N 2.220 123.608 121.223 0.275 0.000 2.386 192 L HA 0.519 4.860 4.340 0.001 0.000 0.271 192 L C -0.875 176.155 176.870 0.268 0.000 0.993 192 L CA -0.343 54.665 54.840 0.280 0.000 0.819 192 L CB 1.945 44.153 42.059 0.248 0.000 1.294 192 L HN 0.474 nan 8.230 nan 0.000 0.414 193 L N 2.841 124.186 121.223 0.203 0.000 2.287 193 L HA 0.796 5.137 4.340 0.001 0.000 0.287 193 L C 0.464 177.406 176.870 0.119 0.000 1.022 193 L CA -0.217 54.711 54.840 0.147 0.000 0.814 193 L CB 0.554 42.643 42.059 0.049 0.000 1.217 193 L HN 0.772 nan 8.230 nan 0.000 0.420 194 G N 3.014 111.883 108.800 0.116 0.000 3.190 194 G HA2 0.093 4.054 3.960 0.001 0.000 0.686 194 G HA3 0.093 4.054 3.960 0.001 0.000 0.686 194 G C -0.160 174.803 174.900 0.106 0.000 1.033 194 G CA -0.340 44.815 45.100 0.091 0.000 0.797 194 G HN 0.985 nan 8.290 nan 0.000 0.567 195 A N 1.909 124.777 122.820 0.079 0.000 3.293 195 A HA 0.786 5.106 4.320 0.001 0.000 0.282 195 A C 1.221 178.860 177.584 0.092 0.000 1.394 195 A CA 1.051 53.135 52.037 0.077 0.000 1.118 195 A CB -0.220 18.810 19.000 0.051 0.000 1.133 195 A HN 2.109 nan 8.150 nan 0.000 0.627 196 G N -0.268 108.596 108.800 0.106 0.000 2.753 196 G HA2 0.518 4.479 3.960 0.001 0.000 0.285 196 G HA3 0.518 4.479 3.960 0.001 0.000 0.285 196 G C -1.673 173.287 174.900 0.099 0.000 1.344 196 G CA -1.491 43.672 45.100 0.105 0.000 1.050 196 G HN 0.090 nan 8.290 nan 0.000 0.532 197 P HA -0.174 nan 4.420 nan 0.000 0.216 197 P C 2.134 179.490 177.300 0.093 0.000 1.157 197 P CA 2.520 65.664 63.100 0.072 0.000 0.880 197 P CB 0.135 31.872 31.700 0.062 0.000 0.791 198 A N -0.900 122.007 122.820 0.145 0.000 1.865 198 A HA -0.205 4.116 4.320 0.001 0.000 0.217 198 A C 2.393 180.074 177.584 0.161 0.000 1.191 198 A CA 2.471 54.638 52.037 0.218 0.000 0.623 198 A CB -1.550 17.670 19.000 0.366 0.000 0.826 198 A HN 0.139 nan 8.150 nan 0.000 0.444 199 S N -0.368 115.479 115.700 0.246 0.000 2.383 199 S HA -0.046 4.425 4.470 0.001 0.000 0.227 199 S C 1.801 176.409 174.600 0.013 0.000 1.026 199 S CA 1.263 59.548 58.200 0.143 0.000 0.981 199 S CB -0.477 62.873 63.200 0.250 0.000 0.818 199 S HN 0.507 nan 8.310 nan 0.000 0.472 200 I N 0.989 121.583 120.570 0.039 0.000 2.226 200 I HA -0.191 3.980 4.170 0.001 0.000 0.245 200 I C 2.678 178.788 176.117 -0.011 0.000 1.100 200 I CA 1.135 62.441 61.300 0.009 0.000 1.374 200 I CB -0.382 37.628 38.000 0.016 0.000 1.057 200 I HN 0.294 nan 8.210 nan 0.000 0.413 201 S N -0.176 115.531 115.700 0.012 0.000 2.345 201 S HA -0.253 4.218 4.470 0.001 0.000 0.220 201 S C 2.328 176.996 174.600 0.114 0.000 1.031 201 S CA 1.699 59.944 58.200 0.075 0.000 0.996 201 S CB -0.582 62.699 63.200 0.134 0.000 0.882 201 S HN 0.621 nan 8.310 nan 0.000 0.445 202 C N 1.644 120.895 119.300 -0.083 0.000 2.413 202 C HA 0.018 4.479 4.460 0.001 0.000 0.277 202 C C 3.016 177.953 174.990 -0.089 0.000 1.228 202 C CA 1.323 60.211 59.018 -0.218 0.000 1.731 202 C CB -1.776 25.463 27.740 -0.836 0.000 2.042 202 C HN 0.684 nan 8.230 nan 0.000 0.468 203 A N -0.246 122.519 122.820 -0.092 0.000 1.933 203 A HA -0.117 4.204 4.320 0.001 0.000 0.218 203 A C 2.352 179.931 177.584 -0.009 0.000 1.175 203 A CA 2.376 54.393 52.037 -0.034 0.000 0.628 203 A CB -0.945 18.043 19.000 -0.020 0.000 0.814 203 A HN 0.663 nan 8.150 nan 0.000 0.444 204 S N -0.738 114.936 115.700 -0.043 0.000 2.348 204 S HA -0.117 4.353 4.470 0.001 0.000 0.221 204 S C 1.607 176.129 174.600 -0.129 0.000 1.033 204 S CA 1.608 59.736 58.200 -0.120 0.000 1.010 204 S CB -0.547 62.508 63.200 -0.242 0.000 0.891 204 S HN 0.551 nan 8.310 nan 0.000 0.442 205 F N 1.593 121.556 119.950 0.022 0.000 2.171 205 F HA 0.024 4.551 4.527 0.001 0.000 0.300 205 F C 2.014 177.849 175.800 0.059 0.000 1.090 205 F CA 0.653 58.680 58.000 0.044 0.000 1.293 205 F CB -0.596 38.422 39.000 0.030 0.000 1.013 205 F HN 0.117 nan 8.300 nan 0.000 0.486 206 L N -0.664 120.679 121.223 0.199 0.000 2.046 206 L HA -0.204 4.137 4.340 0.001 0.000 0.208 206 L C 2.699 179.730 176.870 0.268 0.000 1.077 206 L CA 1.137 56.093 54.840 0.194 0.000 0.747 206 L CB -0.996 41.082 42.059 0.032 0.000 0.896 206 L HN 0.138 nan 8.230 nan 0.000 0.432 207 A N 0.070 122.979 122.820 0.148 0.000 1.933 207 A HA -0.186 4.134 4.320 0.001 0.000 0.218 207 A C 2.369 179.995 177.584 0.069 0.000 1.175 207 A CA 1.286 53.387 52.037 0.107 0.000 0.628 207 A CB -0.431 18.593 19.000 0.040 0.000 0.814 207 A HN 0.318 nan 8.150 nan 0.000 0.444 208 R N -0.578 119.962 120.500 0.067 0.000 2.096 208 R HA -0.035 4.305 4.340 0.001 0.000 0.235 208 R C 1.784 178.112 176.300 0.047 0.000 1.127 208 R CA 1.352 57.487 56.100 0.057 0.000 0.968 208 R CB -0.509 29.854 30.300 0.104 0.000 0.861 208 R HN 0.492 nan 8.270 nan 0.000 0.440 209 L N -0.631 120.647 121.223 0.093 0.000 2.456 209 L HA -0.014 4.326 4.340 0.001 0.000 0.224 209 L C 1.373 178.167 176.870 -0.127 0.000 1.148 209 L CA 0.967 55.818 54.840 0.018 0.000 0.825 209 L CB -0.012 42.078 42.059 0.051 0.000 0.937 209 L HN 0.574 nan 8.230 nan 0.000 0.450 210 G N -2.296 106.442 108.800 -0.102 0.000 2.192 210 G HA2 -0.258 3.703 3.960 0.001 0.000 0.193 210 G HA3 -0.258 3.703 3.960 0.001 0.000 0.193 210 G C -0.042 174.769 174.900 -0.148 0.000 0.999 210 G CA -0.680 44.259 45.100 -0.268 0.000 0.659 210 G HN 0.146 nan 8.290 nan 0.000 0.503 211 Y N 2.117 122.520 120.300 0.170 0.000 2.544 211 Y HA 0.334 4.885 4.550 0.001 0.000 0.330 211 Y C 1.850 177.795 175.900 0.075 0.000 1.136 211 Y CA 0.863 59.062 58.100 0.165 0.000 1.417 211 Y CB 1.219 39.754 38.460 0.124 0.000 1.229 211 Y HN 0.259 nan 8.280 nan 0.000 0.532 212 S N -0.528 115.272 115.700 0.168 0.000 2.540 212 S HA 0.073 4.543 4.470 0.001 0.000 0.218 212 S C 0.069 174.725 174.600 0.093 0.000 0.977 212 S CA -0.154 58.101 58.200 0.092 0.000 0.918 212 S CB 0.247 63.471 63.200 0.041 0.000 0.806 212 S HN 0.656 nan 8.310 nan 0.000 0.496 213 D N 1.418 121.896 120.400 0.131 0.000 2.443 213 D HA 0.424 5.065 4.640 0.001 0.000 0.281 213 D C -1.190 175.187 176.300 0.128 0.000 1.210 213 D CA -0.302 53.760 54.000 0.104 0.000 0.875 213 D CB 0.236 41.087 40.800 0.084 0.000 1.125 213 D HN 0.339 nan 8.370 nan 0.000 0.503 214 I N 1.305 121.937 120.570 0.104 0.000 2.406 214 I HA 0.341 4.511 4.170 0.001 0.000 0.290 214 I C -0.085 176.058 176.117 0.043 0.000 0.999 214 I CA -0.435 60.923 61.300 0.097 0.000 1.124 214 I CB 2.260 40.306 38.000 0.076 0.000 1.289 214 I HN -0.061 nan 8.210 nan 0.000 0.441 215 T N 6.635 121.211 114.554 0.036 0.000 2.881 215 T HA 0.582 4.933 4.350 0.001 0.000 0.290 215 T C -0.276 174.258 174.700 -0.276 0.000 1.000 215 T CA -0.396 61.600 62.100 -0.173 0.000 0.978 215 T CB 1.568 70.259 68.868 -0.295 0.000 0.997 215 T HN 0.261 nan 8.240 nan 0.000 0.443 216 I N 3.256 123.648 120.570 -0.298 0.000 2.336 216 I HA 0.407 4.578 4.170 0.001 0.000 0.292 216 I C -0.869 175.058 176.117 -0.317 0.000 0.991 216 I CA -0.725 60.472 61.300 -0.173 0.000 1.227 216 I CB 0.903 38.874 38.000 -0.049 0.000 1.366 216 I HN 0.534 nan 8.210 nan 0.000 0.466 217 F N 4.581 124.548 119.950 0.029 0.000 2.385 217 F HA 0.342 4.869 4.527 0.001 0.000 0.360 217 F C 0.413 176.212 175.800 -0.001 0.000 1.122 217 F CA -0.647 57.357 58.000 0.007 0.000 1.090 217 F CB 1.036 40.028 39.000 -0.014 0.000 1.150 217 F HN 0.390 nan 8.300 nan 0.000 0.472 218 E N 3.306 123.576 120.200 0.116 0.000 2.166 218 E HA 0.241 4.592 4.350 0.001 0.000 0.275 218 E C 0.702 177.307 176.600 0.008 0.000 0.941 218 E CA -0.588 55.837 56.400 0.041 0.000 0.784 218 E CB 1.557 31.250 29.700 -0.011 0.000 1.115 218 E HN 0.533 nan 8.360 nan 0.000 0.399 219 K N 2.958 123.345 120.400 -0.021 0.000 2.026 219 K HA -0.080 4.241 4.320 0.001 0.000 0.208 219 K C 0.401 176.934 176.600 -0.112 0.000 1.048 219 K CA 1.005 57.265 56.287 -0.045 0.000 0.929 219 K CB 0.148 32.625 32.500 -0.038 0.000 0.713 219 K HN 0.541 nan 8.250 nan 0.000 0.439 220 Q N 0.539 120.197 119.800 -0.237 0.000 2.414 220 Q HA 0.019 4.360 4.340 0.001 0.000 0.206 220 Q C 0.934 176.730 176.000 -0.339 0.000 1.058 220 Q CA 0.208 55.762 55.803 -0.415 0.000 1.025 220 Q CB 0.656 28.776 28.738 -1.031 0.000 1.196 220 Q HN 0.235 nan 8.270 nan 0.000 0.586 221 E N 0.298 120.308 120.200 -0.317 0.000 2.442 221 E HA 0.007 4.358 4.350 0.001 0.000 0.195 221 E C 0.079 176.640 176.600 -0.065 0.000 1.030 221 E CA 0.282 56.609 56.400 -0.123 0.000 0.869 221 E CB 0.129 29.813 29.700 -0.027 0.000 0.857 221 E HN 0.455 nan 8.360 nan 0.000 0.505 222 Y N -0.590 119.712 120.300 0.003 0.000 2.528 222 Y HA 0.565 5.115 4.550 0.001 0.000 0.335 222 Y C 0.113 176.042 175.900 0.048 0.000 1.093 222 Y CA -1.952 56.158 58.100 0.017 0.000 1.134 222 Y CB 0.640 39.083 38.460 -0.029 0.000 1.253 222 Y HN -0.254 nan 8.280 nan 0.000 0.478 223 V N -1.632 118.466 119.914 0.307 0.000 3.019 223 V HA 0.970 5.091 4.120 0.001 0.000 0.317 223 V C 0.526 176.790 176.094 0.283 0.000 1.094 223 V CA -0.435 61.995 62.300 0.217 0.000 1.000 223 V CB 0.928 32.825 31.823 0.123 0.000 1.060 223 V HN 1.738 nan 8.190 nan 0.000 0.443 224 G N -0.633 108.282 108.800 0.191 0.000 2.231 224 G HA2 0.276 4.237 3.960 0.001 0.000 0.206 224 G HA3 0.276 4.237 3.960 0.001 0.000 0.206 224 G C 1.510 176.503 174.900 0.155 0.000 0.996 224 G CA 0.506 45.703 45.100 0.161 0.000 0.645 224 G HN 2.836 nan 8.290 nan 0.000 0.498 225 G N 0.062 108.979 108.800 0.196 0.000 2.566 225 G HA2 -0.235 3.726 3.960 0.001 0.000 0.280 225 G HA3 -0.235 3.726 3.960 0.001 0.000 0.280 225 G C 1.135 176.123 174.900 0.147 0.000 1.225 225 G CA 0.586 45.787 45.100 0.168 0.000 0.966 225 G HN 1.196 nan 8.290 nan 0.000 0.560 226 L N 0.649 121.930 121.223 0.096 0.000 2.131 226 L HA -0.089 4.252 4.340 0.001 0.000 0.210 226 L C 3.195 180.084 176.870 0.030 0.000 1.092 226 L CA 1.896 56.770 54.840 0.055 0.000 0.759 226 L CB -0.594 41.492 42.059 0.045 0.000 0.903 226 L HN 0.550 nan 8.230 nan 0.000 0.435 227 S N -0.931 114.797 115.700 0.047 0.000 2.400 227 S HA -0.176 4.294 4.470 0.001 0.000 0.232 227 S C 1.945 176.571 174.600 0.042 0.000 1.025 227 S CA 1.870 60.093 58.200 0.038 0.000 0.993 227 S CB -0.199 63.031 63.200 0.049 0.000 0.808 227 S HN 0.485 nan 8.310 nan 0.000 0.478 228 T N 1.244 115.833 114.554 0.059 0.000 2.988 228 T HA 0.017 4.368 4.350 0.001 0.000 0.240 228 T C 2.319 176.910 174.700 -0.181 0.000 1.014 228 T CA 1.087 63.203 62.100 0.027 0.000 1.155 228 T CB -0.274 68.665 68.868 0.118 0.000 0.872 228 T HN 0.585 nan 8.240 nan 0.000 0.440 229 S N 1.157 116.745 115.700 -0.187 0.000 2.428 229 S HA 0.074 4.544 4.470 0.001 0.000 0.230 229 S C 1.597 176.093 174.600 -0.173 0.000 1.014 229 S CA 0.811 58.851 58.200 -0.268 0.000 0.957 229 S CB -0.096 63.042 63.200 -0.102 0.000 0.784 229 S HN 0.539 nan 8.310 nan 0.000 0.499 230 E N -0.067 120.068 120.200 -0.108 0.000 2.475 230 E HA 0.356 4.707 4.350 0.001 0.000 0.205 230 E C -0.175 176.359 176.600 -0.110 0.000 0.822 230 E CA -0.254 56.085 56.400 -0.101 0.000 1.240 230 E CB 0.338 30.011 29.700 -0.046 0.000 1.222 230 E HN 0.404 nan 8.360 nan 0.000 0.581 231 I N 4.835 125.354 120.570 -0.085 0.000 2.662 231 I HA 0.010 4.180 4.170 0.001 0.000 0.285 231 I C -2.268 173.736 176.117 -0.189 0.000 1.161 231 I CA -1.570 59.670 61.300 -0.101 0.000 1.415 231 I CB -0.048 37.919 38.000 -0.055 0.000 1.385 231 I HN -0.189 nan 8.210 nan 0.000 0.552 232 P HA -0.070 nan 4.420 nan 0.000 0.266 232 P C 0.250 177.266 177.300 -0.473 0.000 1.195 232 P CA -0.050 62.688 63.100 -0.604 0.000 0.768 232 P CB 0.568 31.421 31.700 -1.411 0.000 0.838 233 Q N 3.268 122.889 119.800 -0.299 0.000 2.181 233 Q HA -0.179 4.162 4.340 0.001 0.000 0.205 233 Q C 1.207 177.238 176.000 0.052 0.000 0.980 233 Q CA 1.947 57.707 55.803 -0.072 0.000 0.862 233 Q CB -0.917 27.797 28.738 -0.039 0.000 0.905 233 Q HN 0.585 nan 8.270 nan 0.000 0.429 234 F N -2.035 118.045 119.950 0.216 0.000 2.802 234 F HA 0.295 4.823 4.527 0.001 0.000 0.300 234 F C 1.513 177.371 175.800 0.096 0.000 1.168 234 F CA 0.162 58.252 58.000 0.151 0.000 1.433 234 F CB -0.072 38.993 39.000 0.108 0.000 1.115 234 F HN -0.035 nan 8.300 nan 0.000 0.582 235 R N -0.247 120.298 120.500 0.075 0.000 2.243 235 R HA 0.347 4.687 4.340 0.001 0.000 0.193 235 R C -0.565 175.762 176.300 0.044 0.000 0.933 235 R CA -0.065 56.090 56.100 0.092 0.000 1.105 235 R CB 0.343 30.666 30.300 0.038 0.000 1.169 235 R HN 0.224 nan 8.270 nan 0.000 0.599 236 L N 2.601 123.822 121.223 -0.004 0.000 2.442 236 L HA 0.481 4.822 4.340 0.001 0.000 0.261 236 L C -2.869 174.015 176.870 0.024 0.000 1.000 236 L CA -2.216 52.631 54.840 0.013 0.000 0.882 236 L CB 1.681 43.739 42.059 -0.000 0.000 1.207 236 L HN -0.188 nan 8.230 nan 0.000 0.443 237 P HA 0.010 nan 4.420 nan 0.000 0.265 237 P C -0.079 177.262 177.300 0.070 0.000 1.193 237 P CA 0.162 63.300 63.100 0.062 0.000 0.765 237 P CB 0.314 32.046 31.700 0.053 0.000 0.823 238 Y N 4.443 124.727 120.300 -0.025 0.000 2.256 238 Y HA -0.265 4.286 4.550 0.001 0.000 0.288 238 Y C 1.833 177.741 175.900 0.014 0.000 1.155 238 Y CA 2.168 60.253 58.100 -0.024 0.000 1.203 238 Y CB -0.536 37.890 38.460 -0.055 0.000 0.980 238 Y HN 0.400 nan 8.280 nan 0.000 0.530 239 D N -0.974 119.368 120.400 -0.097 0.000 2.263 239 D HA -0.152 4.489 4.640 0.001 0.000 0.208 239 D C 2.017 178.256 176.300 -0.101 0.000 0.971 239 D CA 1.274 55.192 54.000 -0.137 0.000 0.867 239 D CB -0.865 39.919 40.800 -0.026 0.000 0.929 239 D HN 0.348 nan 8.370 nan 0.000 0.492 240 V N 0.577 120.457 119.914 -0.056 0.000 2.307 240 V HA -0.205 3.915 4.120 0.001 0.000 0.245 240 V C 2.883 179.008 176.094 0.051 0.000 1.045 240 V CA 1.200 63.531 62.300 0.052 0.000 1.024 240 V CB -0.254 31.601 31.823 0.053 0.000 0.651 240 V HN 0.122 nan 8.190 nan 0.000 0.449 241 V N 0.777 120.628 119.914 -0.106 0.000 2.295 241 V HA -0.305 3.815 4.120 0.001 0.000 0.246 241 V C 2.374 178.361 176.094 -0.179 0.000 1.049 241 V CA 2.450 64.670 62.300 -0.134 0.000 1.024 241 V CB -0.961 30.757 31.823 -0.175 0.000 0.648 241 V HN 0.685 nan 8.190 nan 0.000 0.447 242 N N -0.163 118.326 118.700 -0.352 0.000 2.149 242 N HA -0.233 4.508 4.740 0.001 0.000 0.188 242 N C 2.014 177.489 175.510 -0.059 0.000 1.019 242 N CA 1.876 54.785 53.050 -0.235 0.000 0.857 242 N CB -0.174 38.134 38.487 -0.299 0.000 0.997 242 N HN 0.484 nan 8.380 nan 0.000 0.426 243 F N 2.154 122.020 119.950 -0.141 0.000 2.095 243 F HA -0.110 4.417 4.527 0.001 0.000 0.298 243 F C 2.105 177.882 175.800 -0.038 0.000 1.104 243 F CA 1.577 59.523 58.000 -0.091 0.000 1.232 243 F CB -0.528 38.424 39.000 -0.080 0.000 0.987 243 F HN 0.078 nan 8.300 nan 0.000 0.475 244 E N 0.137 120.142 120.200 -0.325 0.000 2.150 244 E HA -0.168 4.183 4.350 0.001 0.000 0.193 244 E C 2.355 178.832 176.600 -0.206 0.000 0.985 244 E CA 1.087 57.280 56.400 -0.345 0.000 0.814 244 E CB -0.113 29.540 29.700 -0.078 0.000 0.752 244 E HN 0.382 nan 8.360 nan 0.000 0.466 245 I N 1.547 122.038 120.570 -0.131 0.000 2.252 245 I HA -0.195 3.976 4.170 0.001 0.000 0.245 245 I C 2.190 178.253 176.117 -0.089 0.000 1.102 245 I CA 1.244 62.495 61.300 -0.080 0.000 1.385 245 I CB -0.824 37.149 38.000 -0.045 0.000 1.064 245 I HN 0.095 nan 8.210 nan 0.000 0.414 246 E N 0.741 120.877 120.200 -0.108 0.000 2.150 246 E HA -0.134 4.217 4.350 0.001 0.000 0.193 246 E C 2.427 178.961 176.600 -0.109 0.000 0.985 246 E CA 0.750 57.098 56.400 -0.087 0.000 0.814 246 E CB -0.247 29.416 29.700 -0.062 0.000 0.752 246 E HN 0.473 nan 8.360 nan 0.000 0.466 247 L N 0.341 121.449 121.223 -0.191 0.000 2.046 247 L HA -0.129 4.212 4.340 0.001 0.000 0.208 247 L C 2.685 179.518 176.870 -0.062 0.000 1.077 247 L CA 1.022 55.777 54.840 -0.142 0.000 0.747 247 L CB -0.323 41.597 42.059 -0.233 0.000 0.896 247 L HN 0.184 nan 8.230 nan 0.000 0.432 248 M N -0.119 119.438 119.600 -0.071 0.000 2.132 248 M HA -0.233 4.248 4.480 0.001 0.000 0.263 248 M C 2.139 178.415 176.300 -0.040 0.000 1.065 248 M CA 1.773 57.045 55.300 -0.046 0.000 1.122 248 M CB -0.038 32.533 32.600 -0.048 0.000 1.365 248 M HN 0.059 nan 8.290 nan 0.000 0.411 249 K N 0.111 120.485 120.400 -0.044 0.000 2.280 249 K HA -0.145 4.176 4.320 0.001 0.000 0.202 249 K C 1.257 177.837 176.600 -0.033 0.000 1.047 249 K CA 1.179 57.446 56.287 -0.034 0.000 0.942 249 K CB -0.197 32.284 32.500 -0.031 0.000 0.739 249 K HN 0.413 nan 8.250 nan 0.000 0.457 250 D N 0.925 121.301 120.400 -0.041 0.000 2.263 250 D HA -0.117 4.524 4.640 0.001 0.000 0.208 250 D C 1.365 177.640 176.300 -0.043 0.000 0.971 250 D CA 0.950 54.925 54.000 -0.042 0.000 0.867 250 D CB 0.107 40.877 40.800 -0.050 0.000 0.929 250 D HN 0.209 nan 8.370 nan 0.000 0.492 251 L N -0.872 120.327 121.223 -0.039 0.000 2.611 251 L HA 0.204 4.544 4.340 0.001 0.000 0.229 251 L C 1.512 178.370 176.870 -0.020 0.000 1.137 251 L CA 0.290 55.109 54.840 -0.035 0.000 0.901 251 L CB 0.133 42.172 42.059 -0.033 0.000 1.098 251 L HN 0.091 nan 8.230 nan 0.000 0.456 252 G N -0.258 108.532 108.800 -0.018 0.000 2.176 252 G HA2 -0.248 3.713 3.960 0.001 0.000 0.232 252 G HA3 -0.248 3.713 3.960 0.001 0.000 0.232 252 G C 0.311 175.210 174.900 -0.002 0.000 0.986 252 G CA -0.052 45.043 45.100 -0.008 0.000 0.643 252 G HN 0.073 nan 8.290 nan 0.000 0.522 253 V N 1.455 121.366 119.914 -0.006 0.000 2.599 253 V HA 0.307 4.428 4.120 0.001 0.000 0.300 253 V C 0.835 176.915 176.094 -0.023 0.000 1.034 253 V CA 0.572 62.867 62.300 -0.008 0.000 1.115 253 V CB 1.100 32.915 31.823 -0.013 0.000 0.934 253 V HN 0.371 nan 8.190 nan 0.000 0.485 254 K N 5.373 125.751 120.400 -0.036 0.000 2.138 254 K HA 0.711 5.032 4.320 0.001 0.000 0.263 254 K C -0.894 175.643 176.600 -0.105 0.000 0.965 254 K CA -0.505 55.747 56.287 -0.059 0.000 0.868 254 K CB 1.923 34.388 32.500 -0.058 0.000 1.083 254 K HN 0.503 nan 8.250 nan 0.000 0.443 255 I N 3.832 124.346 120.570 -0.094 0.000 2.466 255 I HA 0.371 4.542 4.170 0.001 0.000 0.289 255 I C -0.682 175.373 176.117 -0.103 0.000 1.026 255 I CA -0.726 60.509 61.300 -0.109 0.000 1.078 255 I CB 1.554 39.525 38.000 -0.049 0.000 1.249 255 I HN 0.409 nan 8.210 nan 0.000 0.429 256 I N 5.355 125.835 120.570 -0.149 0.000 2.382 256 I HA 0.346 4.517 4.170 0.001 0.000 0.285 256 I C -0.240 175.884 176.117 0.011 0.000 1.007 256 I CA -0.383 60.882 61.300 -0.058 0.000 1.142 256 I CB 1.513 39.485 38.000 -0.047 0.000 1.289 256 I HN 0.559 nan 8.210 nan 0.000 0.453 257 C N 3.591 122.898 119.300 0.013 0.000 2.422 257 C HA 0.619 5.080 4.460 0.001 0.000 0.364 257 C C 1.504 176.507 174.990 0.021 0.000 1.251 257 C CA 0.475 59.495 59.018 0.004 0.000 2.441 257 C CB 0.736 28.462 27.740 -0.022 0.000 2.393 257 C HN 1.101 nan 8.230 nan 0.000 0.606 258 G N 1.466 110.264 108.800 -0.004 0.000 2.143 258 G HA2 -0.166 3.795 3.960 0.001 0.000 0.248 258 G HA3 -0.166 3.795 3.960 0.001 0.000 0.248 258 G C -0.356 174.564 174.900 0.033 0.000 0.991 258 G CA 0.001 45.104 45.100 0.004 0.000 0.689 258 G HN 0.601 nan 8.290 nan 0.000 0.522 259 K N 0.737 121.176 120.400 0.064 0.000 2.413 259 K HA 0.651 4.972 4.320 0.001 0.000 0.257 259 K C -0.451 176.180 176.600 0.052 0.000 0.946 259 K CA -0.414 55.923 56.287 0.084 0.000 0.823 259 K CB 1.863 34.497 32.500 0.224 0.000 1.109 259 K HN 0.137 nan 8.250 nan 0.000 0.427 260 S N 1.824 117.526 115.700 0.004 0.000 2.537 260 S HA 0.399 4.870 4.470 0.001 0.000 0.301 260 S C -0.583 173.994 174.600 -0.038 0.000 1.092 260 S CA -0.817 57.378 58.200 -0.008 0.000 1.048 260 S CB 1.456 64.650 63.200 -0.010 0.000 1.053 260 S HN 0.483 nan 8.310 nan 0.000 0.501 261 L N 3.200 124.404 121.223 -0.031 0.000 2.342 261 L HA 0.671 5.011 4.340 0.001 0.000 0.285 261 L C -0.178 176.675 176.870 -0.029 0.000 1.095 261 L CA 0.839 55.651 54.840 -0.047 0.000 0.843 261 L CB -0.024 42.014 42.059 -0.035 0.000 1.201 261 L HN 0.612 nan 8.230 nan 0.000 0.445 262 S N 2.816 118.496 115.700 -0.034 0.000 2.565 262 S HA 0.341 4.811 4.470 0.001 0.000 0.274 262 S C -1.197 173.389 174.600 -0.023 0.000 1.144 262 S CA -0.795 57.392 58.200 -0.021 0.000 0.849 262 S CB 1.048 64.239 63.200 -0.016 0.000 1.103 262 S HN 0.690 nan 8.310 nan 0.000 0.455 263 E N 1.836 122.025 120.200 -0.018 0.000 2.452 263 E HA 0.274 4.625 4.350 0.001 0.000 0.261 263 E C 0.756 177.347 176.600 -0.016 0.000 0.987 263 E CA 1.522 57.912 56.400 -0.017 0.000 0.926 263 E CB 0.162 29.853 29.700 -0.016 0.000 0.934 263 E HN 0.721 nan 8.360 nan 0.000 0.452 264 N N 1.260 119.951 118.700 -0.015 0.000 2.980 264 N HA -0.202 4.538 4.740 0.001 0.000 0.219 264 N C -0.460 175.039 175.510 -0.018 0.000 0.883 264 N CA 1.990 55.032 53.050 -0.013 0.000 1.018 264 N CB -0.707 37.774 38.487 -0.010 0.000 1.041 264 N HN 0.656 nan 8.380 nan 0.000 0.592 265 E N -0.662 119.521 120.200 -0.028 0.000 4.403 265 E HA 0.463 4.813 4.350 0.001 0.000 0.229 265 E C -0.215 176.345 176.600 -0.067 0.000 1.038 265 E CA -0.607 55.769 56.400 -0.040 0.000 1.122 265 E CB 0.539 30.216 29.700 -0.037 0.000 2.128 265 E HN 0.095 nan 8.360 nan 0.000 0.460 266 I N 2.290 122.800 120.570 -0.101 0.000 2.365 266 I HA 0.195 4.366 4.170 0.001 0.000 0.291 266 I C 0.076 176.130 176.117 -0.104 0.000 1.004 266 I CA -0.112 61.094 61.300 -0.157 0.000 1.311 266 I CB 1.148 38.974 38.000 -0.290 0.000 1.401 266 I HN 0.433 nan 8.210 nan 0.000 0.491 267 T N 2.620 117.128 114.554 -0.076 0.000 2.865 267 T HA 0.474 4.825 4.350 0.001 0.000 0.294 267 T C 0.849 175.557 174.700 0.013 0.000 1.119 267 T CA -0.894 61.190 62.100 -0.028 0.000 1.007 267 T CB 1.410 70.277 68.868 -0.002 0.000 1.225 267 T HN 0.402 nan 8.240 nan 0.000 0.515 268 L N 0.774 122.030 121.223 0.055 0.000 2.131 268 L HA -0.076 4.265 4.340 0.001 0.000 0.210 268 L C 2.522 179.579 176.870 0.311 0.000 1.092 268 L CA 1.096 56.046 54.840 0.184 0.000 0.759 268 L CB -0.616 41.507 42.059 0.106 0.000 0.903 268 L HN 0.656 nan 8.230 nan 0.000 0.435 269 N N -0.320 118.483 118.700 0.171 0.000 2.142 269 N HA -0.144 4.597 4.740 0.001 0.000 0.186 269 N C 2.002 177.565 175.510 0.088 0.000 1.023 269 N CA 2.031 55.159 53.050 0.129 0.000 0.852 269 N CB -0.469 38.064 38.487 0.077 0.000 0.998 269 N HN 0.445 nan 8.380 nan 0.000 0.424 270 T N -0.539 114.051 114.554 0.059 0.000 2.821 270 T HA 0.023 4.374 4.350 0.001 0.000 0.267 270 T C 2.203 176.943 174.700 0.067 0.000 1.046 270 T CA 0.583 62.705 62.100 0.037 0.000 1.139 270 T CB -0.508 68.356 68.868 -0.006 0.000 0.871 270 T HN 0.060 nan 8.240 nan 0.000 0.454 271 L N 0.674 121.944 121.223 0.079 0.000 2.017 271 L HA -0.006 4.334 4.340 0.001 0.000 0.208 271 L C 3.027 180.043 176.870 0.243 0.000 1.073 271 L CA 1.742 56.660 54.840 0.130 0.000 0.745 271 L CB -0.514 41.594 42.059 0.082 0.000 0.894 271 L HN 0.287 nan 8.230 nan 0.000 0.432 272 K N 0.440 120.903 120.400 0.105 0.000 2.057 272 K HA -0.270 4.051 4.320 0.001 0.000 0.207 272 K C 2.053 178.616 176.600 -0.062 0.000 1.049 272 K CA 1.752 57.926 56.287 -0.188 0.000 0.931 272 K CB 0.025 32.322 32.500 -0.338 0.000 0.714 272 K HN 0.093 nan 8.250 nan 0.000 0.440 273 E N 1.194 121.398 120.200 0.007 0.000 2.118 273 E HA -0.192 4.159 4.350 0.001 0.000 0.195 273 E C 1.082 177.706 176.600 0.040 0.000 0.992 273 E CA 1.721 58.129 56.400 0.014 0.000 0.804 273 E CB 0.034 29.751 29.700 0.027 0.000 0.741 273 E HN 0.406 nan 8.360 nan 0.000 0.458 274 E N -1.401 118.866 120.200 0.111 0.000 2.502 274 E HA 0.100 4.451 4.350 0.001 0.000 0.194 274 E C 0.757 177.394 176.600 0.062 0.000 1.062 274 E CA 0.364 56.846 56.400 0.138 0.000 0.867 274 E CB 0.169 30.041 29.700 0.286 0.000 0.888 274 E HN 0.471 nan 8.360 nan 0.000 0.510 275 G N 0.726 109.549 108.800 0.038 0.000 2.176 275 G HA2 -0.279 3.682 3.960 0.001 0.000 0.232 275 G HA3 -0.279 3.682 3.960 0.001 0.000 0.232 275 G C -0.213 174.653 174.900 -0.058 0.000 0.986 275 G CA -0.378 44.695 45.100 -0.045 0.000 0.643 275 G HN 0.227 nan 8.290 nan 0.000 0.522 276 Y N 1.059 121.391 120.300 0.053 0.000 2.526 276 Y HA 0.373 4.924 4.550 0.001 0.000 0.330 276 Y C 1.788 177.755 175.900 0.111 0.000 1.156 276 Y CA 0.289 58.473 58.100 0.140 0.000 1.419 276 Y CB 0.817 39.423 38.460 0.243 0.000 1.250 276 Y HN -0.073 nan 8.280 nan 0.000 0.540 277 K N 2.047 122.631 120.400 0.306 0.000 2.314 277 K HA 0.359 4.680 4.320 0.001 0.000 0.198 277 K C 0.129 177.065 176.600 0.559 0.000 1.045 277 K CA 0.533 57.006 56.287 0.311 0.000 0.988 277 K CB 0.329 33.001 32.500 0.287 0.000 0.783 277 K HN 0.598 nan 8.250 nan 0.000 0.484 278 A N 0.251 123.443 122.820 0.620 0.000 2.604 278 A HA 0.741 5.062 4.320 0.001 0.000 0.295 278 A C -1.668 176.225 177.584 0.516 0.000 1.067 278 A CA -0.437 51.989 52.037 0.649 0.000 0.683 278 A CB 1.656 20.912 19.000 0.426 0.000 1.281 278 A HN 0.051 nan 8.150 nan 0.000 0.407 279 A N 0.483 123.496 122.820 0.322 0.000 2.449 279 A HA 0.789 5.110 4.320 0.001 0.000 0.302 279 A C -1.510 176.176 177.584 0.168 0.000 1.048 279 A CA -0.380 51.754 52.037 0.162 0.000 0.708 279 A CB 1.012 19.966 19.000 -0.078 0.000 1.274 279 A HN 1.763 nan 8.150 nan 0.000 0.410 280 F N 3.837 123.815 119.950 0.047 0.000 2.449 280 F HA 0.626 5.153 4.527 0.001 0.000 0.342 280 F C -0.842 174.972 175.800 0.024 0.000 1.127 280 F CA -1.194 56.838 58.000 0.052 0.000 0.975 280 F CB 1.082 40.111 39.000 0.049 0.000 1.146 280 F HN 0.372 nan 8.300 nan 0.000 0.444 281 I N 5.843 126.013 120.570 -0.667 0.000 2.301 281 I HA 0.309 4.479 4.170 0.001 0.000 0.292 281 I C 0.793 176.490 176.117 -0.701 0.000 1.046 281 I CA -0.356 60.645 61.300 -0.499 0.000 1.282 281 I CB 0.444 38.226 38.000 -0.364 0.000 1.409 281 I HN 0.861 nan 8.210 nan 0.000 0.484 282 G N 6.320 114.944 108.800 -0.293 0.000 4.864 282 G HA2 0.317 4.277 3.960 0.001 0.000 0.280 282 G HA3 0.317 4.277 3.960 0.001 0.000 0.280 282 G C 0.801 175.712 174.900 0.019 0.000 1.239 282 G CA -0.190 44.863 45.100 -0.077 0.000 0.951 282 G HN 0.700 nan 8.290 nan 0.000 0.583 283 I N -2.056 118.498 120.570 -0.027 0.000 3.564 283 I HA 0.414 4.585 4.170 0.001 0.000 0.294 283 I C 1.257 177.386 176.117 0.021 0.000 1.289 283 I CA 0.284 61.590 61.300 0.010 0.000 1.325 283 I CB -0.195 37.805 38.000 -0.000 0.000 1.039 283 I HN 0.300 nan 8.210 nan 0.000 0.474 284 G N 2.689 111.497 108.800 0.015 0.000 2.575 284 G HA2 -0.273 3.688 3.960 0.001 0.000 0.267 284 G HA3 -0.273 3.688 3.960 0.001 0.000 0.267 284 G C -0.357 174.559 174.900 0.026 0.000 1.264 284 G CA 0.196 45.312 45.100 0.026 0.000 0.935 284 G HN 0.376 nan 8.290 nan 0.000 0.568 285 L N 1.403 122.648 121.223 0.036 0.000 2.356 285 L HA 0.329 4.670 4.340 0.001 0.000 0.264 285 L C -1.584 175.315 176.870 0.048 0.000 1.029 285 L CA -1.615 53.251 54.840 0.042 0.000 0.897 285 L CB 2.092 44.175 42.059 0.041 0.000 1.256 285 L HN 0.307 nan 8.230 nan 0.000 0.444 286 P HA -0.112 nan 4.420 nan 0.000 0.219 286 P C -0.139 177.192 177.300 0.052 0.000 1.146 286 P CA 1.211 64.340 63.100 0.048 0.000 0.808 286 P CB 0.368 32.093 31.700 0.041 0.000 0.779 287 E N -0.394 119.839 120.200 0.055 0.000 2.244 287 E HA 0.342 4.693 4.350 0.001 0.000 0.266 287 E C -2.507 174.132 176.600 0.066 0.000 0.914 287 E CA -2.768 53.667 56.400 0.059 0.000 0.794 287 E CB 1.151 30.886 29.700 0.059 0.000 1.210 287 E HN 0.055 nan 8.360 nan 0.000 0.414 288 P HA 0.048 nan 4.420 nan 0.000 0.278 288 P C -1.032 176.334 177.300 0.110 0.000 1.238 288 P CA -0.405 62.742 63.100 0.079 0.000 0.794 288 P CB 0.846 32.583 31.700 0.061 0.000 0.955 289 K N 1.964 122.449 120.400 0.142 0.000 2.339 289 K HA 0.223 4.544 4.320 0.001 0.000 0.286 289 K C 0.211 176.966 176.600 0.259 0.000 1.050 289 K CA -0.126 56.275 56.287 0.189 0.000 0.956 289 K CB 0.203 32.836 32.500 0.222 0.000 0.990 289 K HN 0.518 nan 8.250 nan 0.000 0.475 290 T N 0.422 115.119 114.554 0.239 0.000 2.936 290 T HA 0.344 4.694 4.350 0.001 0.000 0.282 290 T C -0.656 174.242 174.700 0.329 0.000 1.003 290 T CA -0.929 61.343 62.100 0.287 0.000 1.005 290 T CB 1.633 70.622 68.868 0.201 0.000 1.097 290 T HN 0.539 nan 8.240 nan 0.000 0.532 291 D N -1.396 119.217 120.400 0.356 0.000 2.879 291 D HA 0.289 4.930 4.640 0.001 0.000 0.236 291 D C 0.367 176.669 176.300 0.003 0.000 1.171 291 D CA -0.642 53.479 54.000 0.201 0.000 0.868 291 D CB 2.204 43.187 40.800 0.305 0.000 1.598 291 D HN 0.630 nan 8.370 nan 0.000 0.497 292 D N 1.927 122.292 120.400 -0.059 0.000 2.190 292 D HA -0.186 4.454 4.640 0.001 0.000 0.200 292 D C 1.940 178.120 176.300 -0.201 0.000 0.992 292 D CA 1.783 55.724 54.000 -0.098 0.000 0.854 292 D CB -0.012 40.740 40.800 -0.080 0.000 0.936 292 D HN 0.642 nan 8.370 nan 0.000 0.462 293 I N -2.678 117.667 120.570 -0.375 0.000 2.756 293 I HA -0.115 4.055 4.170 0.001 0.000 0.262 293 I C 0.617 176.409 176.117 -0.543 0.000 1.225 293 I CA 0.871 61.873 61.300 -0.496 0.000 1.472 293 I CB -0.320 37.289 38.000 -0.652 0.000 1.094 293 I HN -0.124 nan 8.210 nan 0.000 0.454 294 F N 2.116 121.913 119.950 -0.255 0.000 2.695 294 F HA 0.223 4.751 4.527 0.001 0.000 0.303 294 F C 1.221 176.769 175.800 -0.421 0.000 1.091 294 F CA -1.094 56.580 58.000 -0.544 0.000 1.300 294 F CB -0.810 37.661 39.000 -0.882 0.000 1.071 294 F HN 0.234 nan 8.300 nan 0.000 0.578 295 Q N 0.136 119.876 119.800 -0.101 0.000 2.286 295 Q HA 0.340 4.681 4.340 0.001 0.000 0.290 295 Q C 1.250 177.209 176.000 -0.069 0.000 1.049 295 Q CA 0.810 56.576 55.803 -0.061 0.000 0.923 295 Q CB 0.511 29.221 28.738 -0.046 0.000 1.183 295 Q HN 0.438 nan 8.270 nan 0.000 0.383 296 G N 2.361 111.138 108.800 -0.039 0.000 2.267 296 G HA2 -0.297 3.663 3.960 0.001 0.000 0.257 296 G HA3 -0.297 3.663 3.960 0.001 0.000 0.257 296 G C 0.102 174.981 174.900 -0.035 0.000 0.998 296 G CA 0.157 45.239 45.100 -0.031 0.000 0.620 296 G HN 0.586 nan 8.290 nan 0.000 0.529 297 L N 2.153 123.329 121.223 -0.079 0.000 2.453 297 L HA 0.491 4.832 4.340 0.001 0.000 0.272 297 L C 1.358 178.259 176.870 0.052 0.000 1.182 297 L CA 0.554 55.359 54.840 -0.059 0.000 0.858 297 L CB 0.808 42.728 42.059 -0.231 0.000 1.120 297 L HN 0.473 nan 8.230 nan 0.000 0.474 298 T N -1.206 113.369 114.554 0.034 0.000 2.949 298 T HA 0.266 4.617 4.350 0.001 0.000 0.287 298 T C 0.572 175.218 174.700 -0.089 0.000 1.034 298 T CA -0.797 61.301 62.100 -0.004 0.000 1.018 298 T CB 1.672 70.525 68.868 -0.025 0.000 1.135 298 T HN 0.590 nan 8.240 nan 0.000 0.532 299 Q N -0.110 119.554 119.800 -0.226 0.000 2.119 299 Q HA -0.108 4.233 4.340 0.001 0.000 0.201 299 Q C 1.542 177.391 176.000 -0.251 0.000 0.972 299 Q CA 1.519 57.024 55.803 -0.497 0.000 0.847 299 Q CB -0.086 28.332 28.738 -0.533 0.000 0.903 299 Q HN 0.663 nan 8.270 nan 0.000 0.433 300 D N 0.592 120.923 120.400 -0.116 0.000 2.178 300 D HA -0.158 4.483 4.640 0.001 0.000 0.201 300 D C 1.598 177.883 176.300 -0.025 0.000 0.980 300 D CA 1.136 55.109 54.000 -0.045 0.000 0.842 300 D CB 0.018 40.804 40.800 -0.023 0.000 0.948 300 D HN 0.368 nan 8.370 nan 0.000 0.472 301 Q N -0.801 118.982 119.800 -0.029 0.000 2.378 301 Q HA 0.131 4.472 4.340 0.001 0.000 0.205 301 Q C 1.169 177.179 176.000 0.016 0.000 0.954 301 Q CA 0.810 56.614 55.803 0.000 0.000 0.901 301 Q CB 0.621 29.363 28.738 0.008 0.000 0.981 301 Q HN 0.334 nan 8.270 nan 0.000 0.483 302 G N 0.405 109.199 108.800 -0.011 0.000 2.175 302 G HA2 -0.229 3.731 3.960 0.001 0.000 0.182 302 G HA3 -0.229 3.731 3.960 0.001 0.000 0.182 302 G C -0.524 174.413 174.900 0.062 0.000 1.003 302 G CA -0.482 44.645 45.100 0.045 0.000 0.666 302 G HN 0.271 nan 8.290 nan 0.000 0.506 303 F N 1.736 121.564 119.950 -0.204 0.000 2.421 303 F HA 0.820 5.348 4.527 0.001 0.000 0.337 303 F C -0.552 175.040 175.800 -0.347 0.000 1.105 303 F CA -1.488 56.387 58.000 -0.209 0.000 1.049 303 F CB 0.934 39.813 39.000 -0.202 0.000 1.139 303 F HN 0.046 nan 8.300 nan 0.000 0.479 304 Y N 1.659 121.143 120.300 -1.360 0.000 2.562 304 Y HA 0.469 5.019 4.550 0.001 0.000 0.345 304 Y C 0.038 175.199 175.900 -1.232 0.000 1.045 304 Y CA -1.144 56.366 58.100 -0.983 0.000 1.028 304 Y CB 1.931 40.108 38.460 -0.471 0.000 1.297 304 Y HN 0.667 nan 8.280 nan 0.000 0.463 305 T N -2.881 111.368 114.554 -0.509 0.000 2.944 305 T HA 0.304 4.654 4.350 0.001 0.000 0.284 305 T C 1.073 175.683 174.700 -0.150 0.000 1.010 305 T CA -0.123 61.766 62.100 -0.352 0.000 1.025 305 T CB 1.455 70.245 68.868 -0.130 0.000 1.079 305 T HN 0.728 nan 8.240 nan 0.000 0.516 306 S N 0.729 116.362 115.700 -0.112 0.000 2.400 306 S HA -0.145 4.326 4.470 0.001 0.000 0.232 306 S C 1.712 176.329 174.600 0.028 0.000 1.025 306 S CA 0.498 58.693 58.200 -0.008 0.000 0.993 306 S CB -0.562 62.633 63.200 -0.008 0.000 0.808 306 S HN 0.655 nan 8.310 nan 0.000 0.478 307 K N 1.166 121.574 120.400 0.013 0.000 2.283 307 K HA -0.004 4.317 4.320 0.001 0.000 0.202 307 K C 1.178 177.802 176.600 0.041 0.000 1.048 307 K CA 1.090 57.394 56.287 0.028 0.000 0.948 307 K CB -0.285 32.236 32.500 0.035 0.000 0.742 307 K HN 0.576 nan 8.250 nan 0.000 0.458 308 D N -0.423 120.014 120.400 0.062 0.000 2.269 308 D HA -0.069 4.572 4.640 0.001 0.000 0.220 308 D C 1.741 178.150 176.300 0.181 0.000 0.962 308 D CA 0.443 54.513 54.000 0.115 0.000 0.884 308 D CB -0.249 40.629 40.800 0.130 0.000 1.023 308 D HN 0.027 nan 8.370 nan 0.000 0.484 309 F N 2.242 122.196 119.950 0.005 0.000 2.060 309 F HA -0.064 4.464 4.527 0.001 0.000 0.295 309 F C 2.267 177.997 175.800 -0.117 0.000 1.120 309 F CA 1.108 59.027 58.000 -0.135 0.000 1.205 309 F CB -0.619 38.180 39.000 -0.335 0.000 0.986 309 F HN -0.186 nan 8.300 nan 0.000 0.470 310 L N 0.190 121.268 121.223 -0.242 0.000 2.042 310 L HA -0.193 4.147 4.340 0.001 0.000 0.210 310 L C -0.468 176.221 176.870 -0.301 0.000 1.076 310 L CA 1.599 56.232 54.840 -0.346 0.000 0.749 310 L CB -2.123 39.853 42.059 -0.138 0.000 0.893 310 L HN 0.152 nan 8.230 nan 0.000 0.432 311 P HA -0.153 nan 4.420 nan 0.000 0.218 311 P C 1.903 179.081 177.300 -0.204 0.000 1.149 311 P CA 1.213 64.204 63.100 -0.181 0.000 0.817 311 P CB 0.111 31.762 31.700 -0.082 0.000 0.785 312 L N -1.306 119.801 121.223 -0.193 0.000 2.027 312 L HA -0.139 4.202 4.340 0.001 0.000 0.206 312 L C 2.275 179.005 176.870 -0.232 0.000 1.074 312 L CA 1.360 56.102 54.840 -0.163 0.000 0.745 312 L CB -1.015 40.991 42.059 -0.087 0.000 0.898 312 L HN -0.123 nan 8.230 nan 0.000 0.433 313 V N -0.068 119.626 119.914 -0.367 0.000 2.358 313 V HA -0.255 3.865 4.120 0.001 0.000 0.246 313 V C 2.730 178.653 176.094 -0.286 0.000 1.047 313 V CA 1.696 63.810 62.300 -0.311 0.000 1.035 313 V CB -0.953 30.628 31.823 -0.404 0.000 0.658 313 V HN 0.464 nan 8.190 nan 0.000 0.452 314 A N -0.098 122.538 122.820 -0.307 0.000 1.877 314 A HA -0.236 4.084 4.320 0.001 0.000 0.216 314 A C 2.302 179.677 177.584 -0.348 0.000 1.186 314 A CA 1.959 53.801 52.037 -0.325 0.000 0.620 314 A CB -0.467 18.340 19.000 -0.322 0.000 0.822 314 A HN 0.517 nan 8.150 nan 0.000 0.443 315 K N -0.446 119.766 120.400 -0.313 0.000 2.209 315 K HA -0.098 4.223 4.320 0.001 0.000 0.204 315 K C 2.311 178.762 176.600 -0.249 0.000 1.048 315 K CA 1.314 57.428 56.287 -0.289 0.000 0.940 315 K CB -0.128 32.243 32.500 -0.214 0.000 0.729 315 K HN 0.481 nan 8.250 nan 0.000 0.451 316 S N 0.370 115.933 115.700 -0.229 0.000 2.425 316 S HA -0.057 4.414 4.470 0.001 0.000 0.225 316 S C 1.819 176.257 174.600 -0.270 0.000 1.024 316 S CA 1.287 59.374 58.200 -0.188 0.000 0.951 316 S CB 0.069 63.191 63.200 -0.129 0.000 0.796 316 S HN 0.358 nan 8.310 nan 0.000 0.498 317 S N -0.127 115.310 115.700 -0.439 0.000 2.517 317 S HA 0.338 4.809 4.470 0.001 0.000 0.214 317 S C 0.313 174.651 174.600 -0.438 0.000 0.991 317 S CA -0.419 57.379 58.200 -0.669 0.000 0.906 317 S CB -0.098 62.213 63.200 -1.481 0.000 0.789 317 S HN 0.331 nan 8.310 nan 0.000 0.513 318 K N 2.621 122.810 120.400 -0.351 0.000 2.354 318 K HA 0.570 4.891 4.320 0.001 0.000 0.257 318 K C -0.628 175.805 176.600 -0.278 0.000 1.062 318 K CA -0.315 55.799 56.287 -0.288 0.000 0.971 318 K CB 1.273 33.541 32.500 -0.386 0.000 1.305 318 K HN 0.319 nan 8.250 nan 0.000 0.449 319 A N 1.739 124.488 122.820 -0.119 0.000 2.522 319 A HA 0.393 4.713 4.320 0.001 0.000 0.256 319 A C 1.300 178.861 177.584 -0.038 0.000 1.086 319 A CA 1.025 53.031 52.037 -0.052 0.000 0.763 319 A CB -0.405 18.636 19.000 0.069 0.000 1.024 319 A HN 0.981 nan 8.150 nan 0.000 0.502 320 G N 1.842 110.571 108.800 -0.119 0.000 2.238 320 G HA2 -0.309 3.652 3.960 0.001 0.000 0.217 320 G HA3 -0.309 3.652 3.960 0.001 0.000 0.217 320 G C 1.039 175.804 174.900 -0.226 0.000 0.996 320 G CA 0.710 45.785 45.100 -0.042 0.000 0.632 320 G HN 0.910 nan 8.290 nan 0.000 0.503 321 M N 0.245 119.483 119.600 -0.603 0.000 2.081 321 M HA 0.211 4.692 4.480 0.001 0.000 0.261 321 M C 1.579 177.706 176.300 -0.288 0.000 1.075 321 M CA 1.842 56.725 55.300 -0.696 0.000 1.133 321 M CB -0.115 31.964 32.600 -0.869 0.000 1.330 321 M HN 0.504 nan 8.290 nan 0.000 0.414 322 C N 0.630 119.764 119.300 -0.277 0.000 2.366 322 C HA 0.668 5.129 4.460 0.001 0.000 0.345 322 C C 1.791 176.672 174.990 -0.181 0.000 1.209 322 C CA -0.290 58.630 59.018 -0.163 0.000 2.050 322 C CB 1.097 28.734 27.740 -0.172 0.000 2.359 322 C HN 0.634 nan 8.230 nan 0.000 0.527 323 A N 2.340 125.099 122.820 -0.102 0.000 2.066 323 A HA 0.106 4.427 4.320 0.001 0.000 0.218 323 A C 0.867 178.370 177.584 -0.135 0.000 1.157 323 A CA 0.900 52.878 52.037 -0.098 0.000 0.670 323 A CB -0.420 18.560 19.000 -0.035 0.000 0.804 323 A HN 0.852 nan 8.150 nan 0.000 0.453 324 C N 0.256 119.476 119.300 -0.133 0.000 2.329 324 C HA 0.619 5.080 4.460 0.001 0.000 0.329 324 C C 0.009 174.900 174.990 -0.164 0.000 1.275 324 C CA -0.918 58.047 59.018 -0.089 0.000 1.726 324 C CB -0.187 27.538 27.740 -0.025 0.000 2.291 324 C HN 0.626 nan 8.230 nan 0.000 0.514 325 H N 1.023 120.064 119.070 -0.048 0.000 2.547 325 H HA 0.579 5.136 4.556 0.001 0.000 0.362 325 H C 0.412 175.714 175.328 -0.044 0.000 1.181 325 H CA 0.522 56.538 56.048 -0.055 0.000 1.376 325 H CB 0.784 30.516 29.762 -0.050 0.000 1.488 325 H HN 0.796 nan 8.280 nan 0.000 0.583 326 S N 1.075 116.814 115.700 0.066 0.000 2.558 326 S HA 0.392 4.863 4.470 0.001 0.000 0.277 326 S C -3.175 171.436 174.600 0.018 0.000 1.143 326 S CA -1.429 56.789 58.200 0.030 0.000 0.865 326 S CB 1.962 65.160 63.200 -0.003 0.000 1.102 326 S HN 0.461 nan 8.310 nan 0.000 0.454 327 P HA 0.425 nan 4.420 nan 0.000 0.276 327 P C -0.447 176.872 177.300 0.032 0.000 1.261 327 P CA -0.733 62.388 63.100 0.036 0.000 0.800 327 P CB 0.564 32.290 31.700 0.044 0.000 1.066 328 L N 0.945 122.201 121.223 0.055 0.000 2.452 328 L HA 0.220 4.561 4.340 0.001 0.000 0.267 328 L C -1.764 175.150 176.870 0.074 0.000 1.188 328 L CA -1.719 53.161 54.840 0.067 0.000 0.821 328 L CB -0.703 41.436 42.059 0.133 0.000 1.102 328 L HN 0.272 nan 8.230 nan 0.000 0.470 329 P HA -0.040 nan 4.420 nan 0.000 0.266 329 P C -0.632 176.743 177.300 0.125 0.000 1.195 329 P CA -0.012 63.162 63.100 0.123 0.000 0.768 329 P CB 0.613 32.409 31.700 0.160 0.000 0.838 330 S N 3.626 119.399 115.700 0.122 0.000 2.681 330 S HA 0.248 4.719 4.470 0.001 0.000 0.313 330 S C -0.106 174.552 174.600 0.096 0.000 1.137 330 S CA -0.530 57.728 58.200 0.097 0.000 1.045 330 S CB -1.059 62.190 63.200 0.081 0.000 1.208 330 S HN 0.146 nan 8.310 nan 0.000 0.523 331 I N 6.603 127.219 120.570 0.076 0.000 2.330 331 I HA 0.461 4.632 4.170 0.001 0.000 0.286 331 I C 0.281 176.412 176.117 0.023 0.000 1.025 331 I CA -0.356 60.965 61.300 0.036 0.000 1.197 331 I CB 0.656 38.654 38.000 -0.003 0.000 1.358 331 I HN 0.452 nan 8.210 nan 0.000 0.467 332 R N 3.841 124.355 120.500 0.024 0.000 2.670 332 R HA 0.764 5.105 4.340 0.001 0.000 0.289 332 R C 0.331 176.638 176.300 0.011 0.000 0.965 332 R CA -0.421 55.689 56.100 0.017 0.000 0.899 332 R CB 2.345 32.660 30.300 0.025 0.000 1.173 332 R HN 0.855 nan 8.270 nan 0.000 0.456 333 G N 1.067 109.869 108.800 0.004 0.000 2.482 333 G HA2 -0.111 3.850 3.960 0.001 0.000 0.214 333 G HA3 -0.111 3.850 3.960 0.001 0.000 0.214 333 G C -1.070 173.838 174.900 0.012 0.000 1.271 333 G CA -0.374 44.732 45.100 0.010 0.000 0.944 333 G HN 0.763 nan 8.290 nan 0.000 0.568 334 A N -0.825 122.023 122.820 0.046 0.000 2.328 334 A HA 0.702 5.023 4.320 0.001 0.000 0.284 334 A C 0.149 177.783 177.584 0.083 0.000 1.160 334 A CA 0.206 52.308 52.037 0.108 0.000 0.818 334 A CB 1.096 20.216 19.000 0.201 0.000 1.087 334 A HN 1.800 nan 8.150 nan 0.000 0.504 335 V N 4.184 124.146 119.914 0.079 0.000 2.459 335 V HA 0.379 4.500 4.120 0.001 0.000 0.295 335 V C -0.181 175.962 176.094 0.083 0.000 1.029 335 V CA -0.265 62.041 62.300 0.010 0.000 0.874 335 V CB 1.538 33.298 31.823 -0.105 0.000 0.985 335 V HN 0.756 nan 8.190 nan 0.000 0.438 336 I N 4.820 125.413 120.570 0.038 0.000 2.362 336 I HA 0.432 4.602 4.170 0.001 0.000 0.289 336 I C -0.649 175.453 176.117 -0.025 0.000 0.994 336 I CA -0.659 60.682 61.300 0.069 0.000 1.158 336 I CB 1.913 39.979 38.000 0.111 0.000 1.315 336 I HN 0.272 nan 8.210 nan 0.000 0.451 337 V N 7.686 127.571 119.914 -0.050 0.000 2.370 337 V HA 0.391 4.512 4.120 0.001 0.000 0.283 337 V C 0.031 176.102 176.094 -0.038 0.000 1.023 337 V CA -0.552 61.679 62.300 -0.115 0.000 0.857 337 V CB 1.713 33.428 31.823 -0.180 0.000 0.985 337 V HN 0.472 nan 8.190 nan 0.000 0.443 338 L N 5.213 126.438 121.223 0.004 0.000 2.272 338 L HA 0.912 5.253 4.340 0.001 0.000 0.289 338 L C 0.654 177.671 176.870 0.246 0.000 1.032 338 L CA 0.040 54.998 54.840 0.197 0.000 0.810 338 L CB 1.188 43.469 42.059 0.371 0.000 1.205 338 L HN 0.920 nan 8.230 nan 0.000 0.422 339 G N 2.382 111.323 108.800 0.234 0.000 2.357 339 G HA2 0.283 4.244 3.960 0.001 0.000 0.643 339 G HA3 0.283 4.244 3.960 0.001 0.000 0.643 339 G C -0.715 174.196 174.900 0.018 0.000 1.358 339 G CA -0.194 45.014 45.100 0.181 0.000 0.986 339 G HN 0.763 nan 8.290 nan 0.000 0.620 340 A N -0.395 122.411 122.820 -0.023 0.000 2.568 340 A HA 0.795 5.116 4.320 0.001 0.000 0.287 340 A C 0.970 178.627 177.584 0.121 0.000 0.967 340 A CA 1.265 53.248 52.037 -0.091 0.000 1.004 340 A CB -0.028 18.800 19.000 -0.286 0.000 1.233 340 A HN 2.172 nan 8.150 nan 0.000 0.513 341 G N -0.953 107.909 108.800 0.104 0.000 2.568 341 G HA2 0.421 4.382 3.960 0.001 0.000 0.293 341 G HA3 0.421 4.382 3.960 0.001 0.000 0.293 341 G C 0.093 175.157 174.900 0.274 0.000 1.347 341 G CA -0.042 45.150 45.100 0.154 0.000 1.039 341 G HN 0.017 nan 8.290 nan 0.000 0.523 342 D N -0.393 120.122 120.400 0.192 0.000 2.133 342 D HA -0.121 4.520 4.640 0.001 0.000 0.195 342 D C 2.627 179.049 176.300 0.203 0.000 0.997 342 D CA 1.890 56.011 54.000 0.201 0.000 0.840 342 D CB -0.476 40.384 40.800 0.101 0.000 0.947 342 D HN 0.318 nan 8.370 nan 0.000 0.452 343 T N 0.728 115.357 114.554 0.124 0.000 2.720 343 T HA -0.148 4.203 4.350 0.001 0.000 0.268 343 T C 2.027 176.760 174.700 0.054 0.000 1.037 343 T CA 1.642 63.791 62.100 0.082 0.000 1.144 343 T CB -0.377 68.524 68.868 0.055 0.000 0.864 343 T HN 0.237 nan 8.240 nan 0.000 0.444 344 A N 0.979 123.796 122.820 -0.005 0.000 1.908 344 A HA -0.053 4.267 4.320 0.001 0.000 0.218 344 A C 1.971 179.406 177.584 -0.248 0.000 1.181 344 A CA 1.524 53.455 52.037 -0.177 0.000 0.627 344 A CB -1.031 17.773 19.000 -0.328 0.000 0.818 344 A HN 0.507 nan 8.150 nan 0.000 0.445 345 F N 0.269 120.239 119.950 0.034 0.000 2.234 345 F HA -0.094 4.433 4.527 0.001 0.000 0.299 345 F C 2.021 177.874 175.800 0.087 0.000 1.087 345 F CA 1.329 59.358 58.000 0.047 0.000 1.340 345 F CB -0.236 38.801 39.000 0.063 0.000 1.031 345 F HN 0.179 nan 8.300 nan 0.000 0.500 346 D N -0.690 119.853 120.400 0.238 0.000 2.224 346 D HA -0.107 4.534 4.640 0.001 0.000 0.205 346 D C 2.289 178.714 176.300 0.208 0.000 0.965 346 D CA 0.892 55.021 54.000 0.214 0.000 0.852 346 D CB -0.448 40.424 40.800 0.120 0.000 0.947 346 D HN 0.257 nan 8.370 nan 0.000 0.494 347 C N 0.910 120.302 119.300 0.152 0.000 2.440 347 C HA 0.025 4.486 4.460 0.001 0.000 0.278 347 C C 2.872 177.944 174.990 0.137 0.000 1.295 347 C CA 0.701 59.840 59.018 0.201 0.000 1.738 347 C CB -0.816 26.952 27.740 0.046 0.000 1.987 347 C HN 0.350 nan 8.230 nan 0.000 0.492 348 A N 1.333 124.172 122.820 0.033 0.000 1.858 348 A HA -0.196 4.125 4.320 0.001 0.000 0.216 348 A C 2.300 179.917 177.584 0.055 0.000 1.190 348 A CA 2.739 54.764 52.037 -0.020 0.000 0.617 348 A CB -1.304 17.639 19.000 -0.095 0.000 0.827 348 A HN 0.658 nan 8.150 nan 0.000 0.443 349 T N -2.716 111.919 114.554 0.136 0.000 2.821 349 T HA -0.102 4.249 4.350 0.001 0.000 0.267 349 T C 1.998 176.792 174.700 0.157 0.000 1.046 349 T CA 1.797 63.960 62.100 0.106 0.000 1.139 349 T CB -0.585 68.379 68.868 0.160 0.000 0.871 349 T HN 0.259 nan 8.240 nan 0.000 0.454 350 S N 1.737 117.650 115.700 0.355 0.000 2.402 350 S HA 0.174 4.644 4.470 0.001 0.000 0.229 350 S C 2.602 177.388 174.600 0.311 0.000 1.021 350 S CA 0.785 59.211 58.200 0.375 0.000 0.974 350 S CB -0.734 62.638 63.200 0.286 0.000 0.800 350 S HN 0.753 nan 8.310 nan 0.000 0.484 351 A N 1.508 124.507 122.820 0.299 0.000 1.933 351 A HA -0.018 4.302 4.320 0.001 0.000 0.218 351 A C 2.042 179.668 177.584 0.070 0.000 1.175 351 A CA 1.080 53.222 52.037 0.176 0.000 0.628 351 A CB -0.672 18.291 19.000 -0.063 0.000 0.814 351 A HN 0.469 nan 8.150 nan 0.000 0.444 352 L N -1.519 119.716 121.223 0.020 0.000 2.083 352 L HA -0.159 4.182 4.340 0.001 0.000 0.209 352 L C 2.716 179.557 176.870 -0.049 0.000 1.083 352 L CA 1.246 56.068 54.840 -0.029 0.000 0.752 352 L CB -0.370 41.655 42.059 -0.056 0.000 0.899 352 L HN 0.213 nan 8.230 nan 0.000 0.433 353 R N -0.763 119.693 120.500 -0.074 0.000 2.189 353 R HA -0.063 4.278 4.340 0.001 0.000 0.223 353 R C 2.009 178.311 176.300 0.004 0.000 1.092 353 R CA 0.914 56.921 56.100 -0.155 0.000 0.989 353 R CB -0.872 29.193 30.300 -0.392 0.000 0.876 353 R HN 0.331 nan 8.270 nan 0.000 0.457 354 C N -0.943 118.406 119.300 0.080 0.000 2.626 354 C HA 0.377 4.838 4.460 0.001 0.000 0.266 354 C C 1.440 176.471 174.990 0.068 0.000 1.317 354 C CA 0.485 59.571 59.018 0.113 0.000 1.716 354 C CB -0.788 27.060 27.740 0.180 0.000 1.819 354 C HN 0.729 nan 8.230 nan 0.000 0.578 355 G N 0.200 109.020 108.800 0.034 0.000 2.163 355 G HA2 -0.000 3.960 3.960 0.001 0.000 0.213 355 G HA3 -0.000 3.960 3.960 0.001 0.000 0.213 355 G C 0.165 175.066 174.900 0.001 0.000 0.991 355 G CA 0.041 45.152 45.100 0.019 0.000 0.653 355 G HN 0.870 nan 8.290 nan 0.000 0.518 356 A N 0.206 123.019 122.820 -0.011 0.000 2.540 356 A HA 0.567 4.888 4.320 0.001 0.000 0.239 356 A C 1.406 178.952 177.584 -0.064 0.000 1.061 356 A CA 1.380 53.394 52.037 -0.039 0.000 0.758 356 A CB 0.173 19.137 19.000 -0.060 0.000 0.991 356 A HN 0.799 nan 8.150 nan 0.000 0.502 357 R N 1.224 121.683 120.500 -0.068 0.000 2.093 357 R HA 0.051 4.392 4.340 0.001 0.000 0.224 357 R C 0.806 176.992 176.300 -0.189 0.000 1.101 357 R CA 1.299 57.339 56.100 -0.102 0.000 0.979 357 R CB 0.099 30.364 30.300 -0.059 0.000 0.877 357 R HN 0.780 nan 8.270 nan 0.000 0.441 358 R N -0.325 120.078 120.500 -0.162 0.000 2.643 358 R HA 0.348 4.689 4.340 0.001 0.000 0.269 358 R C -2.006 174.144 176.300 -0.251 0.000 1.037 358 R CA -0.687 55.255 56.100 -0.263 0.000 0.894 358 R CB 2.402 32.552 30.300 -0.250 0.000 1.238 358 R HN -0.002 nan 8.270 nan 0.000 0.459 359 V N 4.088 123.776 119.914 -0.377 0.000 2.588 359 V HA 0.560 4.681 4.120 0.001 0.000 0.304 359 V C -1.141 174.677 176.094 -0.461 0.000 1.042 359 V CA -0.619 61.508 62.300 -0.288 0.000 0.877 359 V CB 1.692 33.401 31.823 -0.191 0.000 0.996 359 V HN 0.557 nan 8.190 nan 0.000 0.425 360 F N 4.479 124.348 119.950 -0.136 0.000 2.449 360 F HA 0.603 5.130 4.527 0.001 0.000 0.342 360 F C -0.044 175.622 175.800 -0.224 0.000 1.127 360 F CA -0.564 57.340 58.000 -0.159 0.000 0.975 360 F CB 1.600 40.527 39.000 -0.122 0.000 1.146 360 F HN 0.200 nan 8.300 nan 0.000 0.444 361 L N 4.814 125.928 121.223 -0.181 0.000 2.255 361 L HA 0.553 4.894 4.340 0.001 0.000 0.289 361 L C -0.837 175.895 176.870 -0.229 0.000 1.046 361 L CA -0.669 54.010 54.840 -0.268 0.000 0.816 361 L CB 1.050 42.771 42.059 -0.564 0.000 1.197 361 L HN 0.329 nan 8.230 nan 0.000 0.427 362 V N 4.486 124.295 119.914 -0.176 0.000 2.409 362 V HA 0.492 4.612 4.120 0.001 0.000 0.291 362 V C -0.358 175.630 176.094 -0.177 0.000 1.020 362 V CA -0.587 61.507 62.300 -0.344 0.000 0.848 362 V CB 1.085 32.729 31.823 -0.299 0.000 0.990 362 V HN 0.471 nan 8.190 nan 0.000 0.430 363 F N 2.245 122.113 119.950 -0.136 0.000 2.577 363 F HA 0.682 5.210 4.527 0.001 0.000 0.318 363 F C 1.054 176.756 175.800 -0.163 0.000 1.065 363 F CA -1.456 56.459 58.000 -0.142 0.000 0.929 363 F CB 1.514 40.389 39.000 -0.208 0.000 1.237 363 F HN 0.457 nan 8.300 nan 0.000 0.468 364 R N 0.281 120.794 120.500 0.021 0.000 2.307 364 R HA 0.293 4.633 4.340 0.001 0.000 0.199 364 R C -0.273 175.904 176.300 -0.205 0.000 1.000 364 R CA 0.431 56.493 56.100 -0.063 0.000 1.023 364 R CB -0.084 30.161 30.300 -0.091 0.000 0.908 364 R HN 0.647 nan 8.270 nan 0.000 0.473 365 K N 0.038 120.253 120.400 -0.309 0.000 2.296 365 K HA 0.463 4.784 4.320 0.001 0.000 0.243 365 K C 0.024 176.210 176.600 -0.691 0.000 1.082 365 K CA -0.710 55.193 56.287 -0.639 0.000 0.929 365 K CB 1.171 33.175 32.500 -0.827 0.000 1.353 365 K HN 0.101 nan 8.250 nan 0.000 0.536 366 G N -0.215 108.178 108.800 -0.679 0.000 2.535 366 G HA2 0.230 4.191 3.960 0.001 0.000 0.303 366 G HA3 0.230 4.191 3.960 0.001 0.000 0.303 366 G C 0.109 174.970 174.900 -0.066 0.000 1.237 366 G CA -0.355 44.428 45.100 -0.529 0.000 0.986 366 G HN 0.401 nan 8.290 nan 0.000 0.494 367 F N -0.088 119.937 119.950 0.125 0.000 2.126 367 F HA -0.138 4.390 4.527 0.001 0.000 0.299 367 F C 2.968 178.754 175.800 -0.023 0.000 1.096 367 F CA 1.826 59.860 58.000 0.058 0.000 1.255 367 F CB -0.445 38.633 39.000 0.130 0.000 0.997 367 F HN 0.168 nan 8.300 nan 0.000 0.479 368 V N -1.660 118.386 119.914 0.220 0.000 2.720 368 V HA -0.245 3.876 4.120 0.001 0.000 0.256 368 V C 1.113 177.238 176.094 0.051 0.000 1.082 368 V CA 2.156 64.537 62.300 0.135 0.000 1.101 368 V CB -1.282 30.641 31.823 0.166 0.000 0.693 368 V HN 0.330 nan 8.190 nan 0.000 0.479 369 N N 0.179 118.877 118.700 -0.004 0.000 2.336 369 N HA 0.325 5.065 4.740 0.001 0.000 0.189 369 N C 0.342 175.746 175.510 -0.176 0.000 1.113 369 N CA -0.046 52.964 53.050 -0.066 0.000 0.858 369 N CB -0.139 38.301 38.487 -0.078 0.000 0.970 369 N HN 0.473 nan 8.380 nan 0.000 0.471 370 I N 1.387 121.811 120.570 -0.243 0.000 2.775 370 I HA -0.125 4.045 4.170 0.001 0.000 0.290 370 I C 1.358 177.405 176.117 -0.117 0.000 1.203 370 I CA 0.354 61.500 61.300 -0.257 0.000 1.433 370 I CB 0.735 38.594 38.000 -0.235 0.000 1.354 370 I HN 0.174 nan 8.210 nan 0.000 0.579 371 R N 4.353 124.812 120.500 -0.069 0.000 2.100 371 R HA 0.133 4.474 4.340 0.001 0.000 0.220 371 R C 0.844 177.129 176.300 -0.025 0.000 1.091 371 R CA 0.524 56.602 56.100 -0.036 0.000 0.986 371 R CB -0.108 30.180 30.300 -0.021 0.000 0.888 371 R HN 0.756 nan 8.270 nan 0.000 0.444 372 A N 1.665 124.484 122.820 -0.003 0.000 2.425 372 A HA 0.274 4.595 4.320 0.001 0.000 0.242 372 A C 0.657 178.156 177.584 -0.141 0.000 1.077 372 A CA -0.452 51.544 52.037 -0.069 0.000 0.781 372 A CB 0.205 19.129 19.000 -0.127 0.000 1.020 372 A HN 0.137 nan 8.150 nan 0.000 0.494 373 V N -0.079 119.764 119.914 -0.118 0.000 2.999 373 V HA 0.155 4.275 4.120 0.001 0.000 0.307 373 V C -1.697 174.302 176.094 -0.158 0.000 1.084 373 V CA -0.816 61.419 62.300 -0.109 0.000 1.155 373 V CB -0.185 31.594 31.823 -0.074 0.000 0.975 373 V HN 0.745 nan 8.190 nan 0.000 0.490 374 P HA -0.134 nan 4.420 nan 0.000 0.216 374 P C 1.352 178.572 177.300 -0.134 0.000 1.150 374 P CA 1.599 64.628 63.100 -0.120 0.000 0.843 374 P CB 0.148 31.810 31.700 -0.063 0.000 0.787 375 E N -0.563 119.569 120.200 -0.114 0.000 2.110 375 E HA -0.208 4.143 4.350 0.001 0.000 0.193 375 E C 1.974 178.476 176.600 -0.164 0.000 0.988 375 E CA 1.205 57.529 56.400 -0.126 0.000 0.804 375 E CB -0.713 28.933 29.700 -0.090 0.000 0.745 375 E HN 0.368 nan 8.360 nan 0.000 0.458 376 E N 0.195 120.289 120.200 -0.177 0.000 2.072 376 E HA -0.090 4.260 4.350 0.001 0.000 0.190 376 E C 1.840 178.257 176.600 -0.305 0.000 0.982 376 E CA 0.850 57.138 56.400 -0.187 0.000 0.803 376 E CB -0.059 29.534 29.700 -0.178 0.000 0.755 376 E HN 0.079 nan 8.360 nan 0.000 0.453 377 V N 1.114 120.730 119.914 -0.497 0.000 2.407 377 V HA -0.231 3.889 4.120 0.001 0.000 0.248 377 V C 2.388 178.426 176.094 -0.093 0.000 1.055 377 V CA 2.055 64.022 62.300 -0.556 0.000 1.049 377 V CB -0.732 30.817 31.823 -0.457 0.000 0.662 377 V HN 0.333 nan 8.190 nan 0.000 0.455 378 E N 0.690 120.831 120.200 -0.100 0.000 2.118 378 E HA -0.214 4.137 4.350 0.001 0.000 0.195 378 E C 1.974 178.584 176.600 0.017 0.000 0.992 378 E CA 1.529 57.911 56.400 -0.029 0.000 0.804 378 E CB -0.438 29.217 29.700 -0.075 0.000 0.741 378 E HN 0.597 nan 8.360 nan 0.000 0.458 379 L N -0.365 120.843 121.223 -0.024 0.000 2.046 379 L HA -0.137 4.204 4.340 0.001 0.000 0.208 379 L C 2.518 179.455 176.870 0.112 0.000 1.077 379 L CA 1.216 56.069 54.840 0.023 0.000 0.747 379 L CB -0.610 41.462 42.059 0.021 0.000 0.896 379 L HN 0.230 nan 8.230 nan 0.000 0.432 380 A N -0.142 122.805 122.820 0.212 0.000 1.929 380 A HA -0.197 4.124 4.320 0.001 0.000 0.216 380 A C 2.400 180.185 177.584 0.335 0.000 1.176 380 A CA 1.524 53.733 52.037 0.288 0.000 0.628 380 A CB -0.334 18.953 19.000 0.479 0.000 0.816 380 A HN 0.290 nan 8.150 nan 0.000 0.444 381 K N 0.434 121.078 120.400 0.406 0.000 2.026 381 K HA -0.216 4.105 4.320 0.001 0.000 0.208 381 K C 2.032 178.753 176.600 0.202 0.000 1.048 381 K CA 1.734 58.237 56.287 0.362 0.000 0.929 381 K CB -0.215 32.393 32.500 0.180 0.000 0.713 381 K HN 0.735 nan 8.250 nan 0.000 0.439 382 E N 0.228 120.512 120.200 0.140 0.000 2.268 382 E HA -0.179 4.171 4.350 0.001 0.000 0.195 382 E C 0.573 177.211 176.600 0.063 0.000 0.995 382 E CA 1.078 57.533 56.400 0.092 0.000 0.836 382 E CB 0.005 29.769 29.700 0.107 0.000 0.763 382 E HN 0.414 nan 8.360 nan 0.000 0.491 383 E N 0.867 121.116 120.200 0.081 0.000 2.403 383 E HA 0.034 4.385 4.350 0.001 0.000 0.188 383 E C -0.444 176.225 176.600 0.115 0.000 1.056 383 E CA -0.196 56.233 56.400 0.049 0.000 0.892 383 E CB 0.331 30.039 29.700 0.014 0.000 1.049 383 E HN 0.087 nan 8.360 nan 0.000 0.465 384 K N -0.604 119.884 120.400 0.146 0.000 3.129 384 K HA -0.159 4.161 4.320 0.001 0.000 0.273 384 K C -0.511 176.179 176.600 0.149 0.000 1.123 384 K CA 0.304 56.708 56.287 0.195 0.000 0.800 384 K CB -3.209 29.477 32.500 0.310 0.000 1.238 384 K HN 0.252 nan 8.250 nan 0.000 0.492 385 C N 1.220 120.607 119.300 0.145 0.000 2.601 385 C HA 0.281 4.742 4.460 0.001 0.000 0.409 385 C C 1.341 176.373 174.990 0.070 0.000 1.293 385 C CA -0.503 58.506 59.018 -0.014 0.000 2.101 385 C CB 0.673 28.350 27.740 -0.106 0.000 2.639 385 C HN 0.337 nan 8.230 nan 0.000 0.592 386 E N 1.068 121.198 120.200 -0.117 0.000 2.266 386 E HA 0.531 4.881 4.350 0.001 0.000 0.277 386 E C -1.371 175.304 176.600 0.124 0.000 1.018 386 E CA -0.254 56.201 56.400 0.092 0.000 0.840 386 E CB 0.379 30.014 29.700 -0.108 0.000 1.082 386 E HN 0.380 nan 8.360 nan 0.000 0.395 387 F N 3.817 123.914 119.950 0.245 0.000 2.426 387 F HA 0.399 4.927 4.527 0.001 0.000 0.348 387 F C -0.394 175.488 175.800 0.138 0.000 1.124 387 F CA -0.738 57.425 58.000 0.273 0.000 1.008 387 F CB 0.928 40.313 39.000 0.641 0.000 1.139 387 F HN 0.236 nan 8.300 nan 0.000 0.452 388 L N 6.350 127.490 121.223 -0.139 0.000 2.324 388 L HA 0.440 4.781 4.340 0.001 0.000 0.274 388 L C -2.451 173.976 176.870 -0.739 0.000 1.012 388 L CA -1.847 52.841 54.840 -0.253 0.000 0.859 388 L CB 1.488 43.391 42.059 -0.260 0.000 1.224 388 L HN 0.315 nan 8.230 nan 0.000 0.429 389 P HA 0.263 nan 4.420 nan 0.000 0.278 389 P C -0.087 177.203 177.300 -0.017 0.000 1.266 389 P CA -0.410 62.440 63.100 -0.416 0.000 0.807 389 P CB 0.718 32.560 31.700 0.237 0.000 1.094 390 F N -2.724 117.260 119.950 0.056 0.000 3.004 390 F HA -0.202 4.326 4.527 0.001 0.000 0.264 390 F C -0.059 175.759 175.800 0.030 0.000 0.979 390 F CA 0.685 58.753 58.000 0.114 0.000 0.896 390 F CB -1.984 37.125 39.000 0.181 0.000 0.813 390 F HN 0.135 nan 8.300 nan 0.000 0.804 391 L N -0.003 121.244 121.223 0.040 0.000 2.409 391 L HA 0.569 4.909 4.340 0.001 0.000 0.272 391 L C 0.046 177.009 176.870 0.154 0.000 0.980 391 L CA -0.671 54.179 54.840 0.017 0.000 0.826 391 L CB 2.240 44.093 42.059 -0.344 0.000 1.268 391 L HN 0.073 nan 8.230 nan 0.000 0.407 392 S N 3.851 119.721 115.700 0.283 0.000 2.478 392 S HA 0.597 5.067 4.470 0.001 0.000 0.312 392 S C -2.567 172.229 174.600 0.327 0.000 1.094 392 S CA -1.501 56.855 58.200 0.260 0.000 1.081 392 S CB 1.527 64.805 63.200 0.130 0.000 1.007 392 S HN 0.220 nan 8.310 nan 0.000 0.475 393 P HA 0.260 nan 4.420 nan 0.000 0.265 393 P C 0.218 177.400 177.300 -0.196 0.000 1.193 393 P CA -0.133 62.849 63.100 -0.197 0.000 0.765 393 P CB 0.505 32.193 31.700 -0.020 0.000 0.823 394 R N 1.833 122.161 120.500 -0.287 0.000 2.444 394 R HA 0.279 4.620 4.340 0.001 0.000 0.201 394 R C 0.196 176.366 176.300 -0.217 0.000 0.861 394 R CA 0.551 56.538 56.100 -0.189 0.000 1.034 394 R CB 0.595 30.834 30.300 -0.101 0.000 1.347 394 R HN 0.424 nan 8.270 nan 0.000 0.659 395 K N 0.438 120.693 120.400 -0.243 0.000 2.557 395 K HA 0.306 4.626 4.320 0.001 0.000 0.261 395 K C -1.572 174.934 176.600 -0.158 0.000 0.932 395 K CA -0.399 55.778 56.287 -0.183 0.000 0.829 395 K CB 2.636 35.069 32.500 -0.112 0.000 1.358 395 K HN -0.225 nan 8.250 nan 0.000 0.430 396 V N 5.235 125.086 119.914 -0.104 0.000 2.350 396 V HA 0.333 4.454 4.120 0.001 0.000 0.276 396 V C 0.042 176.120 176.094 -0.026 0.000 1.028 396 V CA -0.887 61.389 62.300 -0.039 0.000 0.860 396 V CB 1.008 32.845 31.823 0.024 0.000 0.990 396 V HN 0.566 nan 8.190 nan 0.000 0.453 397 I N 6.147 126.714 120.570 -0.005 0.000 2.396 397 I HA 0.274 4.445 4.170 0.001 0.000 0.289 397 I C 0.102 176.229 176.117 0.016 0.000 1.056 397 I CA 0.039 61.351 61.300 0.020 0.000 1.365 397 I CB 1.073 39.120 38.000 0.080 0.000 1.407 397 I HN 0.231 nan 8.210 nan 0.000 0.509 398 V N 7.959 127.878 119.914 0.008 0.000 2.448 398 V HA 0.485 4.606 4.120 0.001 0.000 0.295 398 V C 0.051 176.150 176.094 0.009 0.000 1.025 398 V CA -0.797 61.508 62.300 0.008 0.000 0.859 398 V CB 2.056 33.878 31.823 -0.002 0.000 0.988 398 V HN 0.664 nan 8.190 nan 0.000 0.431 399 K N 2.291 122.699 120.400 0.013 0.000 2.498 399 K HA 0.608 4.929 4.320 0.001 0.000 0.254 399 K C 0.613 177.219 176.600 0.011 0.000 0.933 399 K CA -0.361 55.934 56.287 0.012 0.000 0.806 399 K CB 2.092 34.603 32.500 0.018 0.000 1.301 399 K HN 0.954 nan 8.250 nan 0.000 0.432 400 G N 1.063 109.868 108.800 0.008 0.000 2.283 400 G HA2 -0.247 3.714 3.960 0.001 0.000 0.280 400 G HA3 -0.247 3.714 3.960 0.001 0.000 0.280 400 G C 0.761 175.666 174.900 0.008 0.000 1.029 400 G CA 1.000 46.104 45.100 0.008 0.000 0.840 400 G HN 1.240 nan 8.290 nan 0.000 0.505 401 G N -1.956 106.848 108.800 0.006 0.000 2.162 401 G HA2 -0.259 3.702 3.960 0.001 0.000 0.260 401 G HA3 -0.259 3.702 3.960 0.001 0.000 0.260 401 G C 0.323 175.227 174.900 0.007 0.000 0.976 401 G CA 1.109 46.212 45.100 0.004 0.000 0.655 401 G HN 1.103 nan 8.290 nan 0.000 0.533 402 R N -0.861 119.646 120.500 0.011 0.000 2.795 402 R HA 0.592 4.933 4.340 0.001 0.000 0.275 402 R C 0.148 176.459 176.300 0.018 0.000 0.981 402 R CA -1.116 54.993 56.100 0.015 0.000 0.917 402 R CB 1.515 31.826 30.300 0.018 0.000 1.202 402 R HN 0.179 nan 8.270 nan 0.000 0.469 403 I N 2.171 122.756 120.570 0.024 0.000 2.648 403 I HA -0.059 4.112 4.170 0.001 0.000 0.284 403 I C 1.469 177.597 176.117 0.018 0.000 1.153 403 I CA 0.220 61.535 61.300 0.024 0.000 1.426 403 I CB 0.926 38.950 38.000 0.040 0.000 1.381 403 I HN 0.526 nan 8.210 nan 0.000 0.571 404 V N 2.337 122.258 119.914 0.012 0.000 3.485 404 V HA 0.704 4.825 4.120 0.001 0.000 0.280 404 V C 0.330 176.404 176.094 -0.033 0.000 1.495 404 V CA 0.396 62.699 62.300 0.005 0.000 1.018 404 V CB 0.072 31.910 31.823 0.026 0.000 0.818 404 V HN 0.820 nan 8.190 nan 0.000 0.436 405 A N -0.625 122.168 122.820 -0.045 0.000 2.522 405 A HA 0.767 5.088 4.320 0.001 0.000 0.291 405 A C -1.603 175.928 177.584 -0.089 0.000 1.039 405 A CA -0.134 51.821 52.037 -0.137 0.000 0.643 405 A CB 1.488 20.279 19.000 -0.347 0.000 1.310 405 A HN 0.647 nan 8.150 nan 0.000 0.436 406 V N 1.057 120.902 119.914 -0.115 0.000 2.638 406 V HA 0.562 4.683 4.120 0.001 0.000 0.306 406 V C -0.224 175.759 176.094 -0.185 0.000 1.052 406 V CA -0.426 61.774 62.300 -0.167 0.000 0.885 406 V CB 1.735 33.428 31.823 -0.217 0.000 0.999 406 V HN 0.915 nan 8.190 nan 0.000 0.424 407 Q N 3.004 122.672 119.800 -0.221 0.000 2.271 407 Q HA 0.652 4.992 4.340 0.001 0.000 0.258 407 Q C -1.809 174.044 176.000 -0.244 0.000 0.936 407 Q CA -0.317 55.448 55.803 -0.064 0.000 0.909 407 Q CB 1.260 30.007 28.738 0.015 0.000 1.253 407 Q HN 0.612 nan 8.270 nan 0.000 0.440 408 F N 1.516 121.482 119.950 0.027 0.000 2.618 408 F HA 0.589 5.117 4.527 0.001 0.000 0.332 408 F C -0.150 175.668 175.800 0.030 0.000 1.061 408 F CA -0.938 57.077 58.000 0.024 0.000 0.974 408 F CB 1.543 40.553 39.000 0.017 0.000 1.310 408 F HN 0.331 nan 8.300 nan 0.000 0.491 409 V N -0.829 119.235 119.914 0.252 0.000 2.864 409 V HA 0.646 4.766 4.120 0.001 0.000 0.314 409 V C -0.397 175.799 176.094 0.171 0.000 1.073 409 V CA -1.217 61.179 62.300 0.160 0.000 0.956 409 V CB 1.693 33.579 31.823 0.104 0.000 1.023 409 V HN 0.846 nan 8.190 nan 0.000 0.435 410 R N 1.438 122.021 120.500 0.137 0.000 2.582 410 R HA 0.596 4.936 4.340 0.001 0.000 0.271 410 R C 0.051 176.460 176.300 0.182 0.000 1.078 410 R CA 0.470 56.660 56.100 0.149 0.000 1.127 410 R CB 1.151 31.515 30.300 0.106 0.000 1.038 410 R HN 1.148 nan 8.270 nan 0.000 0.500 411 T N -0.180 114.535 114.554 0.269 0.000 2.930 411 T HA 0.584 4.934 4.350 0.001 0.000 0.290 411 T C -0.749 174.199 174.700 0.413 0.000 1.052 411 T CA -0.829 61.484 62.100 0.355 0.000 1.017 411 T CB 1.934 71.062 68.868 0.433 0.000 1.137 411 T HN 0.791 nan 8.240 nan 0.000 0.511 412 E N 0.084 120.531 120.200 0.411 0.000 2.432 412 E HA 0.353 4.703 4.350 0.001 0.000 0.279 412 E C -1.725 174.842 176.600 -0.056 0.000 1.099 412 E CA -1.127 55.380 56.400 0.179 0.000 0.859 412 E CB 1.142 30.841 29.700 -0.002 0.000 1.402 412 E HN 0.668 nan 8.360 nan 0.000 0.451 413 Q N 0.809 120.397 119.800 -0.354 0.000 2.337 413 Q HA 0.275 4.616 4.340 0.001 0.000 0.266 413 Q C -1.467 174.364 176.000 -0.282 0.000 1.023 413 Q CA -0.955 54.516 55.803 -0.553 0.000 0.829 413 Q CB 1.807 30.001 28.738 -0.906 0.000 1.306 413 Q HN 0.527 nan 8.270 nan 0.000 0.449 414 D N 1.128 121.401 120.400 -0.212 0.000 2.225 414 D HA 0.023 4.663 4.640 0.001 0.000 0.249 414 D C 0.246 176.475 176.300 -0.118 0.000 1.052 414 D CA -0.370 53.556 54.000 -0.123 0.000 0.909 414 D CB 0.851 41.608 40.800 -0.071 0.000 1.186 414 D HN 0.512 nan 8.370 nan 0.000 0.431 415 E N 0.243 120.393 120.200 -0.084 0.000 2.449 415 E HA -0.256 4.094 4.350 0.001 0.000 0.206 415 E C 1.030 177.598 176.600 -0.054 0.000 1.064 415 E CA 1.648 58.009 56.400 -0.065 0.000 0.875 415 E CB -0.389 29.285 29.700 -0.043 0.000 0.796 415 E HN 0.757 nan 8.360 nan 0.000 0.550 416 T N -4.704 109.817 114.554 -0.056 0.000 3.022 416 T HA 0.329 4.680 4.350 0.001 0.000 0.250 416 T C 1.432 176.107 174.700 -0.041 0.000 1.060 416 T CA 0.321 62.400 62.100 -0.035 0.000 1.013 416 T CB 1.014 69.870 68.868 -0.019 0.000 0.982 416 T HN 0.239 nan 8.240 nan 0.000 0.508 417 G N 1.296 110.041 108.800 -0.092 0.000 2.168 417 G HA2 -0.149 3.812 3.960 0.001 0.000 0.197 417 G HA3 -0.149 3.812 3.960 0.001 0.000 0.197 417 G C -0.194 174.621 174.900 -0.143 0.000 0.997 417 G CA -0.432 44.598 45.100 -0.116 0.000 0.658 417 G HN 0.621 nan 8.290 nan 0.000 0.513 418 K N -0.362 119.963 120.400 -0.124 0.000 2.143 418 K HA 0.493 4.814 4.320 0.001 0.000 0.272 418 K C -0.541 175.982 176.600 -0.129 0.000 1.001 418 K CA -0.620 55.647 56.287 -0.032 0.000 0.915 418 K CB 0.996 33.509 32.500 0.021 0.000 1.047 418 K HN 0.162 nan 8.250 nan 0.000 0.458 419 W N 1.976 123.308 121.300 0.054 0.000 2.390 419 W HA 0.295 4.956 4.660 0.001 0.000 0.312 419 W C 0.195 176.749 176.519 0.058 0.000 1.123 419 W CA -0.425 56.962 57.345 0.070 0.000 1.202 419 W CB 0.796 30.300 29.460 0.074 0.000 1.251 419 W HN 0.436 nan 8.180 nan 0.000 0.511 420 N N 1.867 120.721 118.700 0.256 0.000 2.380 420 N HA 0.380 5.121 4.740 0.001 0.000 0.290 420 N C -1.199 174.419 175.510 0.181 0.000 1.236 420 N CA -0.972 52.179 53.050 0.169 0.000 0.780 420 N CB 2.035 40.576 38.487 0.090 0.000 1.438 420 N HN 0.452 nan 8.380 nan 0.000 0.491 421 E N 0.300 120.577 120.200 0.129 0.000 2.183 421 E HA 0.300 4.651 4.350 0.001 0.000 0.271 421 E C -1.259 175.392 176.600 0.086 0.000 0.919 421 E CA -0.714 55.758 56.400 0.120 0.000 0.781 421 E CB 1.621 31.380 29.700 0.099 0.000 1.140 421 E HN 0.311 nan 8.360 nan 0.000 0.402 422 D N 3.659 124.110 120.400 0.085 0.000 2.443 422 D HA 0.047 4.688 4.640 0.001 0.000 0.221 422 D C 0.618 176.951 176.300 0.055 0.000 1.097 422 D CA -0.227 53.809 54.000 0.060 0.000 0.865 422 D CB 1.118 41.950 40.800 0.053 0.000 1.034 422 D HN 0.372 nan 8.370 nan 0.000 0.511 423 E N 1.427 121.653 120.200 0.042 0.000 2.118 423 E HA -0.176 4.174 4.350 0.001 0.000 0.195 423 E C 1.275 177.893 176.600 0.031 0.000 0.992 423 E CA 1.052 57.473 56.400 0.034 0.000 0.804 423 E CB 0.116 29.829 29.700 0.023 0.000 0.741 423 E HN 0.604 nan 8.360 nan 0.000 0.458 424 D N 0.243 120.660 120.400 0.027 0.000 2.363 424 D HA -0.130 4.511 4.640 0.001 0.000 0.220 424 D C 0.137 176.454 176.300 0.028 0.000 0.994 424 D CA 0.264 54.278 54.000 0.023 0.000 0.890 424 D CB -0.138 40.672 40.800 0.016 0.000 0.906 424 D HN 0.167 nan 8.370 nan 0.000 0.530 425 Q N 1.111 120.935 119.800 0.039 0.000 2.462 425 Q HA 0.443 4.784 4.340 0.001 0.000 0.247 425 Q C -0.082 175.956 176.000 0.065 0.000 1.044 425 Q CA -0.451 55.379 55.803 0.045 0.000 0.803 425 Q CB 1.705 30.468 28.738 0.043 0.000 1.190 425 Q HN 0.409 nan 8.270 nan 0.000 0.507 426 I N -1.830 118.779 120.570 0.065 0.000 2.863 426 I HA 0.817 4.987 4.170 0.001 0.000 0.311 426 I C -0.673 175.508 176.117 0.106 0.000 1.026 426 I CA -1.322 60.033 61.300 0.092 0.000 1.077 426 I CB 1.743 39.789 38.000 0.078 0.000 1.262 426 I HN 0.056 nan 8.210 nan 0.000 0.461 427 V N 2.292 122.301 119.914 0.159 0.000 2.686 427 V HA 0.285 4.406 4.120 0.001 0.000 0.306 427 V C -1.230 175.012 176.094 0.248 0.000 1.065 427 V CA -0.427 61.971 62.300 0.163 0.000 0.894 427 V CB 1.551 33.437 31.823 0.105 0.000 1.004 427 V HN 0.828 nan 8.190 nan 0.000 0.424 428 H N 4.726 123.845 119.070 0.082 0.000 2.691 428 H HA 0.622 5.179 4.556 0.001 0.000 0.281 428 H C -1.056 174.296 175.328 0.040 0.000 1.121 428 H CA -0.455 55.633 56.048 0.066 0.000 1.254 428 H CB 1.102 30.880 29.762 0.028 0.000 1.390 428 H HN 0.514 nan 8.280 nan 0.000 0.491 429 L N 4.650 125.783 121.223 -0.149 0.000 2.264 429 L HA 0.365 4.706 4.340 0.001 0.000 0.289 429 L C -0.471 176.209 176.870 -0.317 0.000 1.044 429 L CA -0.375 54.331 54.840 -0.223 0.000 0.807 429 L CB 0.657 42.637 42.059 -0.133 0.000 1.192 429 L HN 0.539 nan 8.230 nan 0.000 0.425 430 K N 4.116 124.331 120.400 -0.308 0.000 2.382 430 K HA 0.657 4.977 4.320 0.001 0.000 0.275 430 K C -0.629 175.881 176.600 -0.150 0.000 1.009 430 K CA 0.088 56.245 56.287 -0.216 0.000 0.970 430 K CB 0.763 33.189 32.500 -0.124 0.000 0.934 430 K HN 0.781 nan 8.250 nan 0.000 0.479 431 A N 2.134 124.906 122.820 -0.080 0.000 2.599 431 A HA 0.234 4.555 4.320 0.001 0.000 0.294 431 A C -0.808 176.776 177.584 0.001 0.000 1.055 431 A CA -0.786 51.238 52.037 -0.022 0.000 0.683 431 A CB 1.146 20.139 19.000 -0.013 0.000 1.278 431 A HN 0.782 nan 8.150 nan 0.000 0.412 432 D N -0.325 120.087 120.400 0.019 0.000 2.423 432 D HA 0.244 4.885 4.640 0.001 0.000 0.212 432 D C -0.085 176.234 176.300 0.032 0.000 1.060 432 D CA 0.985 55.000 54.000 0.024 0.000 0.872 432 D CB 1.129 41.944 40.800 0.025 0.000 1.012 432 D HN 0.243 nan 8.370 nan 0.000 0.503 433 V N 1.531 121.457 119.914 0.021 0.000 2.841 433 V HA 0.363 4.484 4.120 0.001 0.000 0.310 433 V C -0.423 175.662 176.094 -0.015 0.000 1.090 433 V CA -0.794 61.516 62.300 0.015 0.000 0.930 433 V CB 2.989 34.790 31.823 -0.036 0.000 1.014 433 V HN -0.234 nan 8.190 nan 0.000 0.425 434 V N 5.443 125.354 119.914 -0.005 0.000 2.531 434 V HA 0.576 4.697 4.120 0.001 0.000 0.301 434 V C -0.637 175.315 176.094 -0.236 0.000 1.034 434 V CA -0.361 61.911 62.300 -0.047 0.000 0.865 434 V CB 1.928 33.800 31.823 0.081 0.000 0.995 434 V HN 0.710 nan 8.190 nan 0.000 0.424 435 I N 4.062 124.437 120.570 -0.325 0.000 2.410 435 I HA 0.403 4.573 4.170 0.001 0.000 0.286 435 I C 0.243 176.092 176.117 -0.447 0.000 1.009 435 I CA -0.379 60.635 61.300 -0.476 0.000 1.111 435 I CB 2.188 39.885 38.000 -0.505 0.000 1.262 435 I HN 0.672 nan 8.210 nan 0.000 0.443 436 S N 4.611 119.941 115.700 -0.616 0.000 2.513 436 S HA 0.695 5.166 4.470 0.001 0.000 0.276 436 S C 0.170 174.470 174.600 -0.500 0.000 1.254 436 S CA -0.570 57.192 58.200 -0.730 0.000 1.053 436 S CB 1.690 64.292 63.200 -0.997 0.000 0.958 436 S HN 0.729 nan 8.310 nan 0.000 0.491 437 A N 3.359 125.975 122.820 -0.339 0.000 3.214 437 A HA 0.569 4.889 4.320 0.001 0.000 0.304 437 A C -0.032 177.660 177.584 0.179 0.000 0.969 437 A CA -0.623 51.371 52.037 -0.070 0.000 0.986 437 A CB -0.569 18.408 19.000 -0.039 0.000 1.073 437 A HN 0.750 nan 8.150 nan 0.000 0.487 438 F N 0.563 120.541 119.950 0.046 0.000 2.811 438 F HA 0.386 4.913 4.527 0.001 0.000 0.301 438 F C 1.533 177.353 175.800 0.032 0.000 1.151 438 F CA 0.143 58.174 58.000 0.052 0.000 1.412 438 F CB -0.691 38.366 39.000 0.095 0.000 1.113 438 F HN 0.627 nan 8.300 nan 0.000 0.579 439 G N -0.379 108.539 108.800 0.197 0.000 2.483 439 G HA2 0.040 4.000 3.960 0.001 0.000 0.521 439 G HA3 0.040 4.000 3.960 0.001 0.000 0.521 439 G C -0.783 174.177 174.900 0.100 0.000 1.278 439 G CA -0.655 44.514 45.100 0.117 0.000 0.965 439 G HN 0.161 nan 8.290 nan 0.000 0.504 440 S N -1.540 114.204 115.700 0.073 0.000 2.632 440 S HA 0.937 5.408 4.470 0.001 0.000 0.289 440 S C 0.039 174.676 174.600 0.061 0.000 1.115 440 S CA 0.033 58.274 58.200 0.067 0.000 0.889 440 S CB 1.935 65.168 63.200 0.055 0.000 1.116 440 S HN 2.130 nan 8.310 nan 0.000 0.486 441 V N -0.834 119.119 119.914 0.065 0.000 3.226 441 V HA 0.797 4.918 4.120 0.001 0.000 0.304 441 V C -1.927 174.208 176.094 0.068 0.000 1.336 441 V CA -1.069 61.270 62.300 0.066 0.000 1.066 441 V CB 1.690 33.557 31.823 0.074 0.000 1.087 441 V HN 0.686 nan 8.190 nan 0.000 0.451 442 L N 1.377 122.648 121.223 0.080 0.000 2.294 442 L HA 0.743 5.084 4.340 0.001 0.000 0.283 442 L C 0.515 177.437 176.870 0.085 0.000 1.015 442 L CA 0.247 55.139 54.840 0.086 0.000 0.831 442 L CB 1.088 43.215 42.059 0.113 0.000 1.217 442 L HN 0.912 nan 8.230 nan 0.000 0.420 443 R N 1.705 122.243 120.500 0.063 0.000 2.470 443 R HA 0.159 4.500 4.340 0.001 0.000 0.210 443 R C -0.182 176.134 176.300 0.028 0.000 0.873 443 R CA -0.358 55.771 56.100 0.048 0.000 1.015 443 R CB 0.339 30.669 30.300 0.051 0.000 1.348 443 R HN 0.715 nan 8.270 nan 0.000 0.650 444 D N 3.094 123.511 120.400 0.029 0.000 2.554 444 D HA -0.054 4.586 4.640 0.001 0.000 0.251 444 D C -1.479 174.820 176.300 -0.001 0.000 1.213 444 D CA -0.879 53.130 54.000 0.015 0.000 0.900 444 D CB 1.487 42.298 40.800 0.018 0.000 1.135 444 D HN 0.169 nan 8.370 nan 0.000 0.522 445 P HA -0.153 nan 4.420 nan 0.000 0.220 445 P C 0.933 178.211 177.300 -0.036 0.000 1.148 445 P CA 1.030 64.109 63.100 -0.036 0.000 0.803 445 P CB 0.357 32.037 31.700 -0.033 0.000 0.782 446 K N -0.344 120.044 120.400 -0.020 0.000 2.148 446 K HA -0.020 4.300 4.320 0.001 0.000 0.204 446 K C 2.090 178.681 176.600 -0.015 0.000 1.050 446 K CA 0.923 57.199 56.287 -0.018 0.000 0.942 446 K CB -0.435 32.059 32.500 -0.011 0.000 0.724 446 K HN 0.032 nan 8.250 nan 0.000 0.446 447 V N 1.800 121.710 119.914 -0.006 0.000 2.407 447 V HA -0.187 3.934 4.120 0.001 0.000 0.245 447 V C 1.966 178.068 176.094 0.015 0.000 1.041 447 V CA 1.541 63.845 62.300 0.007 0.000 1.040 447 V CB -0.311 31.525 31.823 0.021 0.000 0.671 447 V HN 0.252 nan 8.190 nan 0.000 0.455 448 K N 0.086 120.482 120.400 -0.006 0.000 2.057 448 K HA -0.224 4.096 4.320 0.001 0.000 0.207 448 K C 2.195 178.740 176.600 -0.091 0.000 1.049 448 K CA 1.682 57.937 56.287 -0.054 0.000 0.931 448 K CB -0.168 32.217 32.500 -0.192 0.000 0.714 448 K HN 0.488 nan 8.250 nan 0.000 0.440 449 E N 0.708 120.860 120.200 -0.080 0.000 2.153 449 E HA -0.154 4.197 4.350 0.001 0.000 0.194 449 E C 1.752 178.335 176.600 -0.028 0.000 0.988 449 E CA 0.777 57.137 56.400 -0.066 0.000 0.811 449 E CB 0.016 29.685 29.700 -0.052 0.000 0.746 449 E HN 0.329 nan 8.360 nan 0.000 0.466 450 A N 0.356 123.168 122.820 -0.014 0.000 2.121 450 A HA -0.063 4.258 4.320 0.001 0.000 0.218 450 A C 1.812 179.401 177.584 0.009 0.000 1.154 450 A CA 0.631 52.666 52.037 -0.004 0.000 0.679 450 A CB -0.188 18.804 19.000 -0.012 0.000 0.795 450 A HN 0.266 nan 8.150 nan 0.000 0.458 451 L N -0.239 121.004 121.223 0.033 0.000 2.628 451 L HA 0.115 4.456 4.340 0.001 0.000 0.229 451 L C 1.125 178.039 176.870 0.073 0.000 1.137 451 L CA -0.253 54.625 54.840 0.064 0.000 0.909 451 L CB 0.055 42.228 42.059 0.189 0.000 1.137 451 L HN 0.310 nan 8.230 nan 0.000 0.470 452 S N 1.682 117.406 115.700 0.039 0.000 2.560 452 S HA 0.138 4.608 4.470 0.001 0.000 0.284 452 S C -1.636 172.996 174.600 0.054 0.000 1.327 452 S CA -0.815 57.406 58.200 0.034 0.000 1.055 452 S CB 0.623 63.828 63.200 0.008 0.000 0.868 452 S HN 0.087 nan 8.310 nan 0.000 0.506 453 P HA 0.255 nan 4.420 nan 0.000 0.270 453 P C 0.212 177.544 177.300 0.053 0.000 1.754 453 P CA -0.369 62.758 63.100 0.045 0.000 1.202 453 P CB -0.630 31.094 31.700 0.041 0.000 1.592 454 I N -2.268 118.338 120.570 0.060 0.000 2.813 454 I HA 0.176 4.347 4.170 0.001 0.000 0.287 454 I C 0.035 176.240 176.117 0.146 0.000 1.196 454 I CA -0.282 61.039 61.300 0.035 0.000 1.421 454 I CB 0.467 38.434 38.000 -0.055 0.000 1.365 454 I HN -0.214 nan 8.210 nan 0.000 0.591 455 K N 4.576 125.012 120.400 0.060 0.000 2.326 455 K HA 0.357 4.678 4.320 0.001 0.000 0.275 455 K C -1.111 175.571 176.600 0.136 0.000 1.018 455 K CA -0.134 56.216 56.287 0.104 0.000 0.962 455 K CB 0.657 33.160 32.500 0.005 0.000 0.953 455 K HN 0.372 nan 8.250 nan 0.000 0.475 456 F N 2.004 121.915 119.950 -0.065 0.000 2.480 456 F HA 0.189 4.716 4.527 0.001 0.000 0.329 456 F C 0.716 176.472 175.800 -0.073 0.000 1.091 456 F CA -1.113 56.853 58.000 -0.056 0.000 0.972 456 F CB 1.185 40.163 39.000 -0.037 0.000 1.150 456 F HN 0.584 nan 8.300 nan 0.000 0.467 457 N N 1.368 120.082 118.700 0.022 0.000 2.374 457 N HA 0.195 4.935 4.740 0.001 0.000 0.284 457 N C 0.875 176.326 175.510 -0.098 0.000 1.280 457 N CA -0.614 52.378 53.050 -0.096 0.000 0.963 457 N CB 0.218 38.581 38.487 -0.208 0.000 1.141 457 N HN 0.624 nan 8.380 nan 0.000 0.565 458 R N -1.182 119.134 120.500 -0.306 0.000 2.285 458 R HA -0.004 4.337 4.340 0.001 0.000 0.213 458 R C 0.267 176.530 176.300 -0.062 0.000 1.068 458 R CA 0.793 56.734 56.100 -0.265 0.000 1.004 458 R CB -0.488 29.545 30.300 -0.446 0.000 0.873 458 R HN 0.755 nan 8.270 nan 0.000 0.467 459 W N 1.015 122.338 121.300 0.039 0.000 3.256 459 W HA 0.161 4.822 4.660 0.001 0.000 0.269 459 W C -0.215 176.346 176.519 0.070 0.000 1.310 459 W CA -0.483 56.885 57.345 0.040 0.000 1.673 459 W CB 0.349 29.822 29.460 0.021 0.000 1.115 459 W HN 0.171 nan 8.180 nan 0.000 0.686 460 D N 0.886 121.457 120.400 0.285 0.000 2.835 460 D HA -0.176 4.465 4.640 0.001 0.000 0.230 460 D C -0.686 175.866 176.300 0.420 0.000 1.130 460 D CA 0.763 54.957 54.000 0.323 0.000 0.738 460 D CB -1.285 39.651 40.800 0.228 0.000 1.090 460 D HN 0.081 nan 8.370 nan 0.000 0.433 461 L N -0.898 120.470 121.223 0.241 0.000 2.341 461 L HA 0.630 4.970 4.340 0.001 0.000 0.267 461 L C -2.063 174.503 176.870 -0.508 0.000 1.009 461 L CA -2.366 52.456 54.840 -0.029 0.000 0.819 461 L CB 1.931 44.018 42.059 0.047 0.000 1.323 461 L HN -0.224 nan 8.230 nan 0.000 0.425 462 P HA -0.016 nan 4.420 nan 0.000 0.263 462 P C -0.962 176.065 177.300 -0.456 0.000 1.195 462 P CA 0.122 62.640 63.100 -0.970 0.000 0.762 462 P CB 0.421 31.696 31.700 -0.708 0.000 0.799 463 E N 3.074 123.058 120.200 -0.360 0.000 2.259 463 E HA 0.384 4.735 4.350 0.001 0.000 0.281 463 E C -0.660 175.824 176.600 -0.194 0.000 1.027 463 E CA -0.786 55.490 56.400 -0.206 0.000 0.838 463 E CB 0.547 30.156 29.700 -0.152 0.000 1.066 463 E HN 0.252 nan 8.360 nan 0.000 0.401 464 V N 1.163 120.990 119.914 -0.146 0.000 3.078 464 V HA 0.400 4.521 4.120 0.001 0.000 0.311 464 V C -0.467 175.565 176.094 -0.104 0.000 1.138 464 V CA -1.196 61.019 62.300 -0.142 0.000 1.007 464 V CB 1.813 33.565 31.823 -0.118 0.000 1.045 464 V HN 0.778 nan 8.190 nan 0.000 0.432 465 D N 3.957 124.287 120.400 -0.116 0.000 2.371 465 D HA 0.247 4.888 4.640 0.001 0.000 0.256 465 D C -1.458 174.803 176.300 -0.064 0.000 1.193 465 D CA -1.364 52.578 54.000 -0.097 0.000 0.881 465 D CB 2.215 42.937 40.800 -0.131 0.000 1.143 465 D HN 0.540 nan 8.370 nan 0.000 0.473 466 P HA -0.154 nan 4.420 nan 0.000 0.223 466 P C 0.821 178.120 177.300 -0.003 0.000 1.144 466 P CA 0.946 64.041 63.100 -0.009 0.000 0.783 466 P CB 0.550 32.251 31.700 0.000 0.000 0.771 467 E N 0.602 120.776 120.200 -0.043 0.000 2.166 467 E HA -0.064 4.287 4.350 0.001 0.000 0.192 467 E C 1.883 178.400 176.600 -0.139 0.000 0.967 467 E CA 1.582 57.953 56.400 -0.048 0.000 0.840 467 E CB -0.847 28.811 29.700 -0.070 0.000 0.795 467 E HN 0.192 nan 8.360 nan 0.000 0.470 468 T N -2.450 111.927 114.554 -0.295 0.000 3.014 468 T HA 0.156 4.507 4.350 0.001 0.000 0.250 468 T C 0.784 175.559 174.700 0.125 0.000 1.060 468 T CA 0.430 62.261 62.100 -0.447 0.000 1.040 468 T CB 0.112 68.629 68.868 -0.586 0.000 0.971 468 T HN 0.094 nan 8.240 nan 0.000 0.497 469 M N -0.054 119.600 119.600 0.089 0.000 2.899 469 M HA -0.156 4.325 4.480 0.001 0.000 0.195 469 M C 0.035 176.401 176.300 0.110 0.000 0.603 469 M CA 0.509 55.915 55.300 0.177 0.000 0.712 469 M CB -2.874 29.938 32.600 0.354 0.000 2.569 469 M HN 0.664 nan 8.290 nan 0.000 0.406 470 Q N 1.437 121.146 119.800 -0.151 0.000 2.261 470 Q HA 0.454 4.795 4.340 0.001 0.000 0.252 470 Q C 0.828 176.554 176.000 -0.458 0.000 0.915 470 Q CA 0.371 55.768 55.803 -0.677 0.000 0.915 470 Q CB 1.311 29.623 28.738 -0.710 0.000 1.204 470 Q HN 0.465 nan 8.270 nan 0.000 0.421 471 T N -0.743 113.498 114.554 -0.522 0.000 2.833 471 T HA 0.130 4.480 4.350 0.001 0.000 0.292 471 T C 1.302 175.817 174.700 -0.307 0.000 1.031 471 T CA -0.003 61.881 62.100 -0.359 0.000 0.937 471 T CB 0.649 69.302 68.868 -0.359 0.000 1.256 471 T HN 0.699 nan 8.240 nan 0.000 0.551 472 S N -0.754 114.815 115.700 -0.218 0.000 2.469 472 S HA -0.025 4.445 4.470 0.001 0.000 0.238 472 S C 0.516 175.030 174.600 -0.143 0.000 0.998 472 S CA 0.355 58.465 58.200 -0.150 0.000 0.957 472 S CB -0.482 62.663 63.200 -0.091 0.000 0.764 472 S HN 0.695 nan 8.310 nan 0.000 0.514 473 E N 2.184 122.263 120.200 -0.201 0.000 2.115 473 E HA 0.307 4.657 4.350 0.001 0.000 0.282 473 E C -2.010 174.419 176.600 -0.285 0.000 0.987 473 E CA -2.654 53.652 56.400 -0.157 0.000 0.797 473 E CB 1.403 30.991 29.700 -0.187 0.000 1.086 473 E HN 0.101 nan 8.360 nan 0.000 0.397 474 P HA -0.187 nan 4.420 nan 0.000 0.218 474 P C 1.151 178.052 177.300 -0.664 0.000 1.152 474 P CA 1.427 64.342 63.100 -0.309 0.000 0.857 474 P CB -0.036 31.653 31.700 -0.018 0.000 0.787 475 W N -1.457 119.492 121.300 -0.586 0.000 3.256 475 W HA 0.292 4.952 4.660 0.001 0.000 0.269 475 W C -0.854 175.615 176.519 -0.084 0.000 1.310 475 W CA 0.131 57.191 57.345 -0.474 0.000 1.673 475 W CB -0.766 28.669 29.460 -0.042 0.000 1.115 475 W HN -0.294 nan 8.180 nan 0.000 0.686 476 V N 2.610 122.081 119.914 -0.737 0.000 2.448 476 V HA 0.432 4.553 4.120 0.001 0.000 0.295 476 V C -0.800 174.991 176.094 -0.506 0.000 1.025 476 V CA -0.471 61.443 62.300 -0.643 0.000 0.859 476 V CB 1.097 32.389 31.823 -0.886 0.000 0.988 476 V HN -0.184 nan 8.190 nan 0.000 0.431 477 F N 1.993 121.803 119.950 -0.233 0.000 2.618 477 F HA 0.942 5.470 4.527 0.001 0.000 0.332 477 F C 0.370 176.000 175.800 -0.283 0.000 1.061 477 F CA -0.751 57.180 58.000 -0.116 0.000 0.974 477 F CB 2.097 41.177 39.000 0.133 0.000 1.310 477 F HN 0.610 nan 8.300 nan 0.000 0.491 478 A N 0.034 122.785 122.820 -0.115 0.000 2.606 478 A HA 0.919 5.240 4.320 0.001 0.000 0.293 478 A C -0.891 176.556 177.584 -0.228 0.000 1.082 478 A CA -0.177 51.566 52.037 -0.491 0.000 0.685 478 A CB 1.728 20.512 19.000 -0.359 0.000 1.284 478 A HN 1.310 nan 8.150 nan 0.000 0.408 479 G N -1.179 107.435 108.800 -0.309 0.000 2.601 479 G HA2 0.843 4.804 3.960 0.001 0.000 0.291 479 G HA3 0.843 4.804 3.960 0.001 0.000 0.291 479 G C 0.150 175.115 174.900 0.110 0.000 1.456 479 G CA 0.698 45.873 45.100 0.126 0.000 0.804 479 G HN 2.681 nan 8.290 nan 0.000 0.499 480 G N 0.212 109.089 108.800 0.128 0.000 2.545 480 G HA2 -0.063 3.898 3.960 0.001 0.000 0.216 480 G HA3 -0.063 3.898 3.960 0.001 0.000 0.216 480 G C 0.518 175.444 174.900 0.044 0.000 1.314 480 G CA 0.707 45.866 45.100 0.097 0.000 0.906 480 G HN 0.847 nan 8.290 nan 0.000 0.563 481 D N -0.578 119.846 120.400 0.039 0.000 2.158 481 D HA -0.097 4.544 4.640 0.001 0.000 0.197 481 D C 2.415 178.718 176.300 0.005 0.000 0.995 481 D CA 1.477 55.491 54.000 0.023 0.000 0.846 481 D CB -0.104 40.714 40.800 0.030 0.000 0.941 481 D HN 0.463 nan 8.370 nan 0.000 0.456 482 I N 0.064 120.625 120.570 -0.014 0.000 2.423 482 I HA -0.194 3.977 4.170 0.001 0.000 0.254 482 I C 1.862 177.941 176.117 -0.063 0.000 1.151 482 I CA 0.928 62.201 61.300 -0.044 0.000 1.421 482 I CB 0.051 37.997 38.000 -0.090 0.000 1.079 482 I HN -0.149 nan 8.210 nan 0.000 0.431 483 V N 0.851 120.735 119.914 -0.051 0.000 2.951 483 V HA 0.157 4.277 4.120 0.001 0.000 0.255 483 V C 1.916 178.013 176.094 0.005 0.000 1.088 483 V CA 1.043 63.317 62.300 -0.044 0.000 1.109 483 V CB -1.011 30.796 31.823 -0.027 0.000 0.724 483 V HN 0.680 nan 8.190 nan 0.000 0.471 484 G N -0.358 108.446 108.800 0.007 0.000 2.159 484 G HA2 -0.385 3.576 3.960 0.001 0.000 0.256 484 G HA3 -0.385 3.576 3.960 0.001 0.000 0.256 484 G C 0.733 175.633 174.900 -0.001 0.000 0.977 484 G CA 0.867 45.969 45.100 0.003 0.000 0.652 484 G HN 0.412 nan 8.290 nan 0.000 0.531 485 M N 0.064 119.673 119.600 0.016 0.000 2.718 485 M HA 0.624 5.105 4.480 0.001 0.000 0.259 485 M C 1.753 178.061 176.300 0.014 0.000 1.240 485 M CA 1.034 56.345 55.300 0.019 0.000 1.210 485 M CB 0.285 32.905 32.600 0.034 0.000 1.281 485 M HN 0.671 nan 8.290 nan 0.000 0.515 486 A N 1.947 124.781 122.820 0.023 0.000 2.540 486 A HA 0.054 4.374 4.320 0.001 0.000 0.239 486 A C 0.015 177.608 177.584 0.015 0.000 1.061 486 A CA 0.264 52.316 52.037 0.026 0.000 0.758 486 A CB -0.098 18.926 19.000 0.040 0.000 0.991 486 A HN 0.690 nan 8.150 nan 0.000 0.502 487 N N -0.688 118.020 118.700 0.014 0.000 2.193 487 N HA 0.139 4.880 4.740 0.001 0.000 0.210 487 N C 0.006 175.525 175.510 0.014 0.000 1.215 487 N CA 0.917 53.972 53.050 0.008 0.000 0.901 487 N CB 0.831 39.319 38.487 0.001 0.000 1.060 487 N HN 0.855 nan 8.380 nan 0.000 0.508 488 T N -4.899 109.666 114.554 0.019 0.000 2.812 488 T HA 0.340 4.691 4.350 0.001 0.000 0.294 488 T C 0.896 175.611 174.700 0.025 0.000 1.159 488 T CA -0.554 61.557 62.100 0.019 0.000 1.008 488 T CB 1.310 70.186 68.868 0.013 0.000 1.289 488 T HN -0.208 nan 8.240 nan 0.000 0.514 489 T N 0.596 115.162 114.554 0.021 0.000 2.746 489 T HA -0.100 4.251 4.350 0.001 0.000 0.267 489 T C 2.003 176.715 174.700 0.021 0.000 1.039 489 T CA 1.414 63.527 62.100 0.023 0.000 1.142 489 T CB -0.347 68.528 68.868 0.013 0.000 0.866 489 T HN 0.500 nan 8.240 nan 0.000 0.444 490 V N 1.350 121.270 119.914 0.010 0.000 2.407 490 V HA -0.162 3.959 4.120 0.001 0.000 0.248 490 V C 2.277 178.385 176.094 0.024 0.000 1.055 490 V CA 1.896 64.201 62.300 0.008 0.000 1.049 490 V CB -0.398 31.424 31.823 -0.001 0.000 0.662 490 V HN 0.531 nan 8.190 nan 0.000 0.455 491 E N -0.405 119.813 120.200 0.029 0.000 2.152 491 E HA -0.128 4.222 4.350 0.001 0.000 0.192 491 E C 2.364 178.997 176.600 0.055 0.000 0.983 491 E CA 1.325 57.748 56.400 0.038 0.000 0.818 491 E CB -0.109 29.610 29.700 0.033 0.000 0.758 491 E HN 0.591 nan 8.360 nan 0.000 0.467 492 S N 0.332 116.068 115.700 0.059 0.000 2.368 492 S HA -0.106 4.365 4.470 0.001 0.000 0.224 492 S C 2.178 176.836 174.600 0.097 0.000 1.029 492 S CA 0.638 58.890 58.200 0.086 0.000 0.988 492 S CB -0.049 63.199 63.200 0.081 0.000 0.838 492 S HN 0.056 nan 8.310 nan 0.000 0.462 493 V N 2.661 122.617 119.914 0.071 0.000 2.343 493 V HA -0.194 3.927 4.120 0.001 0.000 0.247 493 V C 2.283 178.423 176.094 0.077 0.000 1.051 493 V CA 1.980 64.325 62.300 0.074 0.000 1.036 493 V CB -0.850 31.002 31.823 0.049 0.000 0.654 493 V HN 0.465 nan 8.190 nan 0.000 0.451 494 N N 0.215 118.948 118.700 0.055 0.000 2.166 494 N HA -0.174 4.567 4.740 0.001 0.000 0.186 494 N C 1.467 177.002 175.510 0.043 0.000 1.019 494 N CA 1.460 54.529 53.050 0.031 0.000 0.856 494 N CB -0.208 38.296 38.487 0.029 0.000 0.993 494 N HN 0.421 nan 8.380 nan 0.000 0.426 495 D N -0.843 119.610 120.400 0.087 0.000 2.117 495 D HA -0.065 4.575 4.640 0.001 0.000 0.197 495 D C 1.820 178.212 176.300 0.153 0.000 0.987 495 D CA 1.376 55.461 54.000 0.142 0.000 0.829 495 D CB -0.796 40.117 40.800 0.187 0.000 0.961 495 D HN 0.455 nan 8.370 nan 0.000 0.460 496 G N 0.554 109.405 108.800 0.085 0.000 2.408 496 G HA2 -0.264 3.697 3.960 0.001 0.000 0.217 496 G HA3 -0.264 3.697 3.960 0.001 0.000 0.217 496 G C 1.541 176.373 174.900 -0.113 0.000 1.150 496 G CA 0.799 45.811 45.100 -0.147 0.000 0.776 496 G HN 0.264 nan 8.290 nan 0.000 0.542 497 K N -0.157 120.204 120.400 -0.065 0.000 2.026 497 K HA -0.163 4.157 4.320 0.001 0.000 0.208 497 K C 2.526 178.992 176.600 -0.222 0.000 1.048 497 K CA 1.733 57.829 56.287 -0.318 0.000 0.929 497 K CB -0.172 32.069 32.500 -0.433 0.000 0.713 497 K HN 0.278 nan 8.250 nan 0.000 0.439 498 Q N 0.443 120.209 119.800 -0.058 0.000 2.061 498 Q HA -0.110 4.231 4.340 0.001 0.000 0.204 498 Q C 1.786 177.917 176.000 0.217 0.000 0.984 498 Q CA 2.171 58.028 55.803 0.089 0.000 0.846 498 Q CB -0.401 28.419 28.738 0.138 0.000 0.902 498 Q HN 0.431 nan 8.270 nan 0.000 0.421 499 A N -0.176 122.747 122.820 0.171 0.000 1.933 499 A HA -0.193 4.128 4.320 0.001 0.000 0.218 499 A C 2.244 179.808 177.584 -0.032 0.000 1.175 499 A CA 1.997 54.143 52.037 0.182 0.000 0.628 499 A CB -1.086 18.065 19.000 0.253 0.000 0.814 499 A HN 0.608 nan 8.150 nan 0.000 0.444 500 S N -1.278 114.376 115.700 -0.076 0.000 2.370 500 S HA -0.254 4.216 4.470 0.001 0.000 0.226 500 S C 1.938 176.526 174.600 -0.019 0.000 1.033 500 S CA 1.326 59.477 58.200 -0.082 0.000 1.011 500 S CB -0.906 62.304 63.200 0.017 0.000 0.852 500 S HN 0.768 nan 8.310 nan 0.000 0.457 501 W N 1.210 122.430 121.300 -0.134 0.000 2.381 501 W HA -0.154 4.506 4.660 0.001 0.000 0.301 501 W C 1.525 177.929 176.519 -0.193 0.000 1.205 501 W CA 1.212 58.455 57.345 -0.170 0.000 1.285 501 W CB -0.370 28.881 29.460 -0.349 0.000 1.133 501 W HN 0.375 nan 8.180 nan 0.000 0.521 502 Y N 0.401 120.697 120.300 -0.007 0.000 2.457 502 Y HA -0.089 4.462 4.550 0.001 0.000 0.292 502 Y C 2.460 178.249 175.900 -0.184 0.000 1.125 502 Y CA 1.257 59.342 58.100 -0.024 0.000 1.254 502 Y CB -0.840 37.786 38.460 0.276 0.000 1.012 502 Y HN -0.139 nan 8.280 nan 0.000 0.555 503 I N -0.889 119.432 120.570 -0.415 0.000 2.252 503 I HA -0.308 3.863 4.170 0.001 0.000 0.245 503 I C 2.504 178.503 176.117 -0.196 0.000 1.102 503 I CA 1.569 62.520 61.300 -0.582 0.000 1.385 503 I CB -0.306 37.302 38.000 -0.653 0.000 1.064 503 I HN 0.247 nan 8.210 nan 0.000 0.414 504 H N 1.638 120.503 119.070 -0.341 0.000 2.319 504 H HA -0.234 4.322 4.556 0.001 0.000 0.299 504 H C 2.217 177.379 175.328 -0.275 0.000 1.092 504 H CA 2.150 58.028 56.048 -0.284 0.000 1.302 504 H CB -0.122 29.453 29.762 -0.312 0.000 1.373 504 H HN 0.109 nan 8.280 nan 0.000 0.497 505 K N -0.972 119.083 120.400 -0.574 0.000 2.032 505 K HA -0.248 4.073 4.320 0.001 0.000 0.209 505 K C 2.219 178.727 176.600 -0.153 0.000 1.048 505 K CA 1.684 57.690 56.287 -0.469 0.000 0.927 505 K CB -0.513 31.802 32.500 -0.308 0.000 0.712 505 K HN 0.418 nan 8.250 nan 0.000 0.441 506 Y N 1.546 121.813 120.300 -0.055 0.000 2.114 506 Y HA -0.190 4.361 4.550 0.001 0.000 0.284 506 Y C 1.854 177.787 175.900 0.055 0.000 1.143 506 Y CA 1.741 59.892 58.100 0.085 0.000 1.135 506 Y CB -0.247 38.378 38.460 0.276 0.000 0.980 506 Y HN 0.019 nan 8.280 nan 0.000 0.499 507 I N 0.110 120.623 120.570 -0.096 0.000 2.163 507 I HA -0.349 3.822 4.170 0.001 0.000 0.243 507 I C 2.430 178.494 176.117 -0.089 0.000 1.085 507 I CA 1.349 62.591 61.300 -0.097 0.000 1.347 507 I CB -0.576 37.426 38.000 0.003 0.000 1.044 507 I HN 0.311 nan 8.210 nan 0.000 0.408 508 Q N 0.719 120.403 119.800 -0.194 0.000 2.061 508 Q HA -0.209 4.132 4.340 0.001 0.000 0.204 508 Q C 2.465 178.398 176.000 -0.111 0.000 0.984 508 Q CA 2.025 57.702 55.803 -0.209 0.000 0.846 508 Q CB -0.596 27.922 28.738 -0.367 0.000 0.902 508 Q HN 0.594 nan 8.270 nan 0.000 0.421 509 A N 1.055 123.781 122.820 -0.155 0.000 1.933 509 A HA -0.203 4.117 4.320 0.001 0.000 0.218 509 A C 2.063 179.566 177.584 -0.135 0.000 1.175 509 A CA 1.286 53.250 52.037 -0.121 0.000 0.628 509 A CB -0.366 18.570 19.000 -0.107 0.000 0.814 509 A HN 0.255 nan 8.150 nan 0.000 0.444 510 Q N -1.403 118.261 119.800 -0.226 0.000 2.226 510 Q HA -0.152 4.189 4.340 0.001 0.000 0.204 510 Q C 0.694 176.570 176.000 -0.207 0.000 0.975 510 Q CA 1.289 56.941 55.803 -0.251 0.000 0.866 510 Q CB -0.306 28.227 28.738 -0.342 0.000 0.915 510 Q HN 0.869 nan 8.270 nan 0.000 0.440 511 Y N -0.558 119.648 120.300 -0.156 0.000 2.532 511 Y HA 0.275 4.826 4.550 0.001 0.000 0.283 511 Y C 1.294 177.142 175.900 -0.086 0.000 1.181 511 Y CA 0.255 58.291 58.100 -0.107 0.000 1.256 511 Y CB 0.364 38.761 38.460 -0.105 0.000 1.112 511 Y HN 0.203 nan 8.280 nan 0.000 0.521 512 G N 0.328 109.134 108.800 0.010 0.000 2.176 512 G HA2 -0.130 3.831 3.960 0.001 0.000 0.252 512 G HA3 -0.130 3.831 3.960 0.001 0.000 0.252 512 G C 0.074 174.978 174.900 0.006 0.000 1.024 512 G CA 0.189 45.287 45.100 -0.002 0.000 0.755 512 G HN 0.652 nan 8.290 nan 0.000 0.507 513 A N -0.471 122.347 122.820 -0.004 0.000 2.374 513 A HA 0.949 5.270 4.320 0.001 0.000 0.317 513 A C 0.365 177.923 177.584 -0.044 0.000 1.094 513 A CA 0.548 52.575 52.037 -0.017 0.000 0.765 513 A CB 1.466 20.451 19.000 -0.025 0.000 1.268 513 A HN 1.824 nan 8.150 nan 0.000 0.438 514 S N 0.259 115.945 115.700 -0.022 0.000 2.690 514 S HA 0.805 5.275 4.470 0.001 0.000 0.291 514 S C 0.057 174.641 174.600 -0.026 0.000 1.138 514 S CA 0.013 58.200 58.200 -0.020 0.000 1.013 514 S CB 1.171 64.381 63.200 0.016 0.000 1.053 514 S HN 1.972 nan 8.310 nan 0.000 0.539 515 V N -1.217 118.685 119.914 -0.019 0.000 3.074 515 V HA 0.828 4.949 4.120 0.001 0.000 0.314 515 V C 0.172 176.366 176.094 0.165 0.000 1.117 515 V CA -0.796 61.520 62.300 0.027 0.000 1.014 515 V CB 1.133 32.845 31.823 -0.184 0.000 1.057 515 V HN 1.246 nan 8.190 nan 0.000 0.438 516 S N 1.673 117.543 115.700 0.282 0.000 2.558 516 S HA 0.368 4.839 4.470 0.001 0.000 0.288 516 S C 1.308 176.087 174.600 0.297 0.000 1.318 516 S CA 0.159 58.517 58.200 0.263 0.000 1.056 516 S CB 0.965 64.319 63.200 0.256 0.000 0.853 516 S HN 1.986 nan 8.310 nan 0.000 0.505 517 A N 2.341 125.272 122.820 0.186 0.000 2.015 517 A HA 0.026 4.347 4.320 0.001 0.000 0.219 517 A C 1.176 178.839 177.584 0.131 0.000 1.163 517 A CA 1.067 53.205 52.037 0.169 0.000 0.646 517 A CB -0.337 18.730 19.000 0.112 0.000 0.806 517 A HN 0.848 nan 8.150 nan 0.000 0.448 518 K N 0.941 121.381 120.400 0.065 0.000 2.234 518 K HA 0.354 4.675 4.320 0.001 0.000 0.277 518 K C -2.929 173.505 176.600 -0.276 0.000 1.038 518 K CA -2.457 53.788 56.287 -0.069 0.000 0.888 518 K CB 0.803 33.272 32.500 -0.051 0.000 1.091 518 K HN -0.039 nan 8.250 nan 0.000 0.467 519 P HA -0.070 nan 4.420 nan 0.000 0.262 519 P C -1.218 175.475 177.300 -1.013 0.000 1.182 519 P CA 0.525 62.688 63.100 -1.560 0.000 0.761 519 P CB 0.376 31.322 31.700 -1.258 0.000 0.795 520 E N 2.564 122.082 120.200 -1.137 0.000 3.898 520 E HA 0.188 4.539 4.350 0.001 0.000 0.219 520 E C -0.458 176.137 176.600 -0.008 0.000 1.207 520 E CA -0.273 55.957 56.400 -0.284 0.000 1.240 520 E CB 0.212 29.917 29.700 0.009 0.000 1.239 520 E HN 0.368 nan 8.360 nan 0.000 0.422 521 L N 2.219 123.406 121.223 -0.061 0.000 2.410 521 L HA 0.250 4.591 4.340 0.001 0.000 0.273 521 L C -1.903 175.075 176.870 0.181 0.000 1.152 521 L CA -1.632 53.292 54.840 0.139 0.000 0.855 521 L CB -0.068 42.010 42.059 0.032 0.000 1.129 521 L HN 0.041 nan 8.230 nan 0.000 0.463 522 P HA 0.197 nan 4.420 nan 0.000 0.272 522 P C -0.274 177.192 177.300 0.276 0.000 1.230 522 P CA -0.403 62.851 63.100 0.256 0.000 0.788 522 P CB 0.646 32.490 31.700 0.240 0.000 0.949 523 L N 0.579 121.944 121.223 0.237 0.000 2.543 523 L HA 0.354 4.695 4.340 0.001 0.000 0.231 523 L C 0.591 177.466 176.870 0.010 0.000 1.194 523 L CA -0.583 54.284 54.840 0.045 0.000 0.823 523 L CB -0.012 41.925 42.059 -0.203 0.000 1.374 523 L HN 0.293 nan 8.230 nan 0.000 0.507 524 F N -0.030 119.744 119.950 -0.293 0.000 2.408 524 F HA 0.447 4.975 4.527 0.001 0.000 0.344 524 F C -0.843 174.707 175.800 -0.417 0.000 1.112 524 F CA -0.367 57.502 58.000 -0.218 0.000 1.096 524 F CB 0.514 39.417 39.000 -0.161 0.000 1.129 524 F HN 0.042 nan 8.300 nan 0.000 0.486 525 Y N 2.313 122.261 120.300 -0.587 0.000 2.545 525 Y HA 0.611 5.162 4.550 0.001 0.000 0.348 525 Y C 0.180 175.755 175.900 -0.541 0.000 1.002 525 Y CA -0.737 57.123 58.100 -0.401 0.000 1.039 525 Y CB 2.240 40.574 38.460 -0.210 0.000 1.271 525 Y HN 0.694 nan 8.280 nan 0.000 0.467 526 T N -2.570 111.941 114.554 -0.072 0.000 2.812 526 T HA 0.408 4.758 4.350 0.001 0.000 0.294 526 T C -2.666 171.992 174.700 -0.071 0.000 1.159 526 T CA -2.376 59.679 62.100 -0.075 0.000 1.008 526 T CB 1.927 70.845 68.868 0.083 0.000 1.289 526 T HN 0.191 nan 8.240 nan 0.000 0.514 527 P HA 0.007 nan 4.420 nan 0.000 0.222 527 P C 1.678 178.820 177.300 -0.263 0.000 1.147 527 P CA 0.407 63.423 63.100 -0.141 0.000 0.790 527 P CB -0.135 31.524 31.700 -0.067 0.000 0.780 528 V N 0.547 120.144 119.914 -0.529 0.000 2.392 528 V HA -0.243 3.877 4.120 0.001 0.000 0.249 528 V C 1.723 177.700 176.094 -0.195 0.000 1.059 528 V CA 2.043 63.986 62.300 -0.595 0.000 1.051 528 V CB -1.201 30.018 31.823 -1.006 0.000 0.658 528 V HN 0.167 nan 8.190 nan 0.000 0.455 529 D N 0.102 120.474 120.400 -0.045 0.000 2.309 529 D HA -0.074 4.566 4.640 0.001 0.000 0.212 529 D C 1.826 178.163 176.300 0.061 0.000 0.968 529 D CA 0.935 54.986 54.000 0.084 0.000 0.882 529 D CB -0.042 40.884 40.800 0.210 0.000 0.918 529 D HN 0.402 nan 8.370 nan 0.000 0.503 530 L N 0.329 121.565 121.223 0.020 0.000 2.558 530 L HA 0.066 4.407 4.340 0.001 0.000 0.225 530 L C 0.565 177.460 176.870 0.040 0.000 1.128 530 L CA -0.096 54.760 54.840 0.026 0.000 0.868 530 L CB 0.231 42.298 42.059 0.013 0.000 1.006 530 L HN -0.224 nan 8.230 nan 0.000 0.454 531 V N 1.244 121.185 119.914 0.046 0.000 2.599 531 V HA -0.091 4.030 4.120 0.001 0.000 0.300 531 V C 0.370 176.500 176.094 0.060 0.000 1.034 531 V CA 0.140 62.480 62.300 0.066 0.000 1.115 531 V CB 0.661 32.532 31.823 0.080 0.000 0.934 531 V HN 0.135 nan 8.190 nan 0.000 0.485 532 D N 5.203 125.636 120.400 0.054 0.000 2.325 532 D HA 0.206 4.847 4.640 0.001 0.000 0.251 532 D C 0.560 176.892 176.300 0.053 0.000 1.196 532 D CA -0.291 53.739 54.000 0.050 0.000 0.866 532 D CB 1.077 41.901 40.800 0.039 0.000 1.101 532 D HN 0.600 nan 8.370 nan 0.000 0.476 533 I N 0.990 121.598 120.570 0.064 0.000 3.762 533 I HA 0.197 4.368 4.170 0.001 0.000 0.333 533 I C 0.409 176.560 176.117 0.056 0.000 1.566 533 I CA -0.736 60.601 61.300 0.062 0.000 1.129 533 I CB 0.142 38.200 38.000 0.097 0.000 1.218 533 I HN 0.072 nan 8.210 nan 0.000 0.456 534 S N 0.870 116.605 115.700 0.059 0.000 2.614 534 S HA 0.673 5.144 4.470 0.001 0.000 0.265 534 S C -0.307 174.325 174.600 0.052 0.000 1.303 534 S CA -0.445 57.800 58.200 0.074 0.000 1.000 534 S CB 2.455 65.698 63.200 0.072 0.000 0.935 534 S HN 0.296 nan 8.310 nan 0.000 0.551 535 V N 0.469 120.431 119.914 0.081 0.000 3.048 535 V HA 0.563 4.683 4.120 0.001 0.000 0.303 535 V C -1.490 174.678 176.094 0.124 0.000 1.214 535 V CA -0.665 61.661 62.300 0.043 0.000 0.984 535 V CB 2.060 33.850 31.823 -0.056 0.000 1.054 535 V HN 1.125 nan 8.190 nan 0.000 0.430 536 E N 5.217 125.465 120.200 0.081 0.000 2.183 536 E HA 0.673 5.024 4.350 0.001 0.000 0.271 536 E C -1.174 175.474 176.600 0.079 0.000 0.919 536 E CA -0.726 55.746 56.400 0.119 0.000 0.781 536 E CB 1.784 31.523 29.700 0.066 0.000 1.140 536 E HN 0.751 nan 8.360 nan 0.000 0.402 537 M N 3.397 123.086 119.600 0.148 0.000 2.322 537 M HA 0.412 4.892 4.480 0.001 0.000 0.286 537 M C -0.966 175.409 176.300 0.125 0.000 1.111 537 M CA -0.068 55.267 55.300 0.059 0.000 0.941 537 M CB 1.705 34.245 32.600 -0.100 0.000 1.671 537 M HN 0.731 nan 8.290 nan 0.000 0.470 538 A N 2.979 125.845 122.820 0.076 0.000 2.783 538 A HA -0.040 4.281 4.320 0.001 0.000 0.292 538 A C 1.166 178.807 177.584 0.095 0.000 1.495 538 A CA 1.726 53.829 52.037 0.110 0.000 0.787 538 A CB -2.610 16.539 19.000 0.248 0.000 1.017 538 A HN 2.491 nan 8.150 nan 0.000 0.516 539 G N -3.123 105.718 108.800 0.068 0.000 2.184 539 G HA2 -0.222 3.738 3.960 0.001 0.000 0.264 539 G HA3 -0.222 3.738 3.960 0.001 0.000 0.264 539 G C 0.086 175.005 174.900 0.032 0.000 0.975 539 G CA 0.626 45.752 45.100 0.044 0.000 0.642 539 G HN 1.482 nan 8.290 nan 0.000 0.536 540 L N -0.010 121.248 121.223 0.058 0.000 2.322 540 L HA 0.563 4.904 4.340 0.001 0.000 0.279 540 L C 0.424 177.266 176.870 -0.048 0.000 1.036 540 L CA -0.865 53.948 54.840 -0.046 0.000 0.807 540 L CB 1.598 43.591 42.059 -0.111 0.000 1.226 540 L HN -0.048 nan 8.230 nan 0.000 0.433 541 K N 2.897 123.200 120.400 -0.162 0.000 2.263 541 K HA 0.475 4.795 4.320 0.001 0.000 0.272 541 K C -1.361 175.124 176.600 -0.191 0.000 1.033 541 K CA -0.339 55.905 56.287 -0.071 0.000 0.884 541 K CB 1.092 33.565 32.500 -0.044 0.000 1.107 541 K HN 0.215 nan 8.250 nan 0.000 0.460 542 F N 3.345 123.285 119.950 -0.015 0.000 2.427 542 F HA 0.236 4.764 4.527 0.001 0.000 0.346 542 F C 1.654 177.475 175.800 0.034 0.000 1.120 542 F CA -1.026 56.983 58.000 0.015 0.000 1.033 542 F CB 0.800 39.798 39.000 -0.003 0.000 1.126 542 F HN 0.466 nan 8.300 nan 0.000 0.462 543 I N 0.102 120.786 120.570 0.190 0.000 2.493 543 I HA -0.045 4.126 4.170 0.001 0.000 0.254 543 I C -0.143 176.072 176.117 0.164 0.000 1.160 543 I CA 0.735 62.117 61.300 0.137 0.000 1.445 543 I CB -0.386 37.671 38.000 0.095 0.000 1.086 543 I HN 0.648 nan 8.210 nan 0.000 0.433 544 N N -0.550 118.288 118.700 0.230 0.000 2.591 544 N HA 0.359 5.100 4.740 0.001 0.000 0.263 544 N C -2.600 173.023 175.510 0.189 0.000 1.308 544 N CA -1.687 51.482 53.050 0.197 0.000 0.837 544 N CB 0.958 39.596 38.487 0.251 0.000 1.548 544 N HN -0.286 nan 8.380 nan 0.000 0.493 545 P HA 0.123 nan 4.420 nan 0.000 0.245 545 P C -0.868 176.310 177.300 -0.203 0.000 1.212 545 P CA 0.397 63.344 63.100 -0.254 0.000 0.774 545 P CB -0.174 31.239 31.700 -0.477 0.000 0.999 546 F N 0.838 120.919 119.950 0.218 0.000 2.408 546 F HA 0.649 5.177 4.527 0.001 0.000 0.344 546 F C 1.304 177.146 175.800 0.070 0.000 1.112 546 F CA -0.272 57.823 58.000 0.157 0.000 1.096 546 F CB 1.585 40.586 39.000 0.002 0.000 1.129 546 F HN -0.139 nan 8.300 nan 0.000 0.486 547 G N 2.393 111.117 108.800 -0.127 0.000 2.690 547 G HA2 0.618 4.579 3.960 0.001 0.000 0.291 547 G HA3 0.618 4.579 3.960 0.001 0.000 0.291 547 G C -1.792 172.842 174.900 -0.444 0.000 1.403 547 G CA -1.001 43.547 45.100 -0.920 0.000 0.864 547 G HN 0.530 nan 8.290 nan 0.000 0.480 548 L N 1.319 122.217 121.223 -0.542 0.000 2.319 548 L HA 0.541 4.882 4.340 0.001 0.000 0.280 548 L C 1.145 177.887 176.870 -0.213 0.000 1.099 548 L CA -0.631 53.925 54.840 -0.472 0.000 0.828 548 L CB 1.286 42.996 42.059 -0.580 0.000 1.150 548 L HN 0.689 nan 8.230 nan 0.000 0.442 549 A N 2.635 125.384 122.820 -0.118 0.000 2.327 549 A HA 0.216 4.536 4.320 0.001 0.000 0.255 549 A C 0.462 178.024 177.584 -0.037 0.000 1.099 549 A CA -0.278 51.743 52.037 -0.025 0.000 0.801 549 A CB 0.580 19.573 19.000 -0.011 0.000 1.062 549 A HN 0.636 nan 8.150 nan 0.000 0.496 550 S N -0.012 115.683 115.700 -0.009 0.000 2.437 550 S HA 0.500 4.971 4.470 0.001 0.000 0.304 550 S C 0.134 174.713 174.600 -0.035 0.000 1.167 550 S CA 0.475 58.654 58.200 -0.035 0.000 1.106 550 S CB -1.184 61.999 63.200 -0.029 0.000 1.099 550 S HN 1.877 nan 8.310 nan 0.000 0.524 551 A N 4.119 126.915 122.820 -0.040 0.000 2.799 551 A HA 0.783 5.104 4.320 0.001 0.000 0.308 551 A C 0.921 178.490 177.584 -0.026 0.000 1.108 551 A CA -0.096 51.920 52.037 -0.035 0.000 0.600 551 A CB -0.546 18.427 19.000 -0.045 0.000 1.452 551 A HN 1.183 nan 8.150 nan 0.000 0.617 552 A N -0.363 122.428 122.820 -0.048 0.000 1.917 552 A HA 0.021 4.341 4.320 0.001 0.000 0.219 552 A C -0.454 177.111 177.584 -0.032 0.000 1.182 552 A CA 2.683 54.690 52.037 -0.050 0.000 0.633 552 A CB -1.870 17.067 19.000 -0.106 0.000 0.819 552 A HN 0.487 nan 8.150 nan 0.000 0.448 553 P HA -0.054 nan 4.420 nan 0.000 0.228 553 P C 0.754 178.104 177.300 0.084 0.000 1.151 553 P CA 1.703 64.810 63.100 0.013 0.000 0.770 553 P CB -0.091 31.614 31.700 0.008 0.000 0.786 554 T N -6.770 107.810 114.554 0.044 0.000 3.293 554 T HA 0.182 4.532 4.350 0.001 0.000 0.276 554 T C 1.152 175.994 174.700 0.237 0.000 1.003 554 T CA -0.217 61.938 62.100 0.091 0.000 0.916 554 T CB -0.958 67.909 68.868 -0.001 0.000 1.134 554 T HN -0.153 nan 8.240 nan 0.000 0.530 555 T N 2.211 116.876 114.554 0.186 0.000 2.759 555 T HA 0.012 4.363 4.350 0.001 0.000 0.269 555 T C 0.681 175.565 174.700 0.308 0.000 1.042 555 T CA 1.033 63.263 62.100 0.215 0.000 1.140 555 T CB -0.053 68.867 68.868 0.087 0.000 0.864 555 T HN 0.510 nan 8.240 nan 0.000 0.455 556 S N -0.125 115.720 115.700 0.242 0.000 2.548 556 S HA 0.356 4.827 4.470 0.001 0.000 0.286 556 S C 1.166 175.859 174.600 0.154 0.000 1.098 556 S CA -0.666 57.623 58.200 0.147 0.000 0.930 556 S CB 2.051 65.286 63.200 0.058 0.000 1.070 556 S HN 0.372 nan 8.310 nan 0.000 0.480 557 S N 1.375 117.076 115.700 0.001 0.000 2.419 557 S HA -0.143 4.327 4.470 0.001 0.000 0.233 557 S C 1.910 176.480 174.600 -0.050 0.000 1.016 557 S CA 1.306 59.484 58.200 -0.037 0.000 0.974 557 S CB -0.663 62.371 63.200 -0.278 0.000 0.786 557 S HN 0.801 nan 8.310 nan 0.000 0.492 558 S N 2.086 117.775 115.700 -0.019 0.000 2.419 558 S HA -0.011 4.460 4.470 0.001 0.000 0.233 558 S C 1.861 176.460 174.600 -0.002 0.000 1.016 558 S CA 1.143 59.340 58.200 -0.005 0.000 0.974 558 S CB -0.703 62.509 63.200 0.020 0.000 0.786 558 S HN 0.515 nan 8.310 nan 0.000 0.492 559 M N 0.890 120.506 119.600 0.027 0.000 2.200 559 M HA 0.161 4.642 4.480 0.001 0.000 0.265 559 M C 2.113 178.309 176.300 -0.174 0.000 1.066 559 M CA 1.280 56.638 55.300 0.097 0.000 1.127 559 M CB -0.534 32.187 32.600 0.202 0.000 1.379 559 M HN 0.272 nan 8.290 nan 0.000 0.420 560 I N -0.284 120.120 120.570 -0.276 0.000 2.286 560 I HA -0.297 3.874 4.170 0.001 0.000 0.248 560 I C 2.669 178.281 176.117 -0.843 0.000 1.115 560 I CA 1.221 62.137 61.300 -0.640 0.000 1.392 560 I CB -0.515 37.172 38.000 -0.521 0.000 1.065 560 I HN 0.323 nan 8.210 nan 0.000 0.418 561 R N 1.433 121.650 120.500 -0.471 0.000 2.083 561 R HA -0.175 4.166 4.340 0.001 0.000 0.237 561 R C 2.438 178.557 176.300 -0.302 0.000 1.137 561 R CA 1.589 57.474 56.100 -0.358 0.000 0.951 561 R CB -0.148 30.140 30.300 -0.020 0.000 0.851 561 R HN 0.261 nan 8.270 nan 0.000 0.434 562 R N -0.208 120.182 120.500 -0.183 0.000 2.115 562 R HA -0.046 4.294 4.340 0.001 0.000 0.230 562 R C 2.307 178.484 176.300 -0.205 0.000 1.111 562 R CA 1.124 57.184 56.100 -0.067 0.000 0.976 562 R CB -0.224 30.140 30.300 0.107 0.000 0.870 562 R HN 0.305 nan 8.270 nan 0.000 0.445 563 A N 0.845 123.282 122.820 -0.638 0.000 1.898 563 A HA -0.133 4.187 4.320 0.001 0.000 0.216 563 A C 1.744 179.277 177.584 -0.085 0.000 1.181 563 A CA 1.072 52.650 52.037 -0.765 0.000 0.620 563 A CB -0.456 17.669 19.000 -1.460 0.000 0.819 563 A HN 0.143 nan 8.150 nan 0.000 0.442 564 F N 0.437 120.166 119.950 -0.367 0.000 2.171 564 F HA -0.075 4.453 4.527 0.001 0.000 0.300 564 F C 2.341 178.030 175.800 -0.186 0.000 1.090 564 F CA 1.103 58.882 58.000 -0.368 0.000 1.293 564 F CB -1.061 37.340 39.000 -0.999 0.000 1.013 564 F HN 0.375 nan 8.300 nan 0.000 0.486 565 E N -0.217 120.010 120.200 0.044 0.000 2.153 565 E HA -0.139 4.212 4.350 0.001 0.000 0.194 565 E C 2.305 178.999 176.600 0.158 0.000 0.988 565 E CA 0.961 57.472 56.400 0.185 0.000 0.811 565 E CB -0.223 29.589 29.700 0.187 0.000 0.746 565 E HN 0.302 nan 8.360 nan 0.000 0.466 566 A N -0.041 122.867 122.820 0.146 0.000 2.066 566 A HA 0.130 4.450 4.320 0.001 0.000 0.218 566 A C 1.833 179.478 177.584 0.102 0.000 1.157 566 A CA 1.261 53.388 52.037 0.149 0.000 0.670 566 A CB -0.025 19.110 19.000 0.226 0.000 0.804 566 A HN 0.373 nan 8.150 nan 0.000 0.453 567 G N -3.620 105.264 108.800 0.141 0.000 2.227 567 G HA2 -0.167 3.793 3.960 0.001 0.000 0.168 567 G HA3 -0.167 3.793 3.960 0.001 0.000 0.168 567 G C -0.239 174.707 174.900 0.077 0.000 1.006 567 G CA -0.360 44.786 45.100 0.076 0.000 0.684 567 G HN 0.295 nan 8.290 nan 0.000 0.489 568 W N 1.068 122.411 121.300 0.072 0.000 2.223 568 W HA 0.465 5.126 4.660 0.001 0.000 0.334 568 W C 1.594 178.202 176.519 0.149 0.000 1.334 568 W CA 1.092 58.502 57.345 0.107 0.000 1.246 568 W CB 0.885 30.369 29.460 0.040 0.000 1.184 568 W HN 0.200 nan 8.180 nan 0.000 0.563 569 G N 2.505 111.541 108.800 0.394 0.000 2.422 569 G HA2 -0.019 3.942 3.960 0.001 0.000 0.218 569 G HA3 -0.019 3.942 3.960 0.001 0.000 0.218 569 G C -0.133 175.062 174.900 0.492 0.000 1.146 569 G CA 0.966 46.308 45.100 0.404 0.000 0.769 569 G HN 0.511 nan 8.290 nan 0.000 0.547 570 F N -2.463 117.753 119.950 0.444 0.000 2.745 570 F HA 0.814 5.342 4.527 0.001 0.000 0.316 570 F C -0.708 175.397 175.800 0.509 0.000 1.155 570 F CA -1.533 56.730 58.000 0.437 0.000 0.937 570 F CB 1.215 40.503 39.000 0.480 0.000 1.361 570 F HN 0.274 nan 8.300 nan 0.000 0.472 571 A N 1.617 124.773 122.820 0.560 0.000 2.589 571 A HA 0.680 5.001 4.320 0.001 0.000 0.296 571 A C -2.353 175.392 177.584 0.268 0.000 1.062 571 A CA -0.737 51.413 52.037 0.187 0.000 0.686 571 A CB 1.603 20.553 19.000 -0.083 0.000 1.282 571 A HN 0.798 nan 8.150 nan 0.000 0.404 572 L N 2.183 123.487 121.223 0.134 0.000 2.322 572 L HA 0.574 4.915 4.340 0.001 0.000 0.279 572 L C 1.168 178.029 176.870 -0.016 0.000 1.036 572 L CA -0.047 54.863 54.840 0.117 0.000 0.807 572 L CB 1.516 43.637 42.059 0.103 0.000 1.226 572 L HN 1.059 nan 8.230 nan 0.000 0.433 573 T N -0.050 114.457 114.554 -0.079 0.000 2.828 573 T HA 0.238 4.589 4.350 0.001 0.000 0.290 573 T C 0.146 174.572 174.700 -0.457 0.000 1.019 573 T CA -0.730 61.133 62.100 -0.395 0.000 1.031 573 T CB 1.280 69.797 68.868 -0.585 0.000 1.001 573 T HN 0.398 nan 8.240 nan 0.000 0.531 574 K N 1.164 121.159 120.400 -0.676 0.000 2.355 574 K HA 0.173 4.494 4.320 0.001 0.000 0.270 574 K C -0.027 176.351 176.600 -0.370 0.000 1.003 574 K CA 0.091 56.187 56.287 -0.319 0.000 0.957 574 K CB -0.265 32.202 32.500 -0.055 0.000 0.939 574 K HN 0.721 nan 8.250 nan 0.000 0.482 575 T N 5.385 119.832 114.554 -0.178 0.000 2.871 575 T HA 0.201 4.552 4.350 0.001 0.000 0.296 575 T C -0.191 174.453 174.700 -0.094 0.000 0.998 575 T CA 0.360 62.356 62.100 -0.173 0.000 1.162 575 T CB -0.570 68.239 68.868 -0.099 0.000 0.947 575 T HN 0.448 nan 8.240 nan 0.000 0.536 576 F N 0.542 120.371 119.950 -0.201 0.000 2.618 576 F HA 0.887 5.414 4.527 0.001 0.000 0.332 576 F C 0.120 175.887 175.800 -0.055 0.000 1.061 576 F CA -1.267 56.683 58.000 -0.084 0.000 0.974 576 F CB 1.330 40.318 39.000 -0.020 0.000 1.310 576 F HN 0.559 nan 8.300 nan 0.000 0.491 577 S N 0.476 116.307 115.700 0.219 0.000 2.776 577 S HA 0.684 5.155 4.470 0.001 0.000 0.292 577 S C -1.067 173.607 174.600 0.123 0.000 1.187 577 S CA -1.152 57.070 58.200 0.036 0.000 0.834 577 S CB 1.008 64.174 63.200 -0.056 0.000 1.199 577 S HN 0.859 nan 8.310 nan 0.000 0.514 578 L N 1.550 122.780 121.223 0.012 0.000 2.473 578 L HA 0.241 4.582 4.340 0.001 0.000 0.268 578 L C 0.999 177.888 176.870 0.032 0.000 1.215 578 L CA -0.451 54.404 54.840 0.026 0.000 0.823 578 L CB 0.081 42.120 42.059 -0.034 0.000 1.099 578 L HN 0.713 nan 8.230 nan 0.000 0.483 579 D N 0.749 121.171 120.400 0.036 0.000 2.133 579 D HA -0.208 4.433 4.640 0.001 0.000 0.195 579 D C 1.900 178.206 176.300 0.010 0.000 0.997 579 D CA 1.679 55.696 54.000 0.028 0.000 0.840 579 D CB -0.023 40.789 40.800 0.021 0.000 0.947 579 D HN 0.556 nan 8.370 nan 0.000 0.452 580 K N 0.199 120.598 120.400 -0.003 0.000 2.360 580 K HA -0.104 4.217 4.320 0.001 0.000 0.201 580 K C 0.336 176.929 176.600 -0.012 0.000 1.046 580 K CA 1.160 57.441 56.287 -0.010 0.000 0.945 580 K CB 0.143 32.632 32.500 -0.018 0.000 0.750 580 K HN 0.003 nan 8.250 nan 0.000 0.464 581 D N 1.189 121.580 120.400 -0.014 0.000 2.388 581 D HA 0.116 4.756 4.640 0.001 0.000 0.221 581 D C 0.327 176.628 176.300 0.000 0.000 1.133 581 D CA -0.271 53.718 54.000 -0.017 0.000 0.831 581 D CB 0.099 40.872 40.800 -0.045 0.000 0.962 581 D HN 0.276 nan 8.370 nan 0.000 0.502 582 I N 2.078 122.655 120.570 0.011 0.000 2.845 582 I HA -0.119 4.051 4.170 0.001 0.000 0.296 582 I C 0.180 176.305 176.117 0.013 0.000 1.216 582 I CA 0.144 61.457 61.300 0.021 0.000 1.438 582 I CB 0.446 38.456 38.000 0.017 0.000 1.342 582 I HN -0.216 nan 8.210 nan 0.000 0.577 583 V N 3.829 123.754 119.914 0.018 0.000 3.096 583 V HA 0.713 4.833 4.120 0.001 0.000 0.319 583 V C -0.255 175.842 176.094 0.006 0.000 1.103 583 V CA -0.406 61.900 62.300 0.010 0.000 1.016 583 V CB 1.885 33.715 31.823 0.012 0.000 1.090 583 V HN 0.755 nan 8.190 nan 0.000 0.449 584 T N 2.665 117.218 114.554 -0.001 0.000 2.949 584 T HA 0.438 4.789 4.350 0.001 0.000 0.300 584 T C -0.466 174.228 174.700 -0.010 0.000 0.988 584 T CA -0.415 61.681 62.100 -0.007 0.000 0.993 584 T CB 0.767 69.629 68.868 -0.009 0.000 0.984 584 T HN 0.824 nan 8.240 nan 0.000 0.442 585 N N 1.646 120.339 118.700 -0.012 0.000 2.399 585 N HA 0.447 5.187 4.740 0.001 0.000 0.250 585 N C 0.304 175.800 175.510 -0.024 0.000 1.272 585 N CA -0.253 52.786 53.050 -0.018 0.000 0.928 585 N CB 1.161 39.636 38.487 -0.019 0.000 1.158 585 N HN 0.523 nan 8.380 nan 0.000 0.463 586 V N -2.138 117.757 119.914 -0.032 0.000 3.177 586 V HA 0.891 5.011 4.120 0.001 0.000 0.319 586 V C -0.062 176.004 176.094 -0.046 0.000 1.125 586 V CA -0.821 61.457 62.300 -0.037 0.000 1.029 586 V CB 1.552 33.350 31.823 -0.043 0.000 1.119 586 V HN 0.783 nan 8.190 nan 0.000 0.452 587 S N 0.281 115.952 115.700 -0.048 0.000 2.536 587 S HA 0.729 5.199 4.470 0.001 0.000 0.271 587 S C -2.910 171.652 174.600 -0.063 0.000 1.134 587 S CA -0.990 57.176 58.200 -0.057 0.000 0.897 587 S CB 1.507 64.689 63.200 -0.031 0.000 1.094 587 S HN 1.051 nan 8.310 nan 0.000 0.473 588 P HA 0.412 nan 4.420 nan 0.000 0.272 588 P C -0.227 176.946 177.300 -0.213 0.000 1.230 588 P CA -0.554 62.441 63.100 -0.174 0.000 0.788 588 P CB 0.706 32.212 31.700 -0.323 0.000 0.949 589 R N 0.203 120.597 120.500 -0.177 0.000 2.551 589 R HA 0.418 4.759 4.340 0.001 0.000 0.316 589 R C 0.020 176.244 176.300 -0.126 0.000 0.934 589 R CA -0.197 55.813 56.100 -0.149 0.000 1.117 589 R CB 0.136 30.381 30.300 -0.091 0.000 1.626 589 R HN 0.272 nan 8.270 nan 0.000 0.513 590 I N 2.668 123.169 120.570 -0.115 0.000 2.478 590 I HA 0.393 4.564 4.170 0.001 0.000 0.287 590 I C -0.575 175.543 176.117 0.002 0.000 1.042 590 I CA -1.402 59.869 61.300 -0.048 0.000 1.067 590 I CB 2.334 40.304 38.000 -0.049 0.000 1.233 590 I HN -0.046 nan 8.210 nan 0.000 0.431 591 V N 3.107 123.054 119.914 0.056 0.000 3.001 591 V HA 0.687 4.807 4.120 0.001 0.000 0.314 591 V C -0.139 176.121 176.094 0.277 0.000 1.099 591 V CA -1.065 61.323 62.300 0.147 0.000 0.989 591 V CB 1.856 33.662 31.823 -0.029 0.000 1.040 591 V HN 0.875 nan 8.190 nan 0.000 0.434 592 R N 1.809 122.461 120.500 0.254 0.000 2.679 592 R HA 0.632 4.973 4.340 0.001 0.000 0.269 592 R C 0.363 176.637 176.300 -0.043 0.000 1.076 592 R CA 0.147 56.263 56.100 0.025 0.000 1.160 592 R CB 0.292 30.593 30.300 0.001 0.000 1.054 592 R HN 1.149 nan 8.270 nan 0.000 0.507 593 G N -0.316 108.351 108.800 -0.221 0.000 2.476 593 G HA2 0.252 4.213 3.960 0.001 0.000 0.269 593 G HA3 0.252 4.213 3.960 0.001 0.000 0.269 593 G C 0.431 175.257 174.900 -0.122 0.000 1.195 593 G CA -0.518 44.502 45.100 -0.134 0.000 0.843 593 G HN 0.749 nan 8.290 nan 0.000 0.545 594 T N -2.528 111.987 114.554 -0.066 0.000 3.134 594 T HA 0.051 4.401 4.350 0.001 0.000 0.260 594 T C 1.910 176.569 174.700 -0.068 0.000 1.027 594 T CA 0.608 62.666 62.100 -0.070 0.000 0.913 594 T CB -0.015 68.843 68.868 -0.018 0.000 1.046 594 T HN 0.539 nan 8.240 nan 0.000 0.553 595 T N 0.382 114.894 114.554 -0.071 0.000 3.025 595 T HA -0.044 4.307 4.350 0.001 0.000 0.270 595 T C 1.534 176.197 174.700 -0.062 0.000 1.126 595 T CA 0.946 63.012 62.100 -0.055 0.000 1.105 595 T CB -0.507 68.333 68.868 -0.047 0.000 0.884 595 T HN 0.576 nan 8.240 nan 0.000 0.522 596 S N -0.475 115.173 115.700 -0.087 0.000 2.941 596 S HA 0.616 5.087 4.470 0.001 0.000 0.251 596 S C 0.841 175.385 174.600 -0.093 0.000 1.029 596 S CA -0.246 57.905 58.200 -0.080 0.000 1.062 596 S CB 0.014 63.165 63.200 -0.082 0.000 0.977 596 S HN 1.200 nan 8.310 nan 0.000 0.552 597 G N 2.823 111.565 108.800 -0.096 0.000 2.760 597 G HA2 -0.100 3.860 3.960 0.001 0.000 0.246 597 G HA3 -0.100 3.860 3.960 0.001 0.000 0.246 597 G C -2.778 172.024 174.900 -0.163 0.000 1.359 597 G CA -0.498 44.545 45.100 -0.096 0.000 0.861 597 G HN 0.311 nan 8.290 nan 0.000 0.541 598 P HA 0.240 nan 4.420 nan 0.000 0.232 598 P C -0.304 176.880 177.300 -0.193 0.000 1.738 598 P CA 0.326 63.332 63.100 -0.156 0.000 0.948 598 P CB -0.132 31.615 31.700 0.079 0.000 1.943 599 M N 2.011 121.390 119.600 -0.369 0.000 2.114 599 M HA 0.320 4.801 4.480 0.001 0.000 0.332 599 M C -0.427 175.647 176.300 -0.377 0.000 1.014 599 M CA -0.764 54.411 55.300 -0.208 0.000 0.956 599 M CB 0.976 33.500 32.600 -0.127 0.000 1.551 599 M HN 0.013 nan 8.290 nan 0.000 0.427 600 Y N 0.466 120.752 120.300 -0.024 0.000 2.534 600 Y HA 0.788 5.339 4.550 0.001 0.000 0.329 600 Y C 1.196 177.090 175.900 -0.010 0.000 1.154 600 Y CA 0.233 58.323 58.100 -0.017 0.000 1.192 600 Y CB 1.376 39.828 38.460 -0.013 0.000 1.275 600 Y HN 0.934 nan 8.280 nan 0.000 0.491 601 G N 0.687 109.578 108.800 0.151 0.000 2.464 601 G HA2 -0.152 3.808 3.960 0.001 0.000 0.216 601 G HA3 -0.152 3.808 3.960 0.001 0.000 0.216 601 G C -2.777 172.158 174.900 0.058 0.000 1.186 601 G CA -0.876 44.280 45.100 0.095 0.000 1.010 601 G HN 0.606 nan 8.290 nan 0.000 0.585 602 P HA 0.369 nan 4.420 nan 0.000 0.268 602 P C 0.850 178.164 177.300 0.023 0.000 1.208 602 P CA 1.922 65.045 63.100 0.039 0.000 0.777 602 P CB 0.274 31.991 31.700 0.028 0.000 0.875 603 G N 0.992 109.815 108.800 0.037 0.000 2.338 603 G HA2 -0.207 3.754 3.960 0.001 0.000 0.296 603 G HA3 -0.207 3.754 3.960 0.001 0.000 0.296 603 G C 0.146 175.021 174.900 -0.042 0.000 1.040 603 G CA -0.295 44.817 45.100 0.020 0.000 1.004 603 G HN 0.604 nan 8.290 nan 0.000 0.509 604 Q N 0.172 119.913 119.800 -0.098 0.000 2.300 604 Q HA 0.243 4.584 4.340 0.001 0.000 0.280 604 Q C 1.864 177.719 176.000 -0.242 0.000 1.033 604 Q CA 0.722 56.367 55.803 -0.265 0.000 0.903 604 Q CB 0.975 29.373 28.738 -0.567 0.000 1.195 604 Q HN 0.749 nan 8.270 nan 0.000 0.386 605 S N 0.562 116.143 115.700 -0.199 0.000 2.547 605 S HA -0.002 4.469 4.470 0.001 0.000 0.235 605 S C 0.653 175.180 174.600 -0.123 0.000 0.980 605 S CA 0.486 58.614 58.200 -0.120 0.000 0.941 605 S CB 0.010 63.157 63.200 -0.089 0.000 0.763 605 S HN 0.652 nan 8.310 nan 0.000 0.532 606 S N -1.156 114.389 115.700 -0.258 0.000 2.656 606 S HA 0.703 5.173 4.470 0.001 0.000 0.265 606 S C -1.621 172.730 174.600 -0.415 0.000 1.110 606 S CA -1.171 56.924 58.200 -0.176 0.000 0.821 606 S CB 0.131 63.298 63.200 -0.054 0.000 1.099 606 S HN 0.181 nan 8.310 nan 0.000 0.471 607 F N -0.102 119.861 119.950 0.021 0.000 2.626 607 F HA 0.815 5.343 4.527 0.001 0.000 0.311 607 F C -0.781 175.028 175.800 0.014 0.000 1.088 607 F CA -0.858 57.154 58.000 0.020 0.000 0.949 607 F CB 2.054 41.063 39.000 0.016 0.000 1.322 607 F HN 0.791 nan 8.300 nan 0.000 0.461 608 L N 2.608 123.958 121.223 0.212 0.000 2.408 608 L HA 0.661 5.002 4.340 0.001 0.000 0.268 608 L C -1.501 175.411 176.870 0.069 0.000 0.986 608 L CA -0.331 54.574 54.840 0.108 0.000 0.820 608 L CB 1.847 43.946 42.059 0.067 0.000 1.303 608 L HN 0.845 nan 8.230 nan 0.000 0.411 609 N N 3.606 122.329 118.700 0.038 0.000 2.242 609 N HA 0.532 5.272 4.740 0.001 0.000 0.292 609 N C -0.602 174.902 175.510 -0.010 0.000 1.125 609 N CA -0.872 52.176 53.050 -0.003 0.000 0.783 609 N CB 1.744 40.226 38.487 -0.007 0.000 1.558 609 N HN 0.617 nan 8.380 nan 0.000 0.472 610 I N -2.827 117.721 120.570 -0.036 0.000 3.424 610 I HA 0.426 4.597 4.170 0.001 0.000 0.339 610 I C -0.076 176.022 176.117 -0.032 0.000 1.549 610 I CA -0.634 60.647 61.300 -0.031 0.000 1.049 610 I CB 0.115 38.083 38.000 -0.052 0.000 1.439 610 I HN 0.568 nan 8.210 nan 0.000 0.500 611 E N 1.839 122.024 120.200 -0.026 0.000 2.349 611 E HA 0.486 4.837 4.350 0.001 0.000 0.265 611 E C -0.534 176.060 176.600 -0.010 0.000 1.064 611 E CA -0.490 55.896 56.400 -0.022 0.000 0.886 611 E CB 1.302 30.988 29.700 -0.024 0.000 1.036 611 E HN 0.458 nan 8.360 nan 0.000 0.413 612 L N 3.326 124.546 121.223 -0.005 0.000 2.874 612 L HA 0.439 4.779 4.340 0.001 0.000 0.229 612 L C 1.016 177.892 176.870 0.010 0.000 1.200 612 L CA -1.084 53.757 54.840 0.002 0.000 0.976 612 L CB 0.057 42.117 42.059 0.003 0.000 1.887 612 L HN 0.625 nan 8.230 nan 0.000 0.543 613 I N -2.457 118.121 120.570 0.014 0.000 3.394 613 I HA 0.189 4.360 4.170 0.001 0.000 0.264 613 I C 0.765 176.914 176.117 0.053 0.000 1.184 613 I CA -0.400 60.912 61.300 0.021 0.000 0.890 613 I CB 0.522 38.528 38.000 0.010 0.000 1.619 613 I HN 0.410 nan 8.210 nan 0.000 0.820 614 S N 0.098 115.855 115.700 0.094 0.000 2.552 614 S HA -0.001 4.470 4.470 0.001 0.000 0.289 614 S C 0.752 175.446 174.600 0.157 0.000 1.304 614 S CA -0.056 58.255 58.200 0.185 0.000 1.063 614 S CB 0.096 63.523 63.200 0.379 0.000 0.848 614 S HN 0.697 nan 8.310 nan 0.000 0.499 615 E N 2.383 122.647 120.200 0.108 0.000 2.478 615 E HA 0.061 4.412 4.350 0.001 0.000 0.194 615 E C 0.040 176.650 176.600 0.017 0.000 1.045 615 E CA 0.325 56.751 56.400 0.044 0.000 0.868 615 E CB 0.291 29.992 29.700 0.001 0.000 0.885 615 E HN 0.531 nan 8.360 nan 0.000 0.505 616 K N 1.529 121.956 120.400 0.046 0.000 2.144 616 K HA 0.134 4.455 4.320 0.001 0.000 0.270 616 K C 0.333 176.983 176.600 0.084 0.000 1.005 616 K CA -0.287 55.926 56.287 -0.124 0.000 0.932 616 K CB 1.221 33.377 32.500 -0.573 0.000 1.021 616 K HN -0.024 nan 8.250 nan 0.000 0.462 617 T N -1.399 113.158 114.554 0.006 0.000 2.813 617 T HA 0.142 4.492 4.350 0.001 0.000 0.297 617 T C 1.327 176.113 174.700 0.143 0.000 1.036 617 T CA -0.251 61.906 62.100 0.095 0.000 1.044 617 T CB 1.247 70.139 68.868 0.039 0.000 0.993 617 T HN 0.584 nan 8.240 nan 0.000 0.535 618 A N 1.357 124.257 122.820 0.135 0.000 1.972 618 A HA 0.206 4.527 4.320 0.001 0.000 0.219 618 A C 2.645 180.191 177.584 -0.063 0.000 1.169 618 A CA 1.647 53.698 52.037 0.023 0.000 0.635 618 A CB -1.484 17.654 19.000 0.230 0.000 0.810 618 A HN 1.241 nan 8.150 nan 0.000 0.446 619 A N -1.174 121.649 122.820 0.005 0.000 1.902 619 A HA -0.115 4.206 4.320 0.001 0.000 0.217 619 A C 2.131 179.683 177.584 -0.053 0.000 1.181 619 A CA 1.654 53.683 52.037 -0.014 0.000 0.623 619 A CB -0.837 18.166 19.000 0.005 0.000 0.818 619 A HN 0.797 nan 8.150 nan 0.000 0.443 620 Y N -1.242 118.938 120.300 -0.199 0.000 2.145 620 Y HA -0.253 4.298 4.550 0.001 0.000 0.286 620 Y C 2.151 177.810 175.900 -0.402 0.000 1.145 620 Y CA 1.930 59.839 58.100 -0.319 0.000 1.148 620 Y CB -0.533 37.669 38.460 -0.430 0.000 0.981 620 Y HN 0.424 nan 8.280 nan 0.000 0.507 621 W N -0.633 120.530 121.300 -0.229 0.000 2.358 621 W HA -0.186 4.475 4.660 0.001 0.000 0.303 621 W C 2.680 178.942 176.519 -0.428 0.000 1.208 621 W CA 1.286 58.350 57.345 -0.468 0.000 1.274 621 W CB -0.760 28.125 29.460 -0.958 0.000 1.138 621 W HN 0.111 nan 8.180 nan 0.000 0.515 622 C N -1.141 118.062 119.300 -0.162 0.000 2.446 622 C HA -0.192 4.269 4.460 0.001 0.000 0.277 622 C C 2.624 177.580 174.990 -0.057 0.000 1.275 622 C CA 1.231 60.220 59.018 -0.050 0.000 1.727 622 C CB -1.265 26.469 27.740 -0.009 0.000 2.010 622 C HN 0.429 nan 8.230 nan 0.000 0.486 623 Q N 0.742 120.467 119.800 -0.126 0.000 2.119 623 Q HA -0.154 4.186 4.340 0.001 0.000 0.201 623 Q C 2.225 178.128 176.000 -0.162 0.000 0.972 623 Q CA 1.665 57.391 55.803 -0.128 0.000 0.847 623 Q CB -0.072 28.575 28.738 -0.151 0.000 0.903 623 Q HN 0.609 nan 8.270 nan 0.000 0.433 624 S N -0.227 115.297 115.700 -0.292 0.000 2.368 624 S HA -0.128 4.343 4.470 0.001 0.000 0.225 624 S C 1.931 176.498 174.600 -0.055 0.000 1.030 624 S CA 1.279 59.304 58.200 -0.291 0.000 0.999 624 S CB -0.198 62.660 63.200 -0.570 0.000 0.844 624 S HN 0.257 nan 8.310 nan 0.000 0.459 625 V N 1.646 121.578 119.914 0.031 0.000 2.343 625 V HA -0.186 3.935 4.120 0.001 0.000 0.247 625 V C 2.506 178.657 176.094 0.096 0.000 1.051 625 V CA 2.092 64.463 62.300 0.119 0.000 1.036 625 V CB -1.323 30.593 31.823 0.155 0.000 0.654 625 V HN 0.510 nan 8.190 nan 0.000 0.451 626 T N -0.293 114.291 114.554 0.050 0.000 2.684 626 T HA -0.229 4.122 4.350 0.001 0.000 0.267 626 T C 1.789 176.518 174.700 0.048 0.000 1.036 626 T CA 1.869 63.996 62.100 0.044 0.000 1.148 626 T CB -0.257 68.620 68.868 0.016 0.000 0.863 626 T HN 0.617 nan 8.240 nan 0.000 0.436 627 E N 0.761 120.978 120.200 0.029 0.000 2.051 627 E HA -0.073 4.278 4.350 0.001 0.000 0.192 627 E C 2.292 178.964 176.600 0.120 0.000 0.991 627 E CA 0.958 57.382 56.400 0.040 0.000 0.799 627 E CB -0.340 29.360 29.700 -0.000 0.000 0.748 627 E HN 0.396 nan 8.360 nan 0.000 0.449 628 L N 0.944 122.272 121.223 0.175 0.000 2.046 628 L HA -0.193 4.147 4.340 0.001 0.000 0.208 628 L C 2.448 179.546 176.870 0.380 0.000 1.077 628 L CA 1.030 56.082 54.840 0.353 0.000 0.747 628 L CB -0.346 41.902 42.059 0.315 0.000 0.896 628 L HN 0.025 nan 8.230 nan 0.000 0.432 629 K N -0.010 120.531 120.400 0.236 0.000 2.211 629 K HA -0.049 4.272 4.320 0.001 0.000 0.203 629 K C 2.123 178.787 176.600 0.107 0.000 1.050 629 K CA 1.214 57.605 56.287 0.173 0.000 0.945 629 K CB -0.147 32.427 32.500 0.123 0.000 0.732 629 K HN 0.283 nan 8.250 nan 0.000 0.451 630 A N 1.670 124.539 122.820 0.081 0.000 1.897 630 A HA -0.138 4.182 4.320 0.001 0.000 0.215 630 A C 1.547 179.111 177.584 -0.033 0.000 1.181 630 A CA 1.575 53.625 52.037 0.021 0.000 0.620 630 A CB -0.129 18.878 19.000 0.012 0.000 0.821 630 A HN 0.141 nan 8.150 nan 0.000 0.443 631 D N -1.686 118.683 120.400 -0.052 0.000 2.305 631 D HA 0.113 4.754 4.640 0.001 0.000 0.206 631 D C -0.498 175.418 176.300 -0.640 0.000 0.974 631 D CA 0.701 54.502 54.000 -0.331 0.000 0.871 631 D CB 0.067 40.628 40.800 -0.397 0.000 0.947 631 D HN 0.425 nan 8.370 nan 0.000 0.516 632 F N 0.632 120.619 119.950 0.062 0.000 2.584 632 F HA 0.251 4.779 4.527 0.001 0.000 0.328 632 F C -1.663 174.105 175.800 -0.053 0.000 1.407 632 F CA -1.728 56.276 58.000 0.005 0.000 1.145 632 F CB 1.630 40.647 39.000 0.028 0.000 1.440 632 F HN -0.200 nan 8.300 nan 0.000 0.580 633 P HA -0.162 nan 4.420 nan 0.000 0.219 633 P C 0.513 177.805 177.300 -0.014 0.000 1.146 633 P CA 1.533 64.642 63.100 0.016 0.000 0.808 633 P CB 0.483 32.179 31.700 -0.006 0.000 0.779 634 D N -0.857 119.531 120.400 -0.019 0.000 2.350 634 D HA 0.038 4.679 4.640 0.001 0.000 0.213 634 D C 0.125 176.357 176.300 -0.113 0.000 1.031 634 D CA 0.317 54.286 54.000 -0.051 0.000 0.861 634 D CB -0.295 40.493 40.800 -0.020 0.000 0.926 634 D HN 0.269 nan 8.370 nan 0.000 0.520 635 N N 0.875 119.456 118.700 -0.198 0.000 2.426 635 N HA 0.161 4.901 4.740 0.001 0.000 0.275 635 N C -0.161 175.171 175.510 -0.296 0.000 1.019 635 N CA -0.408 52.374 53.050 -0.446 0.000 0.941 635 N CB 1.563 39.272 38.487 -1.297 0.000 1.123 635 N HN -0.124 nan 8.380 nan 0.000 0.486 636 I N 2.324 122.803 120.570 -0.151 0.000 2.496 636 I HA 0.114 4.285 4.170 0.001 0.000 0.285 636 I C -0.079 176.179 176.117 0.235 0.000 1.080 636 I CA -0.261 61.010 61.300 -0.049 0.000 1.404 636 I CB 0.332 38.145 38.000 -0.311 0.000 1.403 636 I HN 0.208 nan 8.210 nan 0.000 0.539 637 V N 8.172 128.222 119.914 0.226 0.000 2.378 637 V HA 0.450 4.571 4.120 0.001 0.000 0.288 637 V C 0.143 176.391 176.094 0.257 0.000 1.016 637 V CA -0.536 61.959 62.300 0.326 0.000 0.840 637 V CB 1.937 33.950 31.823 0.318 0.000 0.994 637 V HN 0.417 nan 8.190 nan 0.000 0.431 638 I N 4.103 124.846 120.570 0.290 0.000 2.362 638 I HA 0.639 4.809 4.170 0.001 0.000 0.289 638 I C 0.506 176.743 176.117 0.200 0.000 0.994 638 I CA -0.603 60.849 61.300 0.252 0.000 1.158 638 I CB 1.836 40.028 38.000 0.319 0.000 1.315 638 I HN 0.646 nan 8.210 nan 0.000 0.451 639 A N 4.752 127.678 122.820 0.176 0.000 2.302 639 A HA 0.422 4.742 4.320 0.001 0.000 0.295 639 A C 0.116 177.707 177.584 0.012 0.000 1.235 639 A CA -0.204 51.931 52.037 0.163 0.000 0.876 639 A CB 0.621 19.783 19.000 0.269 0.000 1.133 639 A HN 0.652 nan 8.150 nan 0.000 0.533 640 S N 2.733 118.381 115.700 -0.086 0.000 2.475 640 S HA 0.638 5.109 4.470 0.001 0.000 0.281 640 S C -0.132 174.202 174.600 -0.444 0.000 1.198 640 S CA -0.535 57.574 58.200 -0.151 0.000 1.063 640 S CB -0.390 62.749 63.200 -0.102 0.000 0.972 640 S HN 0.775 nan 8.310 nan 0.000 0.486 641 I N 2.178 122.545 120.570 -0.339 0.000 2.934 641 I HA 0.732 4.903 4.170 0.001 0.000 0.306 641 I C -0.914 175.068 176.117 -0.224 0.000 1.110 641 I CA -1.219 59.780 61.300 -0.502 0.000 1.019 641 I CB 2.321 40.028 38.000 -0.489 0.000 1.227 641 I HN 0.661 nan 8.210 nan 0.000 0.434 642 M N 3.946 123.315 119.600 -0.386 0.000 2.371 642 M HA 0.660 5.141 4.480 0.001 0.000 0.287 642 M C -2.082 173.800 176.300 -0.697 0.000 1.149 642 M CA -0.018 55.035 55.300 -0.411 0.000 0.929 642 M CB 1.952 34.469 32.600 -0.137 0.000 1.683 642 M HN 0.951 nan 8.290 nan 0.000 0.470 643 C N 0.791 119.410 119.300 -1.135 0.000 3.080 643 C HA 0.810 5.271 4.460 0.001 0.000 0.307 643 C C 0.362 175.134 174.990 -0.364 0.000 1.311 643 C CA -0.672 57.784 59.018 -0.935 0.000 1.533 643 C CB 2.226 28.988 27.740 -1.629 0.000 1.970 643 C HN 0.979 nan 8.230 nan 0.000 0.467 644 S N 0.031 115.644 115.700 -0.145 0.000 2.641 644 S HA 0.259 4.730 4.470 0.001 0.000 0.261 644 S C -0.437 174.370 174.600 0.345 0.000 1.257 644 S CA -0.138 58.132 58.200 0.116 0.000 0.983 644 S CB -0.029 63.218 63.200 0.079 0.000 0.990 644 S HN 0.728 nan 8.310 nan 0.000 0.572 645 Y N 2.649 123.138 120.300 0.315 0.000 2.518 645 Y HA 0.296 4.847 4.550 0.001 0.000 0.337 645 Y C 0.158 176.287 175.900 0.382 0.000 1.261 645 Y CA -0.367 58.013 58.100 0.467 0.000 1.856 645 Y CB -0.940 37.734 38.460 0.358 0.000 1.798 645 Y HN 0.720 nan 8.280 nan 0.000 0.440 646 N N 3.932 122.725 118.700 0.154 0.000 2.454 646 N HA 0.100 4.841 4.740 0.001 0.000 0.291 646 N C 0.464 175.725 175.510 -0.415 0.000 1.079 646 N CA -0.334 52.608 53.050 -0.179 0.000 0.893 646 N CB 1.570 39.998 38.487 -0.099 0.000 1.512 646 N HN 0.584 nan 8.380 nan 0.000 0.497 647 K N 3.096 122.830 120.400 -1.111 0.000 2.009 647 K HA -0.111 4.210 4.320 0.001 0.000 0.210 647 K C 1.002 177.269 176.600 -0.556 0.000 1.049 647 K CA 1.544 56.962 56.287 -1.449 0.000 0.929 647 K CB 0.094 31.572 32.500 -1.704 0.000 0.714 647 K HN 0.464 nan 8.250 nan 0.000 0.440 648 N N 1.380 119.848 118.700 -0.387 0.000 2.149 648 N HA -0.156 4.584 4.740 0.001 0.000 0.188 648 N C 1.293 176.721 175.510 -0.138 0.000 1.019 648 N CA 1.495 54.418 53.050 -0.212 0.000 0.857 648 N CB -0.460 37.927 38.487 -0.166 0.000 0.997 648 N HN 0.305 nan 8.380 nan 0.000 0.426 649 D N -0.196 120.115 120.400 -0.149 0.000 2.084 649 D HA -0.120 4.520 4.640 0.001 0.000 0.194 649 D C 1.908 178.135 176.300 -0.121 0.000 0.990 649 D CA 0.790 54.698 54.000 -0.152 0.000 0.826 649 D CB -0.569 40.099 40.800 -0.219 0.000 0.971 649 D HN 0.335 nan 8.370 nan 0.000 0.453 650 W N 0.861 122.115 121.300 -0.077 0.000 2.338 650 W HA -0.111 4.549 4.660 0.001 0.000 0.304 650 W C 2.665 179.154 176.519 -0.050 0.000 1.212 650 W CA 0.745 58.076 57.345 -0.022 0.000 1.264 650 W CB -0.317 29.206 29.460 0.106 0.000 1.142 650 W HN -0.038 nan 8.180 nan 0.000 0.512 651 M N -0.612 119.078 119.600 0.150 0.000 2.132 651 M HA -0.195 4.286 4.480 0.001 0.000 0.263 651 M C 2.113 178.432 176.300 0.031 0.000 1.065 651 M CA 1.674 57.012 55.300 0.064 0.000 1.122 651 M CB -0.642 31.956 32.600 -0.004 0.000 1.365 651 M HN 0.067 nan 8.290 nan 0.000 0.411 652 E N 0.689 120.890 120.200 0.001 0.000 2.047 652 E HA -0.232 4.119 4.350 0.001 0.000 0.191 652 E C 1.961 178.570 176.600 0.016 0.000 0.987 652 E CA 1.161 57.559 56.400 -0.003 0.000 0.799 652 E CB 0.006 29.690 29.700 -0.027 0.000 0.752 652 E HN 0.279 nan 8.360 nan 0.000 0.449 653 L N 1.054 122.275 121.223 -0.003 0.000 2.056 653 L HA -0.155 4.185 4.340 0.001 0.000 0.207 653 L C 2.521 179.419 176.870 0.046 0.000 1.078 653 L CA 2.347 57.192 54.840 0.008 0.000 0.749 653 L CB -0.752 41.244 42.059 -0.106 0.000 0.901 653 L HN 0.222 nan 8.230 nan 0.000 0.433 654 S N -0.826 114.907 115.700 0.056 0.000 2.368 654 S HA -0.237 4.234 4.470 0.001 0.000 0.225 654 S C 2.156 176.789 174.600 0.055 0.000 1.030 654 S CA 1.164 59.397 58.200 0.055 0.000 0.999 654 S CB -0.650 62.573 63.200 0.038 0.000 0.844 654 S HN 0.496 nan 8.310 nan 0.000 0.459 655 R N 1.278 121.808 120.500 0.049 0.000 2.092 655 R HA 0.065 4.406 4.340 0.001 0.000 0.231 655 R C 2.591 178.931 176.300 0.066 0.000 1.119 655 R CA 1.410 57.538 56.100 0.048 0.000 0.970 655 R CB -0.266 30.055 30.300 0.034 0.000 0.864 655 R HN 0.518 nan 8.270 nan 0.000 0.440 656 K N 0.545 120.994 120.400 0.081 0.000 2.057 656 K HA -0.104 4.217 4.320 0.001 0.000 0.207 656 K C 2.000 178.686 176.600 0.144 0.000 1.049 656 K CA 1.390 57.739 56.287 0.104 0.000 0.931 656 K CB -0.054 32.520 32.500 0.122 0.000 0.714 656 K HN 0.151 nan 8.250 nan 0.000 0.440 657 A N 1.307 124.239 122.820 0.186 0.000 1.898 657 A HA -0.202 4.119 4.320 0.001 0.000 0.216 657 A C 2.002 179.680 177.584 0.156 0.000 1.181 657 A CA 1.707 53.889 52.037 0.240 0.000 0.620 657 A CB -0.538 18.611 19.000 0.247 0.000 0.819 657 A HN 0.586 nan 8.150 nan 0.000 0.442 658 E N 0.039 120.304 120.200 0.108 0.000 2.077 658 E HA -0.129 4.222 4.350 0.001 0.000 0.193 658 E C 2.046 178.690 176.600 0.075 0.000 0.989 658 E CA 1.030 57.479 56.400 0.082 0.000 0.800 658 E CB -0.265 29.472 29.700 0.061 0.000 0.746 658 E HN 0.512 nan 8.360 nan 0.000 0.452 659 A N 0.900 123.762 122.820 0.071 0.000 2.070 659 A HA -0.161 4.160 4.320 0.001 0.000 0.220 659 A C 2.254 179.874 177.584 0.059 0.000 1.159 659 A CA 1.708 53.779 52.037 0.057 0.000 0.656 659 A CB -0.621 18.409 19.000 0.050 0.000 0.800 659 A HN 0.434 nan 8.150 nan 0.000 0.453 660 S N -1.913 113.834 115.700 0.078 0.000 2.515 660 S HA 0.327 4.797 4.470 0.001 0.000 0.231 660 S C 1.401 176.045 174.600 0.073 0.000 0.987 660 S CA 1.187 59.430 58.200 0.073 0.000 0.936 660 S CB -0.297 62.958 63.200 0.092 0.000 0.766 660 S HN 1.902 nan 8.310 nan 0.000 0.528 661 G N 0.394 109.240 108.800 0.076 0.000 2.148 661 G HA2 0.020 3.981 3.960 0.001 0.000 0.203 661 G HA3 0.020 3.981 3.960 0.001 0.000 0.203 661 G C 0.203 175.156 174.900 0.088 0.000 0.993 661 G CA -0.176 44.966 45.100 0.072 0.000 0.661 661 G HN 1.221 nan 8.290 nan 0.000 0.518 662 A N 0.291 123.176 122.820 0.109 0.000 2.531 662 A HA 0.476 4.797 4.320 0.001 0.000 0.236 662 A C 1.295 178.934 177.584 0.092 0.000 1.062 662 A CA 0.940 53.052 52.037 0.125 0.000 0.760 662 A CB 0.278 19.368 19.000 0.151 0.000 0.995 662 A HN 0.245 nan 8.150 nan 0.000 0.501 663 D N 0.578 121.031 120.400 0.088 0.000 2.224 663 D HA 0.218 4.858 4.640 0.001 0.000 0.205 663 D C 0.791 177.120 176.300 0.048 0.000 0.965 663 D CA 1.925 55.954 54.000 0.048 0.000 0.852 663 D CB 0.166 40.973 40.800 0.012 0.000 0.947 663 D HN 0.765 nan 8.370 nan 0.000 0.494 664 A N -0.500 122.367 122.820 0.079 0.000 2.564 664 A HA 0.625 4.946 4.320 0.001 0.000 0.291 664 A C -1.701 175.924 177.584 0.068 0.000 1.102 664 A CA -0.666 51.389 52.037 0.030 0.000 0.660 664 A CB 0.733 19.748 19.000 0.026 0.000 1.283 664 A HN 0.021 nan 8.150 nan 0.000 0.430 665 L N 0.087 121.320 121.223 0.016 0.000 2.341 665 L HA 0.739 5.080 4.340 0.001 0.000 0.267 665 L C -0.196 176.746 176.870 0.120 0.000 1.009 665 L CA -0.519 54.367 54.840 0.077 0.000 0.819 665 L CB 2.153 44.253 42.059 0.068 0.000 1.323 665 L HN 0.884 nan 8.230 nan 0.000 0.425 666 E N 2.109 122.399 120.200 0.150 0.000 2.218 666 E HA 0.445 4.796 4.350 0.001 0.000 0.263 666 E C -1.585 175.109 176.600 0.157 0.000 0.879 666 E CA -0.618 55.906 56.400 0.206 0.000 0.762 666 E CB 1.624 31.448 29.700 0.208 0.000 1.166 666 E HN 0.470 nan 8.360 nan 0.000 0.415 667 L N 4.244 125.581 121.223 0.189 0.000 2.260 667 L HA 0.330 4.671 4.340 0.001 0.000 0.289 667 L C 0.319 177.306 176.870 0.196 0.000 1.057 667 L CA -0.741 54.221 54.840 0.203 0.000 0.811 667 L CB 0.562 42.652 42.059 0.051 0.000 1.184 667 L HN 0.434 nan 8.230 nan 0.000 0.429 668 N N 4.597 123.435 118.700 0.229 0.000 2.408 668 N HA 0.184 4.925 4.740 0.001 0.000 0.257 668 N C -0.056 175.599 175.510 0.242 0.000 1.064 668 N CA -0.189 52.961 53.050 0.168 0.000 0.952 668 N CB 1.154 39.696 38.487 0.091 0.000 1.093 668 N HN 0.592 nan 8.380 nan 0.000 0.490 669 L N 2.520 123.846 121.223 0.172 0.000 2.928 669 L HA 0.179 4.520 4.340 0.001 0.000 0.236 669 L C 1.233 178.182 176.870 0.132 0.000 1.290 669 L CA -0.138 54.806 54.840 0.174 0.000 1.099 669 L CB -0.051 42.071 42.059 0.105 0.000 1.437 669 L HN 0.389 nan 8.230 nan 0.000 0.493 670 S N 0.320 116.090 115.700 0.117 0.000 2.558 670 S HA 0.160 4.631 4.470 0.001 0.000 0.217 670 S C 1.256 175.893 174.600 0.061 0.000 0.975 670 S CA -0.010 58.232 58.200 0.071 0.000 0.912 670 S CB 0.132 63.363 63.200 0.052 0.000 0.776 670 S HN 0.486 nan 8.310 nan 0.000 0.526 671 A N 3.199 126.081 122.820 0.103 0.000 2.488 671 A HA 0.411 4.731 4.320 0.001 0.000 0.249 671 A C -2.565 175.048 177.584 0.048 0.000 1.083 671 A CA -1.148 50.942 52.037 0.088 0.000 0.768 671 A CB -0.211 18.877 19.000 0.146 0.000 1.017 671 A HN 0.096 nan 8.150 nan 0.000 0.496 672 P HA 0.142 nan 4.420 nan 0.000 0.268 672 P C -0.077 177.193 177.300 -0.051 0.000 1.204 672 P CA 0.266 63.293 63.100 -0.122 0.000 0.768 672 P CB 0.429 32.083 31.700 -0.077 0.000 0.842 673 H N 1.173 120.269 119.070 0.044 0.000 2.548 673 H HA 0.199 4.755 4.556 0.001 0.000 0.268 673 H C 1.439 176.790 175.328 0.039 0.000 0.975 673 H CA 0.285 56.347 56.048 0.024 0.000 1.195 673 H CB -0.928 28.775 29.762 -0.099 0.000 1.397 673 H HN 0.562 nan 8.280 nan 0.000 0.572 674 G N 0.763 109.690 108.800 0.211 0.000 2.187 674 G HA2 -0.347 3.614 3.960 0.001 0.000 0.261 674 G HA3 -0.347 3.614 3.960 0.001 0.000 0.261 674 G C 0.236 175.258 174.900 0.204 0.000 1.000 674 G CA 0.683 45.888 45.100 0.174 0.000 0.718 674 G HN 0.521 nan 8.290 nan 0.000 0.519 675 M N 1.033 120.826 119.600 0.321 0.000 3.145 675 M HA 0.455 4.935 4.480 0.001 0.000 0.254 675 M C 1.765 178.110 176.300 0.074 0.000 1.264 675 M CA -0.135 55.219 55.300 0.092 0.000 1.293 675 M CB 0.491 33.035 32.600 -0.094 0.000 1.170 675 M HN 0.320 nan 8.290 nan 0.000 0.572 676 G N 2.497 111.356 108.800 0.099 0.000 3.652 676 G HA2 -0.308 3.652 3.960 0.001 0.000 0.270 676 G HA3 -0.308 3.652 3.960 0.001 0.000 0.270 676 G C 0.783 175.725 174.900 0.070 0.000 0.886 676 G CA 1.381 46.528 45.100 0.079 0.000 0.746 676 G HN 0.761 nan 8.290 nan 0.000 1.316 677 E N 0.232 120.445 120.200 0.021 0.000 2.548 677 E HA 0.196 4.547 4.350 0.001 0.000 0.206 677 E C 2.231 178.804 176.600 -0.045 0.000 1.005 677 E CA -0.344 56.057 56.400 0.000 0.000 0.951 677 E CB 0.528 30.232 29.700 0.007 0.000 1.035 677 E HN 0.391 nan 8.360 nan 0.000 0.470 678 R N 0.439 120.894 120.500 -0.075 0.000 2.297 678 R HA 0.093 4.433 4.340 0.001 0.000 0.197 678 R C 0.684 176.864 176.300 -0.200 0.000 0.943 678 R CA 0.276 56.314 56.100 -0.103 0.000 1.038 678 R CB 0.650 30.903 30.300 -0.079 0.000 0.957 678 R HN -0.075 nan 8.270 nan 0.000 0.484 679 G N 0.658 109.268 108.800 -0.316 0.000 2.666 679 G HA2 0.362 4.323 3.960 0.001 0.000 0.303 679 G HA3 0.362 4.323 3.960 0.001 0.000 0.303 679 G C -0.221 174.506 174.900 -0.288 0.000 1.412 679 G CA -0.761 44.003 45.100 -0.559 0.000 0.979 679 G HN -0.061 nan 8.290 nan 0.000 0.507 680 M N 2.295 121.821 119.600 -0.123 0.000 2.260 680 M HA 0.260 4.741 4.480 0.001 0.000 0.348 680 M C 1.398 177.797 176.300 0.164 0.000 1.342 680 M CA 1.317 56.626 55.300 0.014 0.000 1.040 680 M CB -0.132 32.467 32.600 -0.001 0.000 1.810 680 M HN 1.167 nan 8.290 nan 0.000 0.453 681 G N 2.919 111.797 108.800 0.129 0.000 2.564 681 G HA2 -0.275 3.686 3.960 0.001 0.000 0.273 681 G HA3 -0.275 3.686 3.960 0.001 0.000 0.273 681 G C 0.269 175.279 174.900 0.184 0.000 1.242 681 G CA 0.127 45.301 45.100 0.124 0.000 0.951 681 G HN 0.703 nan 8.290 nan 0.000 0.564 682 L N 0.121 121.333 121.223 -0.018 0.000 2.624 682 L HA 0.527 4.868 4.340 0.001 0.000 0.222 682 L C 1.889 178.308 176.870 -0.753 0.000 1.046 682 L CA 0.687 55.323 54.840 -0.339 0.000 0.872 682 L CB -0.230 41.740 42.059 -0.149 0.000 1.190 682 L HN 0.877 nan 8.230 nan 0.000 0.487 683 A N -0.750 121.893 122.820 -0.294 0.000 2.316 683 A HA 0.177 4.498 4.320 0.001 0.000 0.284 683 A C 1.174 178.747 177.584 -0.019 0.000 1.115 683 A CA -0.439 51.496 52.037 -0.169 0.000 0.812 683 A CB 0.675 19.651 19.000 -0.040 0.000 1.064 683 A HN 0.303 nan 8.150 nan 0.000 0.489 684 C N 1.486 120.823 119.300 0.061 0.000 2.413 684 C HA -0.080 4.380 4.460 0.001 0.000 0.277 684 C C 2.663 177.706 174.990 0.088 0.000 1.265 684 C CA 1.341 60.441 59.018 0.137 0.000 1.752 684 C CB -1.422 26.430 27.740 0.187 0.000 1.998 684 C HN 1.004 nan 8.230 nan 0.000 0.489 685 G N -0.687 108.157 108.800 0.073 0.000 2.625 685 G HA2 -0.148 3.813 3.960 0.001 0.000 0.214 685 G HA3 -0.148 3.813 3.960 0.001 0.000 0.214 685 G C 1.471 176.397 174.900 0.043 0.000 1.132 685 G CA 0.253 45.385 45.100 0.053 0.000 0.782 685 G HN 0.733 nan 8.290 nan 0.000 0.538 686 Q N -0.552 119.280 119.800 0.053 0.000 2.319 686 Q HA 0.104 4.444 4.340 0.001 0.000 0.202 686 Q C -0.329 175.694 176.000 0.039 0.000 0.896 686 Q CA -0.086 55.745 55.803 0.047 0.000 0.942 686 Q CB 0.766 29.537 28.738 0.054 0.000 1.083 686 Q HN 0.234 nan 8.270 nan 0.000 0.510 687 D N 0.036 120.455 120.400 0.031 0.000 2.471 687 D HA 0.163 4.803 4.640 0.001 0.000 0.245 687 D C -2.162 174.114 176.300 -0.039 0.000 1.116 687 D CA -2.176 51.813 54.000 -0.017 0.000 0.853 687 D CB 1.990 42.755 40.800 -0.058 0.000 1.123 687 D HN -0.209 nan 8.370 nan 0.000 0.540 688 P HA -0.156 nan 4.420 nan 0.000 0.216 688 P C 1.126 178.385 177.300 -0.068 0.000 1.153 688 P CA 1.044 64.116 63.100 -0.046 0.000 0.858 688 P CB 0.479 32.154 31.700 -0.040 0.000 0.789 689 E N -0.348 119.805 120.200 -0.078 0.000 2.077 689 E HA -0.169 4.182 4.350 0.001 0.000 0.193 689 E C 1.889 178.424 176.600 -0.109 0.000 0.989 689 E CA 1.008 57.355 56.400 -0.087 0.000 0.800 689 E CB -0.530 29.120 29.700 -0.084 0.000 0.746 689 E HN 0.133 nan 8.360 nan 0.000 0.452 690 L N 0.116 121.256 121.223 -0.137 0.000 2.056 690 L HA -0.148 4.193 4.340 0.001 0.000 0.207 690 L C 2.552 179.355 176.870 -0.111 0.000 1.078 690 L CA 0.643 55.391 54.840 -0.153 0.000 0.749 690 L CB -0.453 41.455 42.059 -0.253 0.000 0.901 690 L HN 0.106 nan 8.230 nan 0.000 0.433 691 V N 0.097 119.949 119.914 -0.103 0.000 2.295 691 V HA -0.303 3.817 4.120 0.001 0.000 0.246 691 V C 2.729 178.721 176.094 -0.171 0.000 1.049 691 V CA 1.943 64.173 62.300 -0.116 0.000 1.024 691 V CB -0.685 31.105 31.823 -0.056 0.000 0.648 691 V HN 0.460 nan 8.190 nan 0.000 0.447 692 R N 0.280 120.690 120.500 -0.150 0.000 2.083 692 R HA -0.191 4.150 4.340 0.001 0.000 0.237 692 R C 2.208 178.339 176.300 -0.281 0.000 1.137 692 R CA 2.020 58.024 56.100 -0.161 0.000 0.951 692 R CB -0.285 29.943 30.300 -0.120 0.000 0.851 692 R HN 0.544 nan 8.270 nan 0.000 0.434 693 N N 0.616 119.083 118.700 -0.388 0.000 2.188 693 N HA -0.129 4.612 4.740 0.001 0.000 0.184 693 N C 1.913 176.611 175.510 -1.353 0.000 1.018 693 N CA 1.316 53.909 53.050 -0.761 0.000 0.858 693 N CB -0.154 37.941 38.487 -0.654 0.000 0.989 693 N HN 0.310 nan 8.380 nan 0.000 0.426 694 I N 0.610 120.566 120.570 -1.024 0.000 2.179 694 I HA -0.281 3.890 4.170 0.001 0.000 0.242 694 I C 2.115 177.833 176.117 -0.666 0.000 1.088 694 I CA 0.847 61.559 61.300 -0.980 0.000 1.357 694 I CB -0.252 37.260 38.000 -0.814 0.000 1.051 694 I HN 0.133 nan 8.210 nan 0.000 0.409 695 C N 0.142 119.190 119.300 -0.419 0.000 2.422 695 C HA -0.135 4.325 4.460 0.001 0.000 0.279 695 C C 2.931 177.862 174.990 -0.098 0.000 1.305 695 C CA 0.677 59.613 59.018 -0.137 0.000 1.757 695 C CB -1.239 26.569 27.740 0.112 0.000 1.962 695 C HN 0.434 nan 8.230 nan 0.000 0.499 696 R N -0.266 120.108 120.500 -0.210 0.000 2.075 696 R HA -0.126 4.215 4.340 0.001 0.000 0.232 696 R C 2.187 178.488 176.300 0.001 0.000 1.126 696 R CA 1.628 57.664 56.100 -0.108 0.000 0.963 696 R CB -0.189 30.003 30.300 -0.180 0.000 0.858 696 R HN 0.586 nan 8.270 nan 0.000 0.435 697 W N 0.045 121.265 121.300 -0.132 0.000 2.355 697 W HA -0.103 4.558 4.660 0.001 0.000 0.309 697 W C 2.079 178.502 176.519 -0.160 0.000 1.206 697 W CA 0.368 57.638 57.345 -0.126 0.000 1.284 697 W CB -1.076 28.305 29.460 -0.131 0.000 1.145 697 W HN -0.043 nan 8.180 nan 0.000 0.502 698 V N 0.758 120.621 119.914 -0.085 0.000 2.358 698 V HA -0.264 3.856 4.120 0.001 0.000 0.246 698 V C 2.473 178.377 176.094 -0.316 0.000 1.047 698 V CA 2.188 64.286 62.300 -0.336 0.000 1.035 698 V CB -0.908 30.392 31.823 -0.872 0.000 0.658 698 V HN -0.017 nan 8.190 nan 0.000 0.452 699 R N 1.393 121.784 120.500 -0.181 0.000 2.105 699 R HA -0.208 4.133 4.340 0.001 0.000 0.239 699 R C 2.300 178.653 176.300 0.089 0.000 1.135 699 R CA 2.098 58.287 56.100 0.149 0.000 0.967 699 R CB -0.534 29.934 30.300 0.280 0.000 0.861 699 R HN 0.774 nan 8.270 nan 0.000 0.442 700 Q N -1.560 118.278 119.800 0.063 0.000 2.451 700 Q HA 0.139 4.480 4.340 0.001 0.000 0.206 700 Q C 1.384 177.410 176.000 0.043 0.000 0.947 700 Q CA 0.909 56.749 55.803 0.063 0.000 0.937 700 Q CB 0.221 29.005 28.738 0.076 0.000 1.025 700 Q HN 0.311 nan 8.270 nan 0.000 0.511 701 A N 1.179 124.015 122.820 0.026 0.000 1.997 701 A HA 0.269 4.590 4.320 0.001 0.000 0.212 701 A C 1.067 178.661 177.584 0.017 0.000 1.178 701 A CA 0.732 52.780 52.037 0.017 0.000 0.698 701 A CB 0.248 19.256 19.000 0.015 0.000 0.842 701 A HN 0.351 nan 8.150 nan 0.000 0.458 702 V N -3.992 115.930 119.914 0.013 0.000 3.074 702 V HA 0.514 4.635 4.120 0.001 0.000 0.314 702 V C 0.052 176.183 176.094 0.062 0.000 1.117 702 V CA -0.630 61.690 62.300 0.033 0.000 1.014 702 V CB 1.511 33.348 31.823 0.024 0.000 1.057 702 V HN 0.316 nan 8.190 nan 0.000 0.438 703 Q N 1.349 121.184 119.800 0.057 0.000 2.392 703 Q HA 0.367 4.708 4.340 0.001 0.000 0.219 703 Q C 0.814 176.848 176.000 0.057 0.000 0.895 703 Q CA 0.384 56.221 55.803 0.057 0.000 0.929 703 Q CB 0.690 29.453 28.738 0.040 0.000 1.077 703 Q HN 0.888 nan 8.270 nan 0.000 0.532 704 I N 0.030 120.633 120.570 0.055 0.000 3.004 704 I HA 0.257 4.428 4.170 0.001 0.000 0.287 704 I C -2.200 173.936 176.117 0.031 0.000 1.144 704 I CA -2.303 59.017 61.300 0.035 0.000 1.353 704 I CB -0.081 37.939 38.000 0.033 0.000 1.417 704 I HN -0.198 nan 8.210 nan 0.000 0.602 705 P HA 0.235 nan 4.420 nan 0.000 0.274 705 P C -1.145 175.934 177.300 -0.367 0.000 1.231 705 P CA 0.143 63.107 63.100 -0.227 0.000 0.790 705 P CB 0.676 32.230 31.700 -0.243 0.000 0.951 706 F N -0.284 119.268 119.950 -0.663 0.000 2.613 706 F HA 0.742 5.269 4.527 0.001 0.000 0.310 706 F C -1.843 173.483 175.800 -0.790 0.000 1.085 706 F CA -1.482 56.104 58.000 -0.690 0.000 0.945 706 F CB 1.150 39.988 39.000 -0.270 0.000 1.298 706 F HN -0.000 nan 8.300 nan 0.000 0.455 707 F N 1.753 121.771 119.950 0.113 0.000 2.540 707 F HA 0.792 5.320 4.527 0.001 0.000 0.317 707 F C 0.097 175.966 175.800 0.115 0.000 1.104 707 F CA -1.594 56.401 58.000 -0.010 0.000 0.913 707 F CB 1.915 40.879 39.000 -0.060 0.000 1.170 707 F HN 0.878 nan 8.300 nan 0.000 0.450 708 A N 2.743 125.712 122.820 0.250 0.000 2.276 708 A HA 0.467 4.788 4.320 0.001 0.000 0.300 708 A C -0.152 177.519 177.584 0.145 0.000 1.235 708 A CA -0.700 51.448 52.037 0.185 0.000 0.867 708 A CB 0.323 19.411 19.000 0.147 0.000 1.137 708 A HN 0.764 nan 8.150 nan 0.000 0.527 709 K N 3.791 124.268 120.400 0.128 0.000 2.285 709 K HA 0.465 4.785 4.320 0.001 0.000 0.286 709 K C -0.820 175.827 176.600 0.079 0.000 1.072 709 K CA -0.202 56.143 56.287 0.097 0.000 0.913 709 K CB 0.140 32.696 32.500 0.093 0.000 1.067 709 K HN 0.709 nan 8.250 nan 0.000 0.479 710 L N 2.781 124.044 121.223 0.067 0.000 2.375 710 L HA 0.290 4.631 4.340 0.001 0.000 0.271 710 L C 0.710 177.611 176.870 0.052 0.000 1.107 710 L CA -0.752 54.124 54.840 0.060 0.000 0.806 710 L CB 1.423 43.519 42.059 0.060 0.000 1.146 710 L HN 0.594 nan 8.230 nan 0.000 0.447 711 T N 1.689 116.271 114.554 0.047 0.000 2.875 711 T HA 0.363 4.713 4.350 0.001 0.000 0.284 711 T C -1.639 173.084 174.700 0.037 0.000 0.995 711 T CA -1.772 60.352 62.100 0.041 0.000 1.060 711 T CB 1.400 70.289 68.868 0.036 0.000 0.967 711 T HN 0.492 nan 8.240 nan 0.000 0.476 712 P HA 0.096 nan 4.420 nan 0.000 0.245 712 P C 0.064 177.378 177.300 0.023 0.000 1.206 712 P CA 0.083 63.203 63.100 0.034 0.000 0.781 712 P CB 0.253 31.977 31.700 0.040 0.000 0.994 713 N N 1.397 120.108 118.700 0.018 0.000 3.243 713 N HA 0.137 4.878 4.740 0.001 0.000 0.310 713 N C 0.187 175.702 175.510 0.008 0.000 1.313 713 N CA 0.296 53.350 53.050 0.007 0.000 1.204 713 N CB 0.164 38.652 38.487 0.002 0.000 1.483 713 N HN 0.177 nan 8.380 nan 0.000 0.553 714 V N -3.960 115.961 119.914 0.011 0.000 3.147 714 V HA 0.402 4.523 4.120 0.001 0.000 0.306 714 V C 1.137 177.236 176.094 0.008 0.000 1.209 714 V CA -0.850 61.456 62.300 0.011 0.000 1.023 714 V CB 1.535 33.368 31.823 0.016 0.000 1.059 714 V HN -0.024 nan 8.190 nan 0.000 0.435 715 T N 0.619 115.176 114.554 0.005 0.000 2.777 715 T HA -0.042 4.308 4.350 0.001 0.000 0.266 715 T C 0.445 175.148 174.700 0.005 0.000 1.040 715 T CA 2.386 64.488 62.100 0.003 0.000 1.141 715 T CB -0.233 68.635 68.868 -0.000 0.000 0.868 715 T HN 0.948 nan 8.240 nan 0.000 0.444 716 D N -0.190 120.213 120.400 0.006 0.000 2.375 716 D HA 0.262 4.903 4.640 0.001 0.000 0.259 716 D C 0.585 176.892 176.300 0.012 0.000 1.235 716 D CA -0.390 53.614 54.000 0.007 0.000 0.924 716 D CB 0.159 40.960 40.800 0.001 0.000 1.143 716 D HN 0.115 nan 8.370 nan 0.000 0.529 717 I N 2.827 123.408 120.570 0.019 0.000 2.493 717 I HA -0.189 3.982 4.170 0.001 0.000 0.254 717 I C 1.418 177.552 176.117 0.029 0.000 1.160 717 I CA 0.785 62.101 61.300 0.027 0.000 1.445 717 I CB 0.465 38.486 38.000 0.036 0.000 1.086 717 I HN 0.236 nan 8.210 nan 0.000 0.433 718 V N 0.983 120.911 119.914 0.023 0.000 2.407 718 V HA -0.284 3.837 4.120 0.001 0.000 0.248 718 V C 2.649 178.745 176.094 0.004 0.000 1.055 718 V CA 2.066 64.377 62.300 0.018 0.000 1.049 718 V CB -0.938 30.891 31.823 0.010 0.000 0.662 718 V HN 0.687 nan 8.190 nan 0.000 0.455 719 S N 0.238 115.937 115.700 -0.002 0.000 2.399 719 S HA -0.141 4.330 4.470 0.001 0.000 0.231 719 S C 1.922 176.514 174.600 -0.013 0.000 1.022 719 S CA 1.381 59.572 58.200 -0.014 0.000 0.983 719 S CB -0.425 62.766 63.200 -0.014 0.000 0.803 719 S HN 0.437 nan 8.310 nan 0.000 0.480 720 I N 2.723 123.294 120.570 0.002 0.000 2.286 720 I HA 0.029 4.200 4.170 0.001 0.000 0.245 720 I C 3.063 179.194 176.117 0.023 0.000 1.104 720 I CA 1.046 62.351 61.300 0.009 0.000 1.397 720 I CB -2.039 35.974 38.000 0.022 0.000 1.072 720 I HN 0.416 nan 8.210 nan 0.000 0.417 721 A N 1.127 123.973 122.820 0.044 0.000 1.902 721 A HA -0.237 4.084 4.320 0.001 0.000 0.217 721 A C 2.561 180.150 177.584 0.009 0.000 1.181 721 A CA 1.822 53.914 52.037 0.092 0.000 0.623 721 A CB -0.718 18.358 19.000 0.126 0.000 0.818 721 A HN 0.365 nan 8.150 nan 0.000 0.443 722 R N -0.363 120.105 120.500 -0.052 0.000 2.096 722 R HA -0.088 4.253 4.340 0.001 0.000 0.235 722 R C 2.234 178.463 176.300 -0.117 0.000 1.127 722 R CA 1.435 57.457 56.100 -0.129 0.000 0.968 722 R CB -0.401 29.840 30.300 -0.097 0.000 0.861 722 R HN 0.430 nan 8.270 nan 0.000 0.440 723 A N 0.757 123.537 122.820 -0.067 0.000 1.902 723 A HA -0.083 4.238 4.320 0.001 0.000 0.217 723 A C 2.364 179.915 177.584 -0.055 0.000 1.181 723 A CA 1.591 53.590 52.037 -0.064 0.000 0.623 723 A CB -0.753 18.216 19.000 -0.052 0.000 0.818 723 A HN 0.541 nan 8.150 nan 0.000 0.443 724 A N -0.198 122.613 122.820 -0.015 0.000 1.877 724 A HA -0.185 4.136 4.320 0.001 0.000 0.216 724 A C 2.148 179.747 177.584 0.026 0.000 1.186 724 A CA 2.046 54.108 52.037 0.042 0.000 0.620 724 A CB -0.482 18.597 19.000 0.131 0.000 0.822 724 A HN 0.551 nan 8.150 nan 0.000 0.443 725 K N -0.143 120.202 120.400 -0.091 0.000 2.026 725 K HA -0.191 4.129 4.320 0.001 0.000 0.208 725 K C 1.876 178.372 176.600 -0.173 0.000 1.048 725 K CA 1.731 57.843 56.287 -0.290 0.000 0.929 725 K CB -0.201 31.784 32.500 -0.857 0.000 0.713 725 K HN 0.636 nan 8.250 nan 0.000 0.439 726 E N -0.809 119.302 120.200 -0.148 0.000 2.204 726 E HA -0.128 4.222 4.350 0.001 0.000 0.195 726 E C 1.840 178.404 176.600 -0.061 0.000 0.990 726 E CA 0.963 57.303 56.400 -0.101 0.000 0.821 726 E CB -0.074 29.571 29.700 -0.092 0.000 0.750 726 E HN 0.519 nan 8.360 nan 0.000 0.477 727 G N -0.126 108.646 108.800 -0.046 0.000 2.650 727 G HA2 0.072 4.033 3.960 0.001 0.000 0.214 727 G HA3 0.072 4.033 3.960 0.001 0.000 0.214 727 G C 1.072 176.002 174.900 0.051 0.000 1.136 727 G CA 0.449 45.535 45.100 -0.024 0.000 0.789 727 G HN 0.426 nan 8.290 nan 0.000 0.536 728 G N -1.590 107.238 108.800 0.047 0.000 2.205 728 G HA2 0.203 4.164 3.960 0.001 0.000 0.180 728 G HA3 0.203 4.164 3.960 0.001 0.000 0.180 728 G C 0.480 175.336 174.900 -0.074 0.000 1.004 728 G CA 0.137 45.279 45.100 0.069 0.000 0.670 728 G HN 1.196 nan 8.290 nan 0.000 0.496 729 A N 0.383 123.122 122.820 -0.135 0.000 2.483 729 A HA 0.503 4.824 4.320 0.001 0.000 0.238 729 A C 1.043 178.449 177.584 -0.297 0.000 1.070 729 A CA 0.875 52.555 52.037 -0.594 0.000 0.770 729 A CB 0.263 19.205 19.000 -0.098 0.000 1.008 729 A HN 0.216 nan 8.150 nan 0.000 0.497 730 D N 0.655 120.730 120.400 -0.541 0.000 2.349 730 D HA 0.283 4.924 4.640 0.001 0.000 0.215 730 D C 0.822 177.047 176.300 -0.125 0.000 1.016 730 D CA 1.495 55.376 54.000 -0.199 0.000 0.870 730 D CB 0.462 41.083 40.800 -0.298 0.000 0.917 730 D HN 0.816 nan 8.370 nan 0.000 0.524 731 G N -0.055 108.607 108.800 -0.230 0.000 2.320 731 G HA2 0.369 4.329 3.960 0.001 0.000 0.296 731 G HA3 0.369 4.329 3.960 0.001 0.000 0.296 731 G C -1.597 173.128 174.900 -0.292 0.000 1.306 731 G CA -0.270 44.381 45.100 -0.749 0.000 0.836 731 G HN 0.088 nan 8.290 nan 0.000 0.517 732 V N -3.142 116.567 119.914 -0.342 0.000 3.007 732 V HA 0.919 5.040 4.120 0.001 0.000 0.311 732 V C -0.356 175.672 176.094 -0.109 0.000 1.120 732 V CA -0.783 61.480 62.300 -0.061 0.000 0.980 732 V CB 1.595 33.457 31.823 0.065 0.000 1.033 732 V HN 0.960 nan 8.190 nan 0.000 0.429 733 T N 3.110 117.652 114.554 -0.020 0.000 2.749 733 T HA 0.792 5.142 4.350 0.001 0.000 0.287 733 T C -0.047 174.652 174.700 -0.002 0.000 0.970 733 T CA 0.208 62.283 62.100 -0.042 0.000 0.980 733 T CB 1.146 70.020 68.868 0.010 0.000 0.924 733 T HN 1.428 nan 8.240 nan 0.000 0.456 734 A N 3.362 126.174 122.820 -0.013 0.000 2.332 734 A HA 0.806 5.127 4.320 0.001 0.000 0.300 734 A C 0.256 177.852 177.584 0.021 0.000 1.153 734 A CA -0.756 51.297 52.037 0.025 0.000 0.764 734 A CB 0.888 19.918 19.000 0.050 0.000 1.174 734 A HN 0.844 nan 8.150 nan 0.000 0.467 735 T N -0.550 114.020 114.554 0.027 0.000 2.778 735 T HA 0.519 4.869 4.350 0.001 0.000 0.293 735 T C -0.083 174.636 174.700 0.032 0.000 1.144 735 T CA -0.862 61.261 62.100 0.038 0.000 1.010 735 T CB 1.149 70.050 68.868 0.054 0.000 1.325 735 T HN 0.441 nan 8.240 nan 0.000 0.515 736 N N 0.475 119.197 118.700 0.038 0.000 2.332 736 N HA 0.316 5.057 4.740 0.001 0.000 0.282 736 N C 0.267 175.800 175.510 0.038 0.000 1.288 736 N CA 0.247 53.318 53.050 0.036 0.000 0.949 736 N CB 0.914 39.425 38.487 0.039 0.000 1.108 736 N HN 0.975 nan 8.380 nan 0.000 0.542 737 T N -1.783 112.793 114.554 0.037 0.000 2.860 737 T HA 0.294 4.645 4.350 0.001 0.000 0.299 737 T C 0.384 175.107 174.700 0.037 0.000 1.045 737 T CA -0.676 61.449 62.100 0.041 0.000 1.071 737 T CB 0.406 69.299 68.868 0.043 0.000 0.985 737 T HN 0.108 nan 8.240 nan 0.000 0.537 738 V N 2.305 122.241 119.914 0.037 0.000 2.465 738 V HA 0.362 4.483 4.120 0.001 0.000 0.279 738 V C 0.841 176.946 176.094 0.018 0.000 1.045 738 V CA -0.662 61.653 62.300 0.025 0.000 0.938 738 V CB 1.395 33.233 31.823 0.026 0.000 0.986 738 V HN 1.121 nan 8.190 nan 0.000 0.467 739 S N 3.447 119.147 115.700 -0.000 0.000 2.533 739 S HA 0.616 5.087 4.470 0.001 0.000 0.282 739 S C 0.269 174.845 174.600 -0.040 0.000 1.304 739 S CA 0.443 58.635 58.200 -0.014 0.000 1.063 739 S CB 0.098 63.268 63.200 -0.050 0.000 0.881 739 S HN 1.219 nan 8.310 nan 0.000 0.493 740 G N 2.557 111.355 108.800 -0.003 0.000 2.550 740 G HA2 0.519 4.479 3.960 0.001 0.000 0.293 740 G HA3 0.519 4.479 3.960 0.001 0.000 0.293 740 G C -2.225 172.736 174.900 0.101 0.000 1.402 740 G CA -0.740 44.361 45.100 0.001 0.000 0.784 740 G HN 0.757 nan 8.290 nan 0.000 0.482 741 L N 0.521 121.805 121.223 0.102 0.000 2.372 741 L HA 0.594 4.934 4.340 0.001 0.000 0.274 741 L C 1.149 178.075 176.870 0.093 0.000 0.988 741 L CA -0.719 54.211 54.840 0.149 0.000 0.833 741 L CB 1.937 44.117 42.059 0.202 0.000 1.236 741 L HN 0.623 nan 8.230 nan 0.000 0.410 742 M N 2.949 122.600 119.600 0.086 0.000 2.296 742 M HA 0.390 4.871 4.480 0.001 0.000 0.265 742 M C 0.670 177.022 176.300 0.085 0.000 1.064 742 M CA 1.190 56.537 55.300 0.077 0.000 1.109 742 M CB -0.353 32.298 32.600 0.084 0.000 1.396 742 M HN 0.689 nan 8.290 nan 0.000 0.430 743 G N -1.435 107.427 108.800 0.104 0.000 2.337 743 G HA2 0.399 4.359 3.960 0.001 0.000 0.298 743 G HA3 0.399 4.359 3.960 0.001 0.000 0.298 743 G C -2.077 172.895 174.900 0.119 0.000 1.335 743 G CA -0.952 44.208 45.100 0.099 0.000 0.875 743 G HN 0.225 nan 8.290 nan 0.000 0.579 744 L N -0.182 121.097 121.223 0.095 0.000 2.371 744 L HA 0.576 4.917 4.340 0.001 0.000 0.262 744 L C 0.355 177.265 176.870 0.067 0.000 1.006 744 L CA -1.141 53.754 54.840 0.091 0.000 0.818 744 L CB 2.433 44.532 42.059 0.067 0.000 1.354 744 L HN 0.515 nan 8.230 nan 0.000 0.415 745 K N 0.255 120.690 120.400 0.059 0.000 2.117 745 K HA 0.393 4.714 4.320 0.001 0.000 0.240 745 K C 0.882 177.492 176.600 0.017 0.000 1.031 745 K CA -0.049 56.251 56.287 0.022 0.000 0.909 745 K CB 0.877 33.378 32.500 0.003 0.000 1.097 745 K HN 0.730 nan 8.250 nan 0.000 0.492 746 A N 1.389 124.211 122.820 0.003 0.000 2.070 746 A HA -0.167 4.154 4.320 0.001 0.000 0.220 746 A C 1.317 178.904 177.584 0.005 0.000 1.159 746 A CA 2.000 54.039 52.037 0.003 0.000 0.656 746 A CB -0.573 18.424 19.000 -0.005 0.000 0.800 746 A HN 0.842 nan 8.150 nan 0.000 0.453 747 D N -2.455 117.948 120.400 0.005 0.000 2.340 747 D HA 0.273 4.914 4.640 0.001 0.000 0.220 747 D C 1.177 177.487 176.300 0.015 0.000 1.039 747 D CA 0.947 54.951 54.000 0.007 0.000 0.866 747 D CB -0.466 40.336 40.800 0.004 0.000 0.913 747 D HN 0.721 nan 8.370 nan 0.000 0.523 748 G N 0.108 108.921 108.800 0.022 0.000 2.194 748 G HA2 -0.266 3.695 3.960 0.001 0.000 0.236 748 G HA3 -0.266 3.695 3.960 0.001 0.000 0.236 748 G C 0.514 175.438 174.900 0.040 0.000 0.987 748 G CA 0.369 45.486 45.100 0.029 0.000 0.635 748 G HN 0.780 nan 8.290 nan 0.000 0.520 749 T N 0.792 115.374 114.554 0.046 0.000 2.913 749 T HA 0.625 4.976 4.350 0.001 0.000 0.297 749 T C -1.684 173.076 174.700 0.101 0.000 1.029 749 T CA -0.790 61.350 62.100 0.066 0.000 1.104 749 T CB 2.597 71.507 68.868 0.069 0.000 0.964 749 T HN 0.298 nan 8.240 nan 0.000 0.532 750 P HA 0.279 nan 4.420 nan 0.000 0.279 750 P C -1.185 176.292 177.300 0.295 0.000 1.276 750 P CA -0.876 62.316 63.100 0.152 0.000 0.801 750 P CB 1.129 32.878 31.700 0.081 0.000 1.127 751 W N 2.123 123.437 121.300 0.022 0.000 3.036 751 W HA 0.254 4.914 4.660 0.001 0.000 0.337 751 W C -2.691 173.850 176.519 0.035 0.000 1.055 751 W CA -2.200 55.162 57.345 0.028 0.000 1.248 751 W CB 2.265 31.745 29.460 0.034 0.000 1.335 751 W HN 0.275 nan 8.180 nan 0.000 0.446 752 P HA 0.245 nan 4.420 nan 0.000 0.269 752 P C -0.857 176.278 177.300 -0.276 0.000 1.209 752 P CA 0.103 62.692 63.100 -0.851 0.000 0.776 752 P CB 1.552 32.837 31.700 -0.692 0.000 0.876 753 A N 2.944 125.676 122.820 -0.147 0.000 2.304 753 A HA 0.558 4.879 4.320 0.001 0.000 0.314 753 A C -0.589 176.996 177.584 0.002 0.000 1.187 753 A CA -0.646 51.425 52.037 0.058 0.000 0.810 753 A CB 1.014 20.164 19.000 0.249 0.000 1.183 753 A HN 0.327 nan 8.150 nan 0.000 0.487 754 V N 2.287 122.190 119.914 -0.019 0.000 2.513 754 V HA 0.797 4.917 4.120 0.001 0.000 0.299 754 V C 0.913 177.007 176.094 0.001 0.000 1.035 754 V CA 0.637 62.923 62.300 -0.022 0.000 0.889 754 V CB 0.743 32.537 31.823 -0.049 0.000 0.988 754 V HN 2.125 nan 8.190 nan 0.000 0.440 755 G N 3.813 112.619 108.800 0.009 0.000 2.796 755 G HA2 0.121 4.082 3.960 0.001 0.000 0.226 755 G HA3 0.121 4.082 3.960 0.001 0.000 0.226 755 G C 0.837 175.750 174.900 0.021 0.000 1.381 755 G CA 0.017 45.124 45.100 0.011 0.000 0.867 755 G HN 1.547 nan 8.290 nan 0.000 0.552 756 A N -0.726 122.103 122.820 0.016 0.000 1.972 756 A HA 0.265 4.586 4.320 0.001 0.000 0.219 756 A C 2.746 180.340 177.584 0.018 0.000 1.169 756 A CA 2.543 54.590 52.037 0.017 0.000 0.635 756 A CB -0.748 18.259 19.000 0.011 0.000 0.810 756 A HN 2.362 nan 8.150 nan 0.000 0.446 757 G N -1.277 107.530 108.800 0.012 0.000 2.848 757 G HA2 0.149 4.109 3.960 0.001 0.000 0.208 757 G HA3 0.149 4.109 3.960 0.001 0.000 0.208 757 G C 0.585 175.496 174.900 0.017 0.000 1.152 757 G CA 0.354 45.461 45.100 0.011 0.000 0.789 757 G HN 0.541 nan 8.290 nan 0.000 0.531 758 K N -0.061 120.355 120.400 0.028 0.000 3.148 758 K HA -0.190 4.131 4.320 0.001 0.000 0.267 758 K C 0.313 176.930 176.600 0.028 0.000 0.996 758 K CA 0.435 56.748 56.287 0.045 0.000 0.737 758 K CB -0.942 31.593 32.500 0.059 0.000 1.308 758 K HN 0.477 nan 8.250 nan 0.000 0.470 759 R N -0.089 120.413 120.500 0.004 0.000 2.553 759 R HA 0.534 4.875 4.340 0.001 0.000 0.263 759 R C 0.527 176.805 176.300 -0.037 0.000 1.066 759 R CA -0.404 55.685 56.100 -0.019 0.000 1.135 759 R CB 1.569 31.852 30.300 -0.029 0.000 1.148 759 R HN 0.188 nan 8.270 nan 0.000 0.558 760 T N -1.109 113.407 114.554 -0.063 0.000 2.739 760 T HA 0.353 4.704 4.350 0.001 0.000 0.303 760 T C -1.442 173.175 174.700 -0.138 0.000 1.389 760 T CA -0.391 61.656 62.100 -0.088 0.000 1.001 760 T CB 2.062 70.888 68.868 -0.069 0.000 1.436 760 T HN 0.542 nan 8.240 nan 0.000 0.500 761 T N 0.332 114.795 114.554 -0.153 0.000 2.843 761 T HA 0.635 4.985 4.350 0.001 0.000 0.302 761 T C -1.491 173.105 174.700 -0.172 0.000 1.232 761 T CA -0.458 61.500 62.100 -0.237 0.000 1.009 761 T CB 0.513 69.294 68.868 -0.144 0.000 1.254 761 T HN 0.437 nan 8.240 nan 0.000 0.504 762 Y N 1.145 121.440 120.300 -0.009 0.000 2.712 762 Y HA 0.446 4.997 4.550 0.001 0.000 0.333 762 Y C 1.261 177.155 175.900 -0.010 0.000 1.225 762 Y CA 0.427 58.523 58.100 -0.006 0.000 1.499 762 Y CB 0.104 38.563 38.460 -0.002 0.000 1.288 762 Y HN 0.752 nan 8.280 nan 0.000 0.575 763 G N 0.501 109.400 108.800 0.165 0.000 2.932 763 G HA2 0.600 4.561 3.960 0.001 0.000 0.283 763 G HA3 0.600 4.561 3.960 0.001 0.000 0.283 763 G C -0.557 174.387 174.900 0.074 0.000 1.336 763 G CA -0.743 44.406 45.100 0.082 0.000 1.056 763 G HN 0.850 nan 8.290 nan 0.000 0.522 764 G N -1.021 107.811 108.800 0.053 0.000 2.368 764 G HA2 0.499 4.460 3.960 0.001 0.000 0.320 764 G HA3 0.499 4.460 3.960 0.001 0.000 0.320 764 G C -0.650 174.286 174.900 0.059 0.000 1.158 764 G CA -0.240 44.890 45.100 0.050 0.000 0.912 764 G HN 0.583 nan 8.290 nan 0.000 0.456 765 V N 2.129 122.078 119.914 0.058 0.000 2.465 765 V HA 0.595 4.716 4.120 0.001 0.000 0.279 765 V C 0.574 176.716 176.094 0.080 0.000 1.045 765 V CA -0.336 62.005 62.300 0.069 0.000 0.938 765 V CB 0.842 32.696 31.823 0.050 0.000 0.986 765 V HN 0.998 nan 8.190 nan 0.000 0.467 766 S N 2.834 118.604 115.700 0.116 0.000 2.704 766 S HA 1.019 5.490 4.470 0.001 0.000 0.296 766 S C -0.051 174.642 174.600 0.155 0.000 1.138 766 S CA -0.113 58.163 58.200 0.127 0.000 0.875 766 S CB 1.988 65.269 63.200 0.134 0.000 1.151 766 S HN 2.115 nan 8.310 nan 0.000 0.500 767 G N 0.387 109.278 108.800 0.150 0.000 2.566 767 G HA2 -0.025 3.936 3.960 0.001 0.000 0.599 767 G HA3 -0.025 3.936 3.960 0.001 0.000 0.599 767 G C 0.584 175.546 174.900 0.102 0.000 1.292 767 G CA 0.576 45.764 45.100 0.147 0.000 0.922 767 G HN 1.930 nan 8.290 nan 0.000 0.514 768 T N -1.804 112.802 114.554 0.086 0.000 2.849 768 T HA 0.140 4.491 4.350 0.001 0.000 0.270 768 T C 2.594 177.330 174.700 0.059 0.000 1.066 768 T CA 2.605 64.751 62.100 0.077 0.000 1.130 768 T CB -0.404 68.500 68.868 0.059 0.000 0.864 768 T HN 2.128 nan 8.240 nan 0.000 0.481 769 A N 2.078 124.921 122.820 0.038 0.000 2.019 769 A HA 0.155 4.475 4.320 0.001 0.000 0.219 769 A C 2.290 179.899 177.584 0.042 0.000 1.164 769 A CA 1.367 53.420 52.037 0.026 0.000 0.644 769 A CB -0.827 18.177 19.000 0.006 0.000 0.805 769 A HN 0.914 nan 8.150 nan 0.000 0.449 770 I N -4.506 116.101 120.570 0.062 0.000 3.928 770 I HA 0.269 4.439 4.170 0.001 0.000 0.335 770 I C 1.764 177.942 176.117 0.103 0.000 1.325 770 I CA 0.124 61.466 61.300 0.071 0.000 1.107 770 I CB -0.017 38.025 38.000 0.071 0.000 1.014 770 I HN 0.173 nan 8.210 nan 0.000 0.400 771 R N 2.175 122.748 120.500 0.122 0.000 2.091 771 R HA -0.078 4.262 4.340 0.001 0.000 0.238 771 R C -0.557 175.818 176.300 0.125 0.000 1.136 771 R CA 2.004 58.217 56.100 0.188 0.000 0.959 771 R CB -1.160 29.250 30.300 0.182 0.000 0.856 771 R HN 0.319 nan 8.270 nan 0.000 0.437 772 P HA -0.119 nan 4.420 nan 0.000 0.217 772 P C 1.040 178.360 177.300 0.033 0.000 1.150 772 P CA 1.281 64.395 63.100 0.023 0.000 0.832 772 P CB 0.002 31.713 31.700 0.017 0.000 0.787 773 I N -0.910 119.694 120.570 0.056 0.000 2.286 773 I HA -0.188 3.983 4.170 0.001 0.000 0.245 773 I C 2.300 178.469 176.117 0.087 0.000 1.104 773 I CA 1.334 62.668 61.300 0.058 0.000 1.397 773 I CB -0.750 37.282 38.000 0.054 0.000 1.072 773 I HN -0.092 nan 8.210 nan 0.000 0.417 774 A N 0.823 123.730 122.820 0.145 0.000 1.898 774 A HA -0.100 4.220 4.320 0.001 0.000 0.216 774 A C 2.313 180.055 177.584 0.263 0.000 1.181 774 A CA 1.131 53.308 52.037 0.233 0.000 0.620 774 A CB -0.735 18.460 19.000 0.326 0.000 0.819 774 A HN 0.344 nan 8.150 nan 0.000 0.442 775 L N -0.889 120.397 121.223 0.105 0.000 2.083 775 L HA -0.187 4.153 4.340 0.001 0.000 0.209 775 L C 2.830 179.666 176.870 -0.057 0.000 1.083 775 L CA 1.742 56.474 54.840 -0.179 0.000 0.752 775 L CB -0.373 41.485 42.059 -0.336 0.000 0.899 775 L HN 0.515 nan 8.230 nan 0.000 0.433 776 R N 0.187 120.684 120.500 -0.005 0.000 2.073 776 R HA -0.176 4.165 4.340 0.001 0.000 0.234 776 R C 2.301 178.620 176.300 0.031 0.000 1.134 776 R CA 1.446 57.551 56.100 0.008 0.000 0.952 776 R CB -0.247 30.062 30.300 0.016 0.000 0.850 776 R HN 0.314 nan 8.270 nan 0.000 0.433 777 A N 0.511 123.365 122.820 0.057 0.000 1.883 777 A HA -0.117 4.203 4.320 0.001 0.000 0.217 777 A C 2.302 179.931 177.584 0.075 0.000 1.186 777 A CA 1.741 53.818 52.037 0.067 0.000 0.624 777 A CB -0.688 18.361 19.000 0.081 0.000 0.822 777 A HN 0.239 nan 8.150 nan 0.000 0.444 778 V N 0.653 120.630 119.914 0.104 0.000 2.295 778 V HA -0.256 3.865 4.120 0.001 0.000 0.246 778 V C 3.050 179.180 176.094 0.061 0.000 1.049 778 V CA 2.556 64.920 62.300 0.107 0.000 1.024 778 V CB -1.435 30.509 31.823 0.203 0.000 0.648 778 V HN 0.863 nan 8.190 nan 0.000 0.447 779 T N -3.177 111.396 114.554 0.031 0.000 2.777 779 T HA -0.249 4.102 4.350 0.001 0.000 0.266 779 T C 1.938 176.652 174.700 0.024 0.000 1.040 779 T CA 2.103 64.213 62.100 0.017 0.000 1.141 779 T CB -0.726 68.139 68.868 -0.005 0.000 0.868 779 T HN 0.429 nan 8.240 nan 0.000 0.444 780 T N 0.885 115.455 114.554 0.027 0.000 2.821 780 T HA 0.087 4.438 4.350 0.001 0.000 0.267 780 T C 1.910 176.630 174.700 0.034 0.000 1.046 780 T CA 0.978 63.094 62.100 0.027 0.000 1.139 780 T CB -0.627 68.256 68.868 0.026 0.000 0.871 780 T HN 0.501 nan 8.240 nan 0.000 0.454 781 I N 1.024 121.624 120.570 0.049 0.000 2.286 781 I HA -0.034 4.137 4.170 0.001 0.000 0.245 781 I C 2.947 179.108 176.117 0.073 0.000 1.104 781 I CA 1.035 62.376 61.300 0.069 0.000 1.397 781 I CB -0.498 37.559 38.000 0.094 0.000 1.072 781 I HN 0.256 nan 8.210 nan 0.000 0.417 782 A N 0.994 123.850 122.820 0.061 0.000 1.933 782 A HA -0.200 4.121 4.320 0.001 0.000 0.218 782 A C 2.383 179.989 177.584 0.036 0.000 1.175 782 A CA 1.521 53.589 52.037 0.053 0.000 0.628 782 A CB -0.524 18.498 19.000 0.037 0.000 0.814 782 A HN 0.336 nan 8.150 nan 0.000 0.444 783 R N -0.795 119.720 120.500 0.025 0.000 2.090 783 R HA 0.057 4.398 4.340 0.001 0.000 0.228 783 R C 2.422 178.726 176.300 0.008 0.000 1.110 783 R CA 1.036 57.142 56.100 0.010 0.000 0.973 783 R CB -0.335 29.968 30.300 0.005 0.000 0.869 783 R HN 0.495 nan 8.270 nan 0.000 0.440 784 A N 0.893 123.721 122.820 0.013 0.000 1.930 784 A HA 0.040 4.361 4.320 0.001 0.000 0.215 784 A C 1.173 178.752 177.584 -0.007 0.000 1.176 784 A CA 0.755 52.792 52.037 0.001 0.000 0.632 784 A CB 0.135 19.136 19.000 0.002 0.000 0.819 784 A HN 0.142 nan 8.150 nan 0.000 0.445 785 L N 0.645 121.877 121.223 0.016 0.000 2.581 785 L HA 0.293 4.634 4.340 0.001 0.000 0.241 785 L C -2.784 174.126 176.870 0.066 0.000 1.265 785 L CA -1.920 52.925 54.840 0.009 0.000 0.954 785 L CB 1.186 43.239 42.059 -0.010 0.000 1.269 785 L HN -0.020 nan 8.230 nan 0.000 0.475 786 P HA 0.036 nan 4.420 nan 0.000 0.261 786 P C 1.092 178.429 177.300 0.061 0.000 1.183 786 P CA 0.974 64.097 63.100 0.038 0.000 0.761 786 P CB 0.831 32.537 31.700 0.011 0.000 0.785 787 G N 2.631 111.471 108.800 0.066 0.000 2.225 787 G HA2 -0.299 3.662 3.960 0.001 0.000 0.254 787 G HA3 -0.299 3.662 3.960 0.001 0.000 0.254 787 G C 0.057 175.036 174.900 0.131 0.000 0.988 787 G CA -0.464 44.679 45.100 0.071 0.000 0.625 787 G HN 0.526 nan 8.290 nan 0.000 0.527 788 F N 3.852 123.788 119.950 -0.025 0.000 2.502 788 F HA 0.545 5.072 4.527 0.001 0.000 0.371 788 F C -1.582 174.196 175.800 -0.036 0.000 1.083 788 F CA -2.883 55.102 58.000 -0.026 0.000 1.174 788 F CB 0.584 39.569 39.000 -0.024 0.000 1.096 788 F HN -0.061 nan 8.300 nan 0.000 0.545 789 P HA 0.109 nan 4.420 nan 0.000 0.262 789 P C -0.764 176.232 177.300 -0.508 0.000 1.182 789 P CA 0.623 63.486 63.100 -0.396 0.000 0.761 789 P CB 0.321 31.812 31.700 -0.347 0.000 0.795 790 I N 3.628 123.989 120.570 -0.350 0.000 2.466 790 I HA 0.269 4.439 4.170 0.001 0.000 0.289 790 I C -0.641 175.288 176.117 -0.314 0.000 1.026 790 I CA -0.935 60.191 61.300 -0.290 0.000 1.078 790 I CB 1.732 39.653 38.000 -0.131 0.000 1.249 790 I HN 0.023 nan 8.210 nan 0.000 0.429 791 L N 5.968 126.990 121.223 -0.336 0.000 2.265 791 L HA 0.630 4.970 4.340 0.001 0.000 0.289 791 L C 0.439 177.201 176.870 -0.179 0.000 1.033 791 L CA -0.075 54.576 54.840 -0.315 0.000 0.814 791 L CB 1.433 43.267 42.059 -0.375 0.000 1.203 791 L HN 0.645 nan 8.230 nan 0.000 0.423 792 A N 2.504 125.220 122.820 -0.174 0.000 2.340 792 A HA 0.823 5.144 4.320 0.001 0.000 0.268 792 A C -0.023 177.385 177.584 -0.293 0.000 1.100 792 A CA -0.144 51.754 52.037 -0.231 0.000 0.803 792 A CB 0.459 19.251 19.000 -0.346 0.000 1.043 792 A HN 0.628 nan 8.150 nan 0.000 0.488 793 T N 0.319 114.691 114.554 -0.304 0.000 3.172 793 T HA 0.634 4.984 4.350 0.001 0.000 0.320 793 T C -0.348 174.246 174.700 -0.177 0.000 1.085 793 T CA 0.230 62.203 62.100 -0.212 0.000 1.052 793 T CB 1.612 70.436 68.868 -0.073 0.000 1.107 793 T HN 2.093 nan 8.240 nan 0.000 0.458 794 G N 1.015 109.723 108.800 -0.153 0.000 2.273 794 G HA2 0.454 4.415 3.960 0.001 0.000 0.208 794 G HA3 0.454 4.415 3.960 0.001 0.000 0.208 794 G C 0.604 175.540 174.900 0.061 0.000 1.779 794 G CA 0.155 45.251 45.100 -0.006 0.000 1.173 794 G HN 1.594 nan 8.290 nan 0.000 0.616 795 G N 0.005 108.846 108.800 0.069 0.000 2.147 795 G HA2 -0.215 3.746 3.960 0.001 0.000 0.244 795 G HA3 -0.215 3.746 3.960 0.001 0.000 0.244 795 G C 0.482 175.451 174.900 0.115 0.000 1.005 795 G CA 0.347 45.516 45.100 0.116 0.000 0.713 795 G HN 1.400 nan 8.290 nan 0.000 0.515 796 I N 1.575 122.162 120.570 0.029 0.000 2.379 796 I HA 0.315 4.486 4.170 0.001 0.000 0.290 796 I C 0.536 176.663 176.117 0.017 0.000 1.063 796 I CA 0.226 61.532 61.300 0.010 0.000 1.351 796 I CB 0.916 38.857 38.000 -0.099 0.000 1.410 796 I HN 0.273 nan 8.210 nan 0.000 0.505 797 D N 3.574 123.966 120.400 -0.014 0.000 2.636 797 D HA 0.134 4.775 4.640 0.001 0.000 0.270 797 D C -0.233 176.020 176.300 -0.078 0.000 1.430 797 D CA -0.201 53.813 54.000 0.024 0.000 0.796 797 D CB 0.313 41.185 40.800 0.121 0.000 1.117 797 D HN 0.462 nan 8.370 nan 0.000 0.480 798 S N -2.249 113.218 115.700 -0.388 0.000 2.645 798 S HA 0.575 5.045 4.470 0.001 0.000 0.268 798 S C 0.732 175.144 174.600 -0.313 0.000 1.110 798 S CA -0.427 57.590 58.200 -0.305 0.000 0.823 798 S CB 0.889 64.078 63.200 -0.020 0.000 1.091 798 S HN 0.161 nan 8.310 nan 0.000 0.466 799 A N 0.745 123.489 122.820 -0.126 0.000 1.930 799 A HA -0.015 4.306 4.320 0.001 0.000 0.217 799 A C 1.940 179.568 177.584 0.073 0.000 1.175 799 A CA 1.788 53.857 52.037 0.053 0.000 0.627 799 A CB -1.056 18.008 19.000 0.107 0.000 0.815 799 A HN 0.929 nan 8.150 nan 0.000 0.443 800 E N 0.706 120.929 120.200 0.038 0.000 2.051 800 E HA -0.197 4.153 4.350 0.001 0.000 0.192 800 E C 2.206 178.840 176.600 0.057 0.000 0.991 800 E CA 1.898 58.325 56.400 0.045 0.000 0.799 800 E CB -0.170 29.550 29.700 0.033 0.000 0.748 800 E HN 0.698 nan 8.360 nan 0.000 0.449 801 S N -0.279 115.458 115.700 0.062 0.000 2.402 801 S HA -0.039 4.432 4.470 0.001 0.000 0.229 801 S C 2.179 176.903 174.600 0.207 0.000 1.021 801 S CA 0.949 59.221 58.200 0.120 0.000 0.974 801 S CB -0.653 62.623 63.200 0.126 0.000 0.800 801 S HN 0.381 nan 8.310 nan 0.000 0.484 802 G N 1.969 110.856 108.800 0.146 0.000 2.418 802 G HA2 -0.115 3.845 3.960 0.001 0.000 0.217 802 G HA3 -0.115 3.845 3.960 0.001 0.000 0.217 802 G C 1.352 176.312 174.900 0.101 0.000 1.158 802 G CA 0.952 46.150 45.100 0.162 0.000 0.771 802 G HN 0.486 nan 8.290 nan 0.000 0.545 803 L N 0.460 121.703 121.223 0.034 0.000 2.191 803 L HA -0.000 4.341 4.340 0.001 0.000 0.212 803 L C 2.778 179.577 176.870 -0.118 0.000 1.103 803 L CA 1.697 56.468 54.840 -0.114 0.000 0.769 803 L CB -0.512 41.465 42.059 -0.137 0.000 0.908 803 L HN 0.319 nan 8.230 nan 0.000 0.438 804 Q N -1.404 118.408 119.800 0.020 0.000 2.084 804 Q HA -0.200 4.141 4.340 0.001 0.000 0.202 804 Q C 2.162 178.132 176.000 -0.050 0.000 0.978 804 Q CA 1.958 57.766 55.803 0.009 0.000 0.844 804 Q CB -0.266 28.436 28.738 -0.059 0.000 0.898 804 Q HN 0.507 nan 8.270 nan 0.000 0.426 805 F N 0.459 120.405 119.950 -0.007 0.000 2.206 805 F HA -0.133 4.394 4.527 0.001 0.000 0.298 805 F C 2.017 177.795 175.800 -0.037 0.000 1.090 805 F CA 0.821 58.811 58.000 -0.016 0.000 1.323 805 F CB -0.102 38.877 39.000 -0.034 0.000 1.028 805 F HN 0.006 nan 8.300 nan 0.000 0.492 806 L N -1.027 120.247 121.223 0.085 0.000 2.046 806 L HA -0.255 4.086 4.340 0.001 0.000 0.208 806 L C 2.274 179.171 176.870 0.045 0.000 1.077 806 L CA 1.599 56.433 54.840 -0.011 0.000 0.747 806 L CB -0.954 41.032 42.059 -0.121 0.000 0.896 806 L HN 0.221 nan 8.230 nan 0.000 0.432 807 H N -1.134 117.943 119.070 0.012 0.000 2.456 807 H HA -0.106 4.450 4.556 0.001 0.000 0.296 807 H C 2.201 177.528 175.328 -0.002 0.000 1.079 807 H CA 0.938 56.991 56.048 0.008 0.000 1.322 807 H CB 0.273 30.043 29.762 0.013 0.000 1.388 807 H HN 0.248 nan 8.280 nan 0.000 0.538 808 S N -1.175 114.588 115.700 0.105 0.000 2.562 808 S HA 0.089 4.559 4.470 0.001 0.000 0.221 808 S C 1.626 176.251 174.600 0.042 0.000 0.975 808 S CA 0.627 58.849 58.200 0.035 0.000 0.918 808 S CB 0.746 63.914 63.200 -0.054 0.000 0.772 808 S HN 0.777 nan 8.310 nan 0.000 0.531 809 G N 0.576 109.406 108.800 0.050 0.000 2.260 809 G HA2 -0.043 3.918 3.960 0.001 0.000 0.179 809 G HA3 -0.043 3.918 3.960 0.001 0.000 0.179 809 G C 0.110 175.010 174.900 0.001 0.000 1.002 809 G CA -0.277 44.839 45.100 0.026 0.000 0.677 809 G HN 0.720 nan 8.290 nan 0.000 0.486 810 A N 0.356 123.186 122.820 0.016 0.000 2.322 810 A HA 0.821 5.142 4.320 0.001 0.000 0.269 810 A C 1.314 178.832 177.584 -0.111 0.000 1.094 810 A CA 1.054 53.065 52.037 -0.044 0.000 0.807 810 A CB 1.006 20.013 19.000 0.011 0.000 1.047 810 A HN 0.709 nan 8.150 nan 0.000 0.487 811 S N -0.860 114.717 115.700 -0.205 0.000 2.502 811 S HA 0.212 4.683 4.470 0.001 0.000 0.228 811 S C 0.696 175.079 174.600 -0.362 0.000 1.061 811 S CA 0.778 58.824 58.200 -0.258 0.000 0.935 811 S CB -0.019 63.008 63.200 -0.288 0.000 0.809 811 S HN 1.166 nan 8.310 nan 0.000 0.510 812 V N -0.303 119.355 119.914 -0.426 0.000 3.074 812 V HA 0.719 4.840 4.120 0.001 0.000 0.314 812 V C -1.428 174.533 176.094 -0.222 0.000 1.117 812 V CA -1.182 60.850 62.300 -0.447 0.000 1.014 812 V CB 1.684 32.977 31.823 -0.884 0.000 1.057 812 V HN 0.147 nan 8.190 nan 0.000 0.438 813 L N 1.865 123.049 121.223 -0.064 0.000 2.372 813 L HA 0.595 4.936 4.340 0.001 0.000 0.274 813 L C -0.272 176.682 176.870 0.140 0.000 0.988 813 L CA -0.414 54.402 54.840 -0.041 0.000 0.833 813 L CB 1.709 43.675 42.059 -0.155 0.000 1.236 813 L HN 0.710 nan 8.230 nan 0.000 0.410 814 Q N 2.382 122.231 119.800 0.081 0.000 2.235 814 Q HA 0.676 5.017 4.340 0.001 0.000 0.250 814 Q C -0.999 175.031 176.000 0.050 0.000 0.909 814 Q CA -0.660 55.191 55.803 0.079 0.000 0.910 814 Q CB 3.070 31.859 28.738 0.084 0.000 1.223 814 Q HN 0.396 nan 8.270 nan 0.000 0.432 815 V N 1.216 121.181 119.914 0.084 0.000 2.709 815 V HA 0.305 4.425 4.120 0.001 0.000 0.308 815 V C -0.256 175.860 176.094 0.037 0.000 1.062 815 V CA -0.595 61.783 62.300 0.130 0.000 0.901 815 V CB 1.640 33.700 31.823 0.396 0.000 1.003 815 V HN 1.116 nan 8.190 nan 0.000 0.425 816 C N 2.279 121.607 119.300 0.047 0.000 3.066 816 C HA 0.105 4.566 4.460 0.001 0.000 0.277 816 C C 2.618 177.617 174.990 0.015 0.000 2.279 816 C CA 1.287 60.303 59.018 -0.002 0.000 1.720 816 C CB 0.545 28.272 27.740 -0.022 0.000 1.478 816 C HN 0.829 nan 8.230 nan 0.000 0.723 817 S N 1.696 117.431 115.700 0.057 0.000 2.387 817 S HA -0.138 4.332 4.470 0.001 0.000 0.230 817 S C 1.969 176.689 174.600 0.200 0.000 1.035 817 S CA 1.850 60.129 58.200 0.132 0.000 1.014 817 S CB -0.627 62.753 63.200 0.299 0.000 0.836 817 S HN 0.884 nan 8.310 nan 0.000 0.466 818 A N 0.605 123.547 122.820 0.204 0.000 2.019 818 A HA -0.013 4.308 4.320 0.001 0.000 0.219 818 A C 2.258 179.967 177.584 0.209 0.000 1.164 818 A CA 1.279 53.461 52.037 0.241 0.000 0.644 818 A CB -0.545 18.645 19.000 0.317 0.000 0.805 818 A HN 0.377 nan 8.150 nan 0.000 0.449 819 V N -0.452 119.558 119.914 0.161 0.000 2.535 819 V HA -0.215 3.906 4.120 0.001 0.000 0.246 819 V C 2.488 178.565 176.094 -0.029 0.000 1.045 819 V CA 1.797 64.147 62.300 0.084 0.000 1.058 819 V CB -0.693 31.165 31.823 0.059 0.000 0.689 819 V HN 0.613 nan 8.190 nan 0.000 0.461 820 Q N -0.037 119.720 119.800 -0.071 0.000 2.170 820 Q HA -0.173 4.167 4.340 0.001 0.000 0.203 820 Q C 1.894 177.886 176.000 -0.013 0.000 0.976 820 Q CA 1.227 56.921 55.803 -0.182 0.000 0.858 820 Q CB -0.186 28.235 28.738 -0.527 0.000 0.907 820 Q HN 0.565 nan 8.270 nan 0.000 0.433 821 N N -0.487 118.299 118.700 0.144 0.000 2.494 821 N HA -0.071 4.670 4.740 0.001 0.000 0.182 821 N C 0.979 176.553 175.510 0.106 0.000 1.076 821 N CA 0.736 53.915 53.050 0.215 0.000 0.908 821 N CB 0.535 39.168 38.487 0.243 0.000 0.967 821 N HN 0.193 nan 8.380 nan 0.000 0.449 822 Q N -0.089 119.745 119.800 0.056 0.000 1.683 822 Q HA 0.173 4.514 4.340 0.001 0.000 0.160 822 Q C -1.487 174.489 176.000 -0.040 0.000 0.438 822 Q CA 0.139 55.955 55.803 0.021 0.000 0.652 822 Q CB 0.574 29.338 28.738 0.044 0.000 1.121 822 Q HN 0.208 nan 8.270 nan 0.000 0.179 823 D N -2.260 118.118 120.400 -0.036 0.000 2.769 823 D HA 0.198 4.839 4.640 0.001 0.000 0.309 823 D C -0.331 175.996 176.300 0.045 0.000 1.315 823 D CA -0.581 53.346 54.000 -0.122 0.000 0.780 823 D CB -0.542 40.198 40.800 -0.099 0.000 1.312 823 D HN 0.131 nan 8.370 nan 0.000 0.437 824 F N 0.151 120.150 119.950 0.082 0.000 2.333 824 F HA -0.023 4.504 4.527 0.001 0.000 0.300 824 F C 2.671 178.627 175.800 0.261 0.000 1.083 824 F CA 1.567 59.708 58.000 0.236 0.000 1.395 824 F CB -1.178 37.914 39.000 0.154 0.000 1.056 824 F HN 0.646 nan 8.300 nan 0.000 0.529 825 T N -2.010 112.690 114.554 0.244 0.000 3.025 825 T HA -0.092 4.258 4.350 0.001 0.000 0.270 825 T C 1.905 176.540 174.700 -0.109 0.000 1.126 825 T CA 1.049 63.190 62.100 0.067 0.000 1.105 825 T CB -1.254 67.630 68.868 0.026 0.000 0.884 825 T HN 0.206 nan 8.240 nan 0.000 0.522 826 V N -0.728 119.093 119.914 -0.156 0.000 2.867 826 V HA -0.012 4.109 4.120 0.001 0.000 0.260 826 V C 2.319 177.777 176.094 -1.060 0.000 1.099 826 V CA 1.006 62.985 62.300 -0.535 0.000 1.122 826 V CB -1.371 30.122 31.823 -0.549 0.000 0.708 826 V HN 0.443 nan 8.190 nan 0.000 0.490 827 I N 0.898 120.934 120.570 -0.890 0.000 2.335 827 I HA -0.229 3.942 4.170 0.001 0.000 0.251 827 I C 2.510 178.225 176.117 -0.670 0.000 1.129 827 I CA 2.036 62.638 61.300 -1.163 0.000 1.402 827 I CB -0.633 36.513 38.000 -1.425 0.000 1.069 827 I HN 0.455 nan 8.210 nan 0.000 0.424 828 Q N 0.255 119.805 119.800 -0.418 0.000 2.084 828 Q HA -0.282 4.058 4.340 0.001 0.000 0.202 828 Q C 1.880 177.757 176.000 -0.205 0.000 0.978 828 Q CA 2.340 58.004 55.803 -0.231 0.000 0.844 828 Q CB -0.373 28.283 28.738 -0.137 0.000 0.898 828 Q HN 0.686 nan 8.270 nan 0.000 0.426 829 D N -0.829 119.412 120.400 -0.265 0.000 2.117 829 D HA -0.179 4.461 4.640 0.001 0.000 0.198 829 D C 1.596 177.862 176.300 -0.057 0.000 0.982 829 D CA 1.167 55.085 54.000 -0.136 0.000 0.828 829 D CB -0.128 40.599 40.800 -0.122 0.000 0.967 829 D HN 0.256 nan 8.370 nan 0.000 0.464 830 Y N 0.440 120.497 120.300 -0.405 0.000 2.181 830 Y HA -0.113 4.438 4.550 0.001 0.000 0.288 830 Y C 2.760 178.384 175.900 -0.460 0.000 1.146 830 Y CA 0.188 57.880 58.100 -0.680 0.000 1.164 830 Y CB -1.242 36.297 38.460 -1.536 0.000 0.982 830 Y HN 0.224 nan 8.280 nan 0.000 0.515 831 C N -0.261 118.935 119.300 -0.174 0.000 2.453 831 C HA -0.149 4.311 4.460 0.001 0.000 0.277 831 C C 2.887 177.935 174.990 0.096 0.000 1.262 831 C CA 1.840 60.881 59.018 0.039 0.000 1.718 831 C CB -1.384 26.362 27.740 0.010 0.000 2.031 831 C HN 0.703 nan 8.230 nan 0.000 0.480 832 T N -0.679 113.921 114.554 0.078 0.000 2.867 832 T HA -0.026 4.324 4.350 0.001 0.000 0.268 832 T C 1.924 176.753 174.700 0.215 0.000 1.057 832 T CA 1.789 63.996 62.100 0.178 0.000 1.136 832 T CB -0.759 68.217 68.868 0.180 0.000 0.874 832 T HN 0.518 nan 8.240 nan 0.000 0.466 833 G N 1.405 110.297 108.800 0.152 0.000 2.418 833 G HA2 -0.070 3.891 3.960 0.001 0.000 0.217 833 G HA3 -0.070 3.891 3.960 0.001 0.000 0.217 833 G C 1.443 176.428 174.900 0.141 0.000 1.158 833 G CA 0.890 46.078 45.100 0.147 0.000 0.771 833 G HN 0.461 nan 8.290 nan 0.000 0.545 834 L N 0.560 121.882 121.223 0.166 0.000 2.109 834 L HA 0.157 4.497 4.340 0.001 0.000 0.207 834 L C 2.709 179.652 176.870 0.122 0.000 1.086 834 L CA 1.727 56.670 54.840 0.172 0.000 0.760 834 L CB -0.472 41.755 42.059 0.280 0.000 0.910 834 L HN 0.128 nan 8.230 nan 0.000 0.437 835 K N -0.545 119.925 120.400 0.117 0.000 2.063 835 K HA -0.146 4.175 4.320 0.001 0.000 0.208 835 K C 2.081 178.702 176.600 0.035 0.000 1.048 835 K CA 1.431 57.761 56.287 0.072 0.000 0.928 835 K CB -0.428 32.105 32.500 0.055 0.000 0.713 835 K HN 0.457 nan 8.250 nan 0.000 0.442 836 A N 1.510 124.332 122.820 0.003 0.000 1.902 836 A HA -0.139 4.182 4.320 0.001 0.000 0.217 836 A C 2.163 179.799 177.584 0.088 0.000 1.181 836 A CA 1.273 53.286 52.037 -0.041 0.000 0.623 836 A CB -0.675 18.336 19.000 0.019 0.000 0.818 836 A HN 0.158 nan 8.150 nan 0.000 0.443 837 L N -0.644 120.639 121.223 0.099 0.000 2.046 837 L HA -0.195 4.146 4.340 0.001 0.000 0.208 837 L C 2.573 179.494 176.870 0.085 0.000 1.077 837 L CA 1.127 56.027 54.840 0.099 0.000 0.747 837 L CB -0.494 41.616 42.059 0.085 0.000 0.896 837 L HN 0.387 nan 8.230 nan 0.000 0.432 838 L N -1.947 119.325 121.223 0.080 0.000 2.072 838 L HA -0.240 4.101 4.340 0.001 0.000 0.205 838 L C 2.605 179.514 176.870 0.065 0.000 1.079 838 L CA 1.187 56.065 54.840 0.063 0.000 0.752 838 L CB -0.678 41.417 42.059 0.060 0.000 0.906 838 L HN 0.189 nan 8.230 nan 0.000 0.436 839 Y N 1.079 121.358 120.300 -0.036 0.000 2.097 839 Y HA -0.265 4.286 4.550 0.001 0.000 0.282 839 Y C 2.393 178.258 175.900 -0.058 0.000 1.152 839 Y CA 1.611 59.678 58.100 -0.056 0.000 1.136 839 Y CB -0.261 38.139 38.460 -0.100 0.000 0.975 839 Y HN -0.012 nan 8.280 nan 0.000 0.498 840 L N 0.217 121.480 121.223 0.067 0.000 2.261 840 L HA -0.250 4.091 4.340 0.001 0.000 0.216 840 L C 2.145 178.943 176.870 -0.121 0.000 1.114 840 L CA 1.457 56.270 54.840 -0.044 0.000 0.777 840 L CB -0.501 41.576 42.059 0.030 0.000 0.910 840 L HN 0.205 nan 8.230 nan 0.000 0.440 841 K N -0.278 120.074 120.400 -0.080 0.000 2.442 841 K HA -0.082 4.239 4.320 0.001 0.000 0.198 841 K C 2.053 178.576 176.600 -0.128 0.000 1.042 841 K CA 1.329 57.573 56.287 -0.071 0.000 0.958 841 K CB -0.032 32.458 32.500 -0.016 0.000 0.766 841 K HN 0.368 nan 8.250 nan 0.000 0.474 842 S N 0.058 115.629 115.700 -0.215 0.000 2.535 842 S HA 0.117 4.588 4.470 0.001 0.000 0.214 842 S C 0.624 175.062 174.600 -0.271 0.000 0.980 842 S CA -0.341 57.715 58.200 -0.241 0.000 0.907 842 S CB 0.172 63.191 63.200 -0.302 0.000 0.790 842 S HN -0.032 nan 8.310 nan 0.000 0.510 843 I N 3.040 123.433 120.570 -0.295 0.000 2.291 843 I HA 0.323 4.493 4.170 0.001 0.000 0.292 843 I C 1.388 177.329 176.117 -0.294 0.000 1.064 843 I CA -0.190 60.934 61.300 -0.295 0.000 1.269 843 I CB 0.522 38.352 38.000 -0.284 0.000 1.418 843 I HN 0.400 nan 8.210 nan 0.000 0.485 844 E N 4.299 124.334 120.200 -0.275 0.000 2.110 844 E HA -0.226 4.124 4.350 0.001 0.000 0.193 844 E C 0.966 177.379 176.600 -0.312 0.000 0.988 844 E CA 1.536 57.789 56.400 -0.245 0.000 0.804 844 E CB 0.480 30.062 29.700 -0.196 0.000 0.745 844 E HN 0.572 nan 8.360 nan 0.000 0.458 845 E N -0.107 119.789 120.200 -0.507 0.000 2.409 845 E HA -0.064 4.286 4.350 0.001 0.000 0.198 845 E C 0.883 177.195 176.600 -0.481 0.000 1.024 845 E CA 0.556 56.591 56.400 -0.609 0.000 0.861 845 E CB 0.135 29.066 29.700 -1.282 0.000 0.788 845 E HN 0.321 nan 8.360 nan 0.000 0.521 846 L N 0.373 121.314 121.223 -0.470 0.000 3.066 846 L HA 0.203 4.543 4.340 0.001 0.000 0.265 846 L C 1.205 177.907 176.870 -0.280 0.000 1.232 846 L CA -0.072 54.444 54.840 -0.540 0.000 1.031 846 L CB 0.202 41.722 42.059 -0.898 0.000 1.379 846 L HN 0.028 nan 8.230 nan 0.000 0.563 847 Q N 0.623 120.336 119.800 -0.145 0.000 2.291 847 Q HA -0.097 4.244 4.340 0.001 0.000 0.206 847 Q C 2.129 178.167 176.000 0.063 0.000 0.976 847 Q CA 1.364 57.141 55.803 -0.043 0.000 0.875 847 Q CB 0.014 28.721 28.738 -0.052 0.000 0.927 847 Q HN 0.647 nan 8.270 nan 0.000 0.450 848 G N -0.476 108.405 108.800 0.135 0.000 2.650 848 G HA2 -0.110 3.850 3.960 0.001 0.000 0.214 848 G HA3 -0.110 3.850 3.960 0.001 0.000 0.214 848 G C -0.265 174.827 174.900 0.319 0.000 1.136 848 G CA -0.339 44.881 45.100 0.200 0.000 0.789 848 G HN 0.101 nan 8.290 nan 0.000 0.536 849 W N 0.286 121.604 121.300 0.030 0.000 2.161 849 W HA 0.473 5.134 4.660 0.001 0.000 0.344 849 W C -0.357 176.194 176.519 0.053 0.000 1.262 849 W CA -1.290 56.088 57.345 0.056 0.000 1.270 849 W CB 0.574 30.078 29.460 0.074 0.000 1.126 849 W HN -0.079 nan 8.180 nan 0.000 0.598 850 D N 0.432 121.003 120.400 0.285 0.000 2.472 850 D HA 0.413 5.054 4.640 0.001 0.000 0.234 850 D C 0.819 177.250 176.300 0.219 0.000 1.088 850 D CA 0.683 54.796 54.000 0.188 0.000 0.882 850 D CB 0.158 41.028 40.800 0.116 0.000 1.037 850 D HN 0.544 nan 8.370 nan 0.000 0.520 851 G N 3.965 112.896 108.800 0.219 0.000 2.591 851 G HA2 -0.360 3.601 3.960 0.001 0.000 0.298 851 G HA3 -0.360 3.601 3.960 0.001 0.000 0.298 851 G C 0.730 175.826 174.900 0.327 0.000 1.195 851 G CA 0.400 45.625 45.100 0.209 0.000 0.989 851 G HN 0.548 nan 8.290 nan 0.000 0.551 852 Q N 0.523 120.496 119.800 0.289 0.000 2.320 852 Q HA 0.313 4.654 4.340 0.001 0.000 0.201 852 Q C 0.471 176.773 176.000 0.503 0.000 0.910 852 Q CA 0.468 56.534 55.803 0.439 0.000 0.946 852 Q CB 0.411 29.287 28.738 0.230 0.000 1.062 852 Q HN 0.311 nan 8.270 nan 0.000 0.503 853 S N 2.571 118.472 115.700 0.335 0.000 2.452 853 S HA 0.311 4.781 4.470 0.001 0.000 0.284 853 S C -2.322 172.088 174.600 -0.317 0.000 1.171 853 S CA -1.149 57.133 58.200 0.138 0.000 1.064 853 S CB 1.035 64.338 63.200 0.172 0.000 0.967 853 S HN 0.023 nan 8.310 nan 0.000 0.484 854 P HA 0.162 nan 4.420 nan 0.000 0.272 854 P C 0.297 177.230 177.300 -0.612 0.000 1.230 854 P CA -0.207 61.920 63.100 -1.622 0.000 0.788 854 P CB 0.367 31.256 31.700 -1.353 0.000 0.949 855 G N 1.269 109.825 108.800 -0.407 0.000 2.305 855 G HA2 0.098 4.059 3.960 0.001 0.000 0.243 855 G HA3 0.098 4.059 3.960 0.001 0.000 0.243 855 G C -0.192 174.650 174.900 -0.096 0.000 1.288 855 G CA -0.036 44.995 45.100 -0.115 0.000 0.901 855 G HN 0.361 nan 8.290 nan 0.000 0.516 856 T N 2.965 117.499 114.554 -0.034 0.000 2.853 856 T HA 0.192 4.543 4.350 0.001 0.000 0.298 856 T C 0.339 175.063 174.700 0.039 0.000 0.978 856 T CA 0.449 62.556 62.100 0.012 0.000 1.152 856 T CB 0.758 69.656 68.868 0.049 0.000 0.914 856 T HN 0.572 nan 8.240 nan 0.000 0.539 857 E N 1.783 122.023 120.200 0.067 0.000 2.202 857 E HA 0.358 4.709 4.350 0.001 0.000 0.272 857 E C -0.018 176.662 176.600 0.134 0.000 0.951 857 E CA -0.816 55.629 56.400 0.074 0.000 0.813 857 E CB 1.108 30.837 29.700 0.049 0.000 1.151 857 E HN 0.702 nan 8.360 nan 0.000 0.398 858 S N 2.316 118.054 115.700 0.062 0.000 2.626 858 S HA 0.008 4.478 4.470 0.001 0.000 0.303 858 S C -0.367 174.272 174.600 0.065 0.000 1.256 858 S CA 0.134 58.340 58.200 0.010 0.000 1.069 858 S CB -0.285 62.909 63.200 -0.009 0.000 0.807 858 S HN 0.675 nan 8.310 nan 0.000 0.500 859 H N -0.416 118.656 119.070 0.002 0.000 2.981 859 H HA 0.705 5.262 4.556 0.001 0.000 0.327 859 H C -1.484 173.847 175.328 0.005 0.000 1.342 859 H CA -1.084 54.966 56.048 0.004 0.000 1.123 859 H CB 0.944 30.709 29.762 0.004 0.000 1.851 859 H HN 0.449 nan 8.280 nan 0.000 0.531 860 Q N 0.953 120.842 119.800 0.147 0.000 2.269 860 Q HA 0.278 4.618 4.340 0.001 0.000 0.263 860 Q C -0.776 175.336 176.000 0.186 0.000 0.983 860 Q CA -0.658 55.204 55.803 0.099 0.000 0.777 860 Q CB 2.038 30.796 28.738 0.032 0.000 1.273 860 Q HN 0.904 nan 8.270 nan 0.000 0.440 861 K N 0.962 121.482 120.400 0.200 0.000 3.160 861 K HA -0.286 4.034 4.320 0.001 0.000 0.280 861 K C 0.687 177.335 176.600 0.080 0.000 1.154 861 K CA 0.693 57.047 56.287 0.112 0.000 0.822 861 K CB -1.409 31.123 32.500 0.053 0.000 1.239 861 K HN 1.136 nan 8.250 nan 0.000 0.489 862 G N 0.034 108.898 108.800 0.106 0.000 2.205 862 G HA2 -0.358 3.602 3.960 0.001 0.000 0.261 862 G HA3 -0.358 3.602 3.960 0.001 0.000 0.261 862 G C -0.053 174.816 174.900 -0.050 0.000 0.980 862 G CA 0.904 45.883 45.100 -0.201 0.000 0.632 862 G HN 0.322 nan 8.290 nan 0.000 0.533 863 K N 1.404 121.848 120.400 0.074 0.000 2.201 863 K HA 0.457 4.778 4.320 0.001 0.000 0.278 863 K C -2.557 174.110 176.600 0.112 0.000 1.027 863 K CA -2.002 54.330 56.287 0.075 0.000 0.909 863 K CB 1.404 33.945 32.500 0.068 0.000 1.062 863 K HN -0.008 nan 8.250 nan 0.000 0.465 864 P HA -0.122 nan 4.420 nan 0.000 0.262 864 P C -0.382 176.958 177.300 0.067 0.000 1.182 864 P CA -0.222 62.929 63.100 0.086 0.000 0.761 864 P CB 0.353 32.087 31.700 0.058 0.000 0.795 865 V N 2.598 122.546 119.914 0.057 0.000 2.775 865 V HA 0.387 4.508 4.120 0.001 0.000 0.299 865 V C -2.235 173.872 176.094 0.022 0.000 1.062 865 V CA -2.125 60.192 62.300 0.029 0.000 1.063 865 V CB -0.230 31.597 31.823 0.007 0.000 0.994 865 V HN 0.384 nan 8.190 nan 0.000 0.483 866 P HA 0.283 nan 4.420 nan 0.000 0.267 866 P C -0.080 177.223 177.300 0.005 0.000 1.205 866 P CA 0.008 63.115 63.100 0.012 0.000 0.765 866 P CB 0.245 31.950 31.700 0.008 0.000 0.828 867 R N 2.696 123.199 120.500 0.006 0.000 2.788 867 R HA 0.212 4.552 4.340 0.001 0.000 0.264 867 R C 0.372 176.670 176.300 -0.003 0.000 1.267 867 R CA -0.280 55.821 56.100 0.001 0.000 1.213 867 R CB -0.461 29.840 30.300 0.001 0.000 1.256 867 R HN 0.507 nan 8.270 nan 0.000 0.556 868 I N 0.596 121.164 120.570 -0.003 0.000 2.648 868 I HA -0.071 4.099 4.170 0.001 0.000 0.284 868 I C 1.608 177.721 176.117 -0.007 0.000 1.153 868 I CA 0.030 61.327 61.300 -0.004 0.000 1.426 868 I CB 1.118 39.116 38.000 -0.003 0.000 1.381 868 I HN 0.221 nan 8.210 nan 0.000 0.571 869 A N 4.653 127.469 122.820 -0.007 0.000 1.969 869 A HA -0.115 4.206 4.320 0.001 0.000 0.218 869 A C 1.866 179.444 177.584 -0.010 0.000 1.169 869 A CA 1.097 53.129 52.037 -0.008 0.000 0.635 869 A CB -0.381 18.615 19.000 -0.007 0.000 0.810 869 A HN 0.806 nan 8.150 nan 0.000 0.445 870 E N -0.391 119.803 120.200 -0.009 0.000 2.478 870 E HA 0.081 4.432 4.350 0.001 0.000 0.198 870 E C 1.412 178.003 176.600 -0.015 0.000 1.046 870 E CA 0.371 56.764 56.400 -0.011 0.000 0.870 870 E CB -0.054 29.640 29.700 -0.010 0.000 0.818 870 E HN 0.642 nan 8.360 nan 0.000 0.527 871 L N -0.640 120.573 121.223 -0.017 0.000 2.537 871 L HA 0.187 4.528 4.340 0.001 0.000 0.224 871 L C 0.187 177.042 176.870 -0.026 0.000 1.065 871 L CA -0.257 54.570 54.840 -0.022 0.000 0.860 871 L CB 0.130 42.176 42.059 -0.021 0.000 1.086 871 L HN 0.165 nan 8.230 nan 0.000 0.482 872 M N 0.858 120.445 119.600 -0.021 0.000 2.303 872 M HA 0.111 4.592 4.480 0.001 0.000 0.350 872 M C 1.397 177.682 176.300 -0.025 0.000 1.518 872 M CA 0.602 55.889 55.300 -0.022 0.000 1.070 872 M CB -0.969 31.622 32.600 -0.016 0.000 1.910 872 M HN 0.325 nan 8.290 nan 0.000 0.458 873 G N 3.305 112.087 108.800 -0.030 0.000 2.187 873 G HA2 -0.289 3.671 3.960 0.001 0.000 0.261 873 G HA3 -0.289 3.671 3.960 0.001 0.000 0.261 873 G C 0.991 175.869 174.900 -0.037 0.000 1.000 873 G CA 0.240 45.321 45.100 -0.032 0.000 0.718 873 G HN 0.667 nan 8.290 nan 0.000 0.519 874 K N 0.370 120.745 120.400 -0.041 0.000 2.487 874 K HA 0.096 4.416 4.320 0.001 0.000 0.192 874 K C 1.269 177.833 176.600 -0.061 0.000 1.027 874 K CA 0.464 56.727 56.287 -0.040 0.000 1.054 874 K CB 0.007 32.487 32.500 -0.033 0.000 0.824 874 K HN 0.655 nan 8.250 nan 0.000 0.510 875 K N 0.891 121.239 120.400 -0.087 0.000 3.257 875 K HA -0.164 4.157 4.320 0.001 0.000 0.270 875 K C -0.743 175.721 176.600 -0.227 0.000 0.984 875 K CA 0.317 56.517 56.287 -0.145 0.000 0.739 875 K CB -1.677 30.745 32.500 -0.129 0.000 1.351 875 K HN 0.150 nan 8.250 nan 0.000 0.463 876 L N 0.957 122.063 121.223 -0.194 0.000 2.313 876 L HA 0.330 4.671 4.340 0.001 0.000 0.273 876 L C -2.091 174.610 176.870 -0.283 0.000 1.028 876 L CA -2.097 52.616 54.840 -0.211 0.000 0.871 876 L CB 0.910 42.923 42.059 -0.076 0.000 1.242 876 L HN -0.068 nan 8.230 nan 0.000 0.434 877 P HA 0.059 nan 4.420 nan 0.000 0.273 877 P C -0.306 176.785 177.300 -0.349 0.000 1.250 877 P CA -0.360 62.462 63.100 -0.464 0.000 0.793 877 P CB 0.562 31.760 31.700 -0.836 0.000 1.011 878 N N 1.115 119.739 118.700 -0.127 0.000 2.843 878 N HA 0.172 4.913 4.740 0.001 0.000 0.284 878 N C -0.638 174.940 175.510 0.114 0.000 1.274 878 N CA 0.271 53.312 53.050 -0.015 0.000 1.045 878 N CB -0.723 37.788 38.487 0.040 0.000 1.370 878 N HN 0.361 nan 8.380 nan 0.000 0.525 879 F N -3.076 116.892 119.950 0.030 0.000 2.713 879 F HA 0.643 5.171 4.527 0.001 0.000 0.311 879 F C 0.689 176.471 175.800 -0.030 0.000 1.141 879 F CA -0.740 57.269 58.000 0.015 0.000 0.939 879 F CB 0.457 39.488 39.000 0.052 0.000 1.325 879 F HN 0.089 nan 8.300 nan 0.000 0.453 880 G N 1.152 110.075 108.800 0.206 0.000 2.581 880 G HA2 -0.251 3.709 3.960 0.001 0.000 0.291 880 G HA3 -0.251 3.709 3.960 0.001 0.000 0.291 880 G C -1.604 173.150 174.900 -0.245 0.000 1.277 880 G CA 0.103 45.163 45.100 -0.067 0.000 0.959 880 G HN 0.828 nan 8.290 nan 0.000 0.554 881 P HA -0.104 nan 4.420 nan 0.000 0.222 881 P C 1.285 178.315 177.300 -0.451 0.000 1.147 881 P CA 2.203 65.036 63.100 -0.446 0.000 0.790 881 P CB -0.146 31.236 31.700 -0.530 0.000 0.780 882 Y N -0.134 119.964 120.300 -0.336 0.000 2.242 882 Y HA -0.087 4.463 4.550 0.001 0.000 0.291 882 Y C 2.602 178.350 175.900 -0.253 0.000 1.137 882 Y CA 0.504 58.406 58.100 -0.330 0.000 1.181 882 Y CB -1.545 36.610 38.460 -0.509 0.000 0.989 882 Y HN -0.125 nan 8.280 nan 0.000 0.527 883 L N 0.703 121.865 121.223 -0.101 0.000 2.046 883 L HA -0.177 4.164 4.340 0.001 0.000 0.208 883 L C 1.978 178.804 176.870 -0.074 0.000 1.077 883 L CA 1.772 56.568 54.840 -0.074 0.000 0.747 883 L CB -0.699 41.333 42.059 -0.044 0.000 0.896 883 L HN 0.206 nan 8.230 nan 0.000 0.432 884 E N -0.935 119.206 120.200 -0.098 0.000 2.085 884 E HA -0.330 4.021 4.350 0.001 0.000 0.194 884 E C 2.124 178.677 176.600 -0.078 0.000 0.994 884 E CA 1.472 57.818 56.400 -0.090 0.000 0.801 884 E CB -0.154 29.482 29.700 -0.107 0.000 0.743 884 E HN 0.570 nan 8.360 nan 0.000 0.453 885 Q N 1.136 120.885 119.800 -0.085 0.000 2.061 885 Q HA -0.167 4.174 4.340 0.001 0.000 0.204 885 Q C 2.047 178.018 176.000 -0.047 0.000 0.984 885 Q CA 1.646 57.411 55.803 -0.064 0.000 0.846 885 Q CB 0.050 28.752 28.738 -0.060 0.000 0.902 885 Q HN 0.117 nan 8.270 nan 0.000 0.421 886 R N -0.015 120.457 120.500 -0.046 0.000 2.083 886 R HA -0.139 4.202 4.340 0.001 0.000 0.237 886 R C 2.364 178.642 176.300 -0.036 0.000 1.137 886 R CA 1.762 57.838 56.100 -0.039 0.000 0.951 886 R CB -0.252 30.023 30.300 -0.042 0.000 0.851 886 R HN 0.223 nan 8.270 nan 0.000 0.434 887 K N 0.715 121.090 120.400 -0.042 0.000 2.097 887 K HA -0.178 4.142 4.320 0.001 0.000 0.206 887 K C 2.137 178.715 176.600 -0.037 0.000 1.049 887 K CA 1.222 57.484 56.287 -0.042 0.000 0.933 887 K CB -0.094 32.374 32.500 -0.053 0.000 0.717 887 K HN 0.107 nan 8.250 nan 0.000 0.442 888 K N 1.394 121.771 120.400 -0.038 0.000 2.057 888 K HA -0.111 4.209 4.320 0.001 0.000 0.206 888 K C 2.034 178.620 176.600 -0.023 0.000 1.050 888 K CA 1.144 57.413 56.287 -0.030 0.000 0.935 888 K CB -0.031 32.449 32.500 -0.033 0.000 0.715 888 K HN 0.047 nan 8.250 nan 0.000 0.439 889 I N 1.031 121.587 120.570 -0.023 0.000 2.226 889 I HA -0.282 3.889 4.170 0.001 0.000 0.245 889 I C 2.251 178.361 176.117 -0.012 0.000 1.100 889 I CA 1.140 62.430 61.300 -0.017 0.000 1.374 889 I CB -0.186 37.802 38.000 -0.019 0.000 1.057 889 I HN 0.201 nan 8.210 nan 0.000 0.413 890 I N 0.743 121.305 120.570 -0.014 0.000 2.226 890 I HA -0.270 3.900 4.170 0.001 0.000 0.245 890 I C 2.822 178.935 176.117 -0.006 0.000 1.100 890 I CA 1.281 62.576 61.300 -0.008 0.000 1.374 890 I CB -0.477 37.516 38.000 -0.012 0.000 1.057 890 I HN 0.176 nan 8.210 nan 0.000 0.413 891 A N 0.572 123.384 122.820 -0.013 0.000 1.902 891 A HA -0.238 4.083 4.320 0.001 0.000 0.217 891 A C 2.191 179.775 177.584 -0.000 0.000 1.181 891 A CA 1.775 53.805 52.037 -0.011 0.000 0.623 891 A CB -0.598 18.392 19.000 -0.017 0.000 0.818 891 A HN 0.446 nan 8.150 nan 0.000 0.443 892 E N -0.890 119.310 120.200 -0.001 0.000 2.110 892 E HA -0.215 4.136 4.350 0.001 0.000 0.193 892 E C 2.038 178.644 176.600 0.010 0.000 0.988 892 E CA 1.217 57.619 56.400 0.004 0.000 0.804 892 E CB -0.079 29.621 29.700 -0.000 0.000 0.745 892 E HN 0.703 nan 8.360 nan 0.000 0.458 893 E N 1.339 121.544 120.200 0.010 0.000 2.077 893 E HA -0.189 4.162 4.350 0.001 0.000 0.193 893 E C 1.680 178.297 176.600 0.027 0.000 0.989 893 E CA 1.282 57.691 56.400 0.015 0.000 0.800 893 E CB 0.119 29.827 29.700 0.013 0.000 0.746 893 E HN -0.056 nan 8.360 nan 0.000 0.452 894 K N -0.125 120.293 120.400 0.030 0.000 2.097 894 K HA -0.074 4.247 4.320 0.001 0.000 0.206 894 K C 1.965 178.597 176.600 0.053 0.000 1.049 894 K CA 1.158 57.474 56.287 0.049 0.000 0.933 894 K CB -0.324 32.199 32.500 0.039 0.000 0.717 894 K HN 0.310 nan 8.250 nan 0.000 0.442 895 M N 0.142 119.764 119.600 0.037 0.000 2.229 895 M HA -0.069 4.412 4.480 0.001 0.000 0.264 895 M C 2.077 178.400 176.300 0.038 0.000 1.063 895 M CA 1.196 56.519 55.300 0.038 0.000 1.114 895 M CB -0.712 31.904 32.600 0.026 0.000 1.387 895 M HN 0.112 nan 8.290 nan 0.000 0.420 896 R N 0.295 120.815 120.500 0.033 0.000 2.073 896 R HA -0.011 4.329 4.340 0.001 0.000 0.229 896 R C 2.159 178.482 176.300 0.038 0.000 1.120 896 R CA 0.872 56.990 56.100 0.030 0.000 0.967 896 R CB -0.101 30.212 30.300 0.023 0.000 0.862 896 R HN 0.313 nan 8.270 nan 0.000 0.436 897 L N 0.564 121.814 121.223 0.046 0.000 2.191 897 L HA -0.151 4.190 4.340 0.001 0.000 0.212 897 L C 2.485 179.393 176.870 0.064 0.000 1.103 897 L CA 1.180 56.053 54.840 0.055 0.000 0.769 897 L CB -0.346 41.752 42.059 0.065 0.000 0.908 897 L HN 0.180 nan 8.230 nan 0.000 0.438 898 K N 0.553 120.993 120.400 0.067 0.000 2.283 898 K HA -0.142 4.179 4.320 0.001 0.000 0.202 898 K C 1.459 178.092 176.600 0.054 0.000 1.048 898 K CA 1.106 57.435 56.287 0.070 0.000 0.948 898 K CB 0.218 32.762 32.500 0.074 0.000 0.742 898 K HN 0.404 nan 8.250 nan 0.000 0.458 899 E N -0.361 119.866 120.200 0.045 0.000 2.476 899 E HA 0.017 4.367 4.350 0.001 0.000 0.199 899 E C 0.166 176.786 176.600 0.035 0.000 1.021 899 E CA -0.149 56.273 56.400 0.036 0.000 0.907 899 E CB 0.638 30.356 29.700 0.030 0.000 0.974 899 E HN 0.316 nan 8.360 nan 0.000 0.489 900 Q N 0.715 120.540 119.800 0.041 0.000 2.272 900 Q HA 0.163 4.504 4.340 0.001 0.000 0.192 900 Q C -0.009 176.022 176.000 0.052 0.000 1.059 900 Q CA -0.527 55.303 55.803 0.044 0.000 1.084 900 Q CB 0.496 29.262 28.738 0.046 0.000 1.139 900 Q HN -0.069 nan 8.270 nan 0.000 0.593 901 N N -0.672 118.069 118.700 0.069 0.000 2.487 901 N HA 0.503 5.243 4.740 0.001 0.000 0.292 901 N C -1.919 173.698 175.510 0.177 0.000 1.108 901 N CA -0.286 52.815 53.050 0.084 0.000 0.956 901 N CB 1.513 40.050 38.487 0.085 0.000 1.176 901 N HN 0.579 nan 8.380 nan 0.000 0.484 902 A N 1.925 124.842 122.820 0.162 0.000 3.044 902 A HA 0.586 4.906 4.320 0.001 0.000 0.289 902 A C -0.882 176.771 177.584 0.115 0.000 1.236 902 A CA -0.469 51.773 52.037 0.343 0.000 0.871 902 A CB -0.358 18.788 19.000 0.242 0.000 1.424 902 A HN 0.673 nan 8.150 nan 0.000 0.564 903 A N 1.249 123.838 122.820 -0.385 0.000 3.095 903 A HA 0.704 5.024 4.320 0.001 0.000 0.301 903 A C -0.732 176.318 177.584 -0.891 0.000 1.432 903 A CA -0.143 51.512 52.037 -0.637 0.000 1.140 903 A CB -0.953 17.602 19.000 -0.741 0.000 1.174 903 A HN 0.771 nan 8.150 nan 0.000 0.546 904 F N 0.428 120.446 119.950 0.115 0.000 2.646 904 F HA 0.308 4.836 4.527 0.001 0.000 0.336 904 F C -2.481 173.368 175.800 0.082 0.000 1.437 904 F CA -1.920 56.131 58.000 0.085 0.000 1.142 904 F CB 0.604 39.635 39.000 0.053 0.000 1.530 904 F HN 0.232 nan 8.300 nan 0.000 0.591 905 P HA 0.156 nan 4.420 nan 0.000 0.271 905 P C -2.124 175.275 177.300 0.166 0.000 1.244 905 P CA -0.621 62.566 63.100 0.146 0.000 0.793 905 P CB 0.169 31.924 31.700 0.093 0.000 0.984 906 P HA -0.030 nan 4.420 nan 0.000 0.275 906 P C -0.466 176.901 177.300 0.111 0.000 1.271 906 P CA 0.476 63.647 63.100 0.119 0.000 0.861 906 P CB 0.193 31.946 31.700 0.088 0.000 1.071 907 L N 0.207 121.484 121.223 0.090 0.000 2.556 907 L HA 0.195 4.536 4.340 0.001 0.000 0.245 907 L C 0.136 177.041 176.870 0.058 0.000 1.174 907 L CA -0.281 54.608 54.840 0.082 0.000 1.117 907 L CB -0.962 41.147 42.059 0.083 0.000 1.409 907 L HN 0.457 nan 8.230 nan 0.000 0.411 908 E N 1.621 121.853 120.200 0.054 0.000 1.619 908 E HA -0.269 4.082 4.350 0.001 0.000 0.373 908 E C 0.199 176.809 176.600 0.017 0.000 0.595 908 E CA 0.594 57.016 56.400 0.036 0.000 1.375 908 E CB 0.131 29.852 29.700 0.035 0.000 0.301 908 E HN 0.456 nan 8.360 nan 0.000 0.368 909 R N 3.277 123.779 120.500 0.003 0.000 2.351 909 R HA 0.097 4.437 4.340 0.001 0.000 0.318 909 R C -0.315 175.961 176.300 -0.041 0.000 1.055 909 R CA 0.277 56.360 56.100 -0.029 0.000 0.968 909 R CB 0.519 30.807 30.300 -0.020 0.000 0.974 909 R HN 0.353 nan 8.270 nan 0.000 0.439 910 K N 6.580 126.939 120.400 -0.069 0.000 2.578 910 K HA 0.369 4.689 4.320 0.001 0.000 0.250 910 K C -2.605 173.921 176.600 -0.123 0.000 0.955 910 K CA -2.154 54.100 56.287 -0.055 0.000 0.825 910 K CB 1.818 34.319 32.500 0.001 0.000 1.151 910 K HN 0.352 nan 8.250 nan 0.000 0.432 911 P HA -0.058 nan 4.420 nan 0.000 0.265 911 P C -0.787 176.503 177.300 -0.016 0.000 1.187 911 P CA 0.108 63.120 63.100 -0.146 0.000 0.766 911 P CB 0.186 31.852 31.700 -0.058 0.000 0.820 912 F N 2.468 122.401 119.950 -0.028 0.000 2.429 912 F HA 0.299 4.826 4.527 0.001 0.000 0.348 912 F C 1.026 176.808 175.800 -0.029 0.000 1.109 912 F CA -0.396 57.577 58.000 -0.045 0.000 1.232 912 F CB -0.126 38.825 39.000 -0.081 0.000 1.157 912 F HN 0.105 nan 8.300 nan 0.000 0.564 913 I N 4.079 124.741 120.570 0.152 0.000 2.474 913 I HA 0.297 4.467 4.170 0.001 0.000 0.294 913 I C -2.289 173.805 176.117 -0.039 0.000 1.005 913 I CA -2.239 59.092 61.300 0.053 0.000 1.113 913 I CB 2.061 40.083 38.000 0.036 0.000 1.289 913 I HN 0.308 nan 8.210 nan 0.000 0.436 914 P HA 0.026 nan 4.420 nan 0.000 0.262 914 P C -0.285 176.945 177.300 -0.116 0.000 1.182 914 P CA 0.138 63.129 63.100 -0.181 0.000 0.761 914 P CB 0.417 31.993 31.700 -0.206 0.000 0.795 915 K N 2.612 122.936 120.400 -0.127 0.000 2.372 915 K HA 0.096 4.417 4.320 0.001 0.000 0.200 915 K C 0.482 177.033 176.600 -0.083 0.000 1.022 915 K CA 0.129 56.360 56.287 -0.094 0.000 1.125 915 K CB 0.155 32.596 32.500 -0.099 0.000 0.855 915 K HN 0.500 nan 8.250 nan 0.000 0.524 916 K N -0.080 120.264 120.400 -0.092 0.000 2.607 916 K HA 0.313 4.634 4.320 0.001 0.000 0.287 916 K C -3.180 173.375 176.600 -0.076 0.000 0.996 916 K CA -1.594 54.649 56.287 -0.073 0.000 0.876 916 K CB 1.109 33.567 32.500 -0.070 0.000 1.496 916 K HN -0.299 nan 8.250 nan 0.000 0.415 917 P HA 0.034 nan 4.420 nan 0.000 0.266 917 P C -0.080 177.189 177.300 -0.052 0.000 1.195 917 P CA -0.195 62.878 63.100 -0.044 0.000 0.768 917 P CB 0.265 31.948 31.700 -0.027 0.000 0.838 918 I N 4.572 125.115 120.570 -0.044 0.000 2.517 918 I HA 0.081 4.252 4.170 0.001 0.000 0.285 918 I C -1.371 174.740 176.117 -0.011 0.000 1.106 918 I CA -1.902 59.376 61.300 -0.037 0.000 1.402 918 I CB -0.308 37.694 38.000 0.004 0.000 1.399 918 I HN 0.263 nan 8.210 nan 0.000 0.535 919 P HA 0.194 nan 4.420 nan 0.000 0.268 919 P C -0.478 176.829 177.300 0.013 0.000 1.205 919 P CA -0.297 62.806 63.100 0.005 0.000 0.771 919 P CB 1.096 32.805 31.700 0.014 0.000 0.858 920 A N 2.910 125.736 122.820 0.010 0.000 2.252 920 A HA 0.344 4.664 4.320 0.001 0.000 0.305 920 A C 1.700 179.285 177.584 0.002 0.000 1.097 920 A CA -0.692 51.351 52.037 0.010 0.000 0.849 920 A CB 0.056 19.061 19.000 0.009 0.000 1.142 920 A HN 0.453 nan 8.150 nan 0.000 0.499 921 I N 0.395 120.960 120.570 -0.008 0.000 2.208 921 I HA -0.272 3.899 4.170 0.001 0.000 0.245 921 I C 2.451 178.552 176.117 -0.027 0.000 1.097 921 I CA 2.307 63.588 61.300 -0.032 0.000 1.363 921 I CB -1.168 36.799 38.000 -0.055 0.000 1.051 921 I HN 0.948 nan 8.210 nan 0.000 0.413 922 K N 0.528 120.918 120.400 -0.017 0.000 2.211 922 K HA -0.184 4.137 4.320 0.001 0.000 0.204 922 K C 1.138 177.738 176.600 -0.001 0.000 1.047 922 K CA 1.627 57.906 56.287 -0.013 0.000 0.935 922 K CB -0.315 32.181 32.500 -0.007 0.000 0.728 922 K HN 0.281 nan 8.250 nan 0.000 0.452 923 D N 1.245 121.649 120.400 0.006 0.000 2.317 923 D HA -0.069 4.571 4.640 0.001 0.000 0.211 923 D C 1.899 178.223 176.300 0.040 0.000 0.966 923 D CA 1.233 55.243 54.000 0.016 0.000 0.876 923 D CB 0.561 41.369 40.800 0.014 0.000 0.927 923 D HN 0.353 nan 8.370 nan 0.000 0.519 924 V N -1.736 118.208 119.914 0.050 0.000 3.621 924 V HA 0.216 4.337 4.120 0.001 0.000 0.263 924 V C 1.050 177.237 176.094 0.155 0.000 1.272 924 V CA -0.261 62.116 62.300 0.129 0.000 1.080 924 V CB -0.166 31.705 31.823 0.080 0.000 0.816 924 V HN -0.103 nan 8.190 nan 0.000 0.451 925 I N 3.266 123.870 120.570 0.057 0.000 2.742 925 I HA 0.349 4.520 4.170 0.001 0.000 0.287 925 I C 1.627 177.777 176.117 0.054 0.000 1.186 925 I CA 1.564 62.888 61.300 0.040 0.000 1.417 925 I CB -0.030 37.964 38.000 -0.010 0.000 1.377 925 I HN 0.538 nan 8.210 nan 0.000 0.556 926 G N 5.125 113.967 108.800 0.070 0.000 2.184 926 G HA2 -0.285 3.676 3.960 0.001 0.000 0.264 926 G HA3 -0.285 3.676 3.960 0.001 0.000 0.264 926 G C 1.157 176.070 174.900 0.022 0.000 0.975 926 G CA -0.060 45.065 45.100 0.041 0.000 0.642 926 G HN 0.601 nan 8.290 nan 0.000 0.536 927 K N 0.259 120.688 120.400 0.048 0.000 2.280 927 K HA 0.173 4.493 4.320 0.001 0.000 0.202 927 K C 2.622 179.175 176.600 -0.077 0.000 1.047 927 K CA 1.423 57.691 56.287 -0.031 0.000 0.942 927 K CB -0.452 32.033 32.500 -0.025 0.000 0.739 927 K HN 0.788 nan 8.250 nan 0.000 0.457 928 A N 0.796 123.601 122.820 -0.024 0.000 2.123 928 A HA 0.044 4.364 4.320 0.001 0.000 0.214 928 A C 2.098 179.718 177.584 0.061 0.000 1.152 928 A CA 0.278 52.366 52.037 0.085 0.000 0.728 928 A CB -0.344 18.694 19.000 0.063 0.000 0.814 928 A HN 0.154 nan 8.150 nan 0.000 0.464 929 L N 0.255 121.466 121.223 -0.019 0.000 2.127 929 L HA -0.299 4.042 4.340 0.001 0.000 0.211 929 L C 2.847 179.656 176.870 -0.102 0.000 1.089 929 L CA 1.718 56.535 54.840 -0.037 0.000 0.757 929 L CB -0.777 41.263 42.059 -0.033 0.000 0.899 929 L HN 0.717 nan 8.230 nan 0.000 0.434 930 Q N -0.447 119.207 119.800 -0.243 0.000 2.291 930 Q HA -0.219 4.122 4.340 0.001 0.000 0.206 930 Q C 1.501 177.273 176.000 -0.381 0.000 0.976 930 Q CA 1.703 57.287 55.803 -0.364 0.000 0.875 930 Q CB -0.416 27.993 28.738 -0.548 0.000 0.927 930 Q HN 0.508 nan 8.270 nan 0.000 0.450 931 Y N 0.682 120.950 120.300 -0.053 0.000 2.500 931 Y HA 0.308 4.859 4.550 0.001 0.000 0.270 931 Y C 0.735 176.606 175.900 -0.048 0.000 1.134 931 Y CA -0.266 57.801 58.100 -0.054 0.000 1.293 931 Y CB 0.465 38.888 38.460 -0.062 0.000 1.063 931 Y HN -0.005 nan 8.280 nan 0.000 0.534 932 L N 0.072 121.338 121.223 0.071 0.000 2.350 932 L HA 0.628 4.968 4.340 0.001 0.000 0.275 932 L C 0.685 177.562 176.870 0.011 0.000 1.099 932 L CA -0.083 54.780 54.840 0.038 0.000 0.808 932 L CB 1.086 43.161 42.059 0.026 0.000 1.149 932 L HN 0.260 nan 8.230 nan 0.000 0.442 933 G N 0.518 109.326 108.800 0.013 0.000 2.494 933 G HA2 0.390 4.350 3.960 0.001 0.000 0.308 933 G HA3 0.390 4.350 3.960 0.001 0.000 0.308 933 G C -0.809 174.103 174.900 0.020 0.000 1.263 933 G CA -0.082 45.021 45.100 0.006 0.000 0.840 933 G HN 0.538 nan 8.290 nan 0.000 0.479 934 T N -1.904 112.664 114.554 0.023 0.000 2.788 934 T HA 0.416 4.767 4.350 0.001 0.000 0.280 934 T C 1.109 175.851 174.700 0.069 0.000 0.984 934 T CA 0.101 62.236 62.100 0.059 0.000 0.972 934 T CB 1.157 70.059 68.868 0.058 0.000 1.039 934 T HN 0.588 nan 8.240 nan 0.000 0.530 935 F N 1.194 121.144 119.950 -0.000 0.000 2.186 935 F HA 0.159 4.686 4.527 0.001 0.000 0.299 935 F C 2.411 178.211 175.800 0.001 0.000 1.090 935 F CA 1.817 59.817 58.000 -0.000 0.000 1.307 935 F CB -0.885 38.115 39.000 0.000 0.000 1.019 935 F HN 0.743 nan 8.300 nan 0.000 0.489 936 G N -0.379 108.489 108.800 0.114 0.000 2.470 936 G HA2 -0.235 3.725 3.960 0.001 0.000 0.220 936 G HA3 -0.235 3.725 3.960 0.001 0.000 0.220 936 G C 1.380 176.244 174.900 -0.059 0.000 1.121 936 G CA 0.783 45.908 45.100 0.041 0.000 0.766 936 G HN 0.488 nan 8.290 nan 0.000 0.553 937 E N -0.437 119.717 120.200 -0.076 0.000 2.481 937 E HA 0.144 4.495 4.350 0.001 0.000 0.195 937 E C 0.342 176.866 176.600 -0.127 0.000 1.047 937 E CA -0.280 56.073 56.400 -0.077 0.000 0.867 937 E CB 0.113 29.784 29.700 -0.048 0.000 0.858 937 E HN 0.362 nan 8.360 nan 0.000 0.513 938 L N 1.235 122.315 121.223 -0.239 0.000 2.326 938 L HA 0.168 4.508 4.340 0.001 0.000 0.278 938 L C 0.470 177.196 176.870 -0.241 0.000 1.092 938 L CA -0.552 54.118 54.840 -0.282 0.000 0.810 938 L CB 1.370 43.134 42.059 -0.492 0.000 1.153 938 L HN -0.090 nan 8.230 nan 0.000 0.439 939 S N 1.699 117.304 115.700 -0.158 0.000 2.505 939 S HA 0.090 4.561 4.470 0.001 0.000 0.276 939 S C 0.725 175.260 174.600 -0.108 0.000 1.274 939 S CA -0.728 57.408 58.200 -0.106 0.000 1.053 939 S CB 0.295 63.455 63.200 -0.068 0.000 0.919 939 S HN 0.740 nan 8.310 nan 0.000 0.490 940 N N 5.169 123.831 118.700 -0.064 0.000 2.235 940 N HA 0.119 4.860 4.740 0.001 0.000 0.209 940 N C 0.668 176.194 175.510 0.026 0.000 1.122 940 N CA 0.039 53.074 53.050 -0.026 0.000 0.845 940 N CB 0.072 38.584 38.487 0.042 0.000 1.004 940 N HN 0.514 nan 8.380 nan 0.000 0.499 941 I N 0.275 120.852 120.570 0.011 0.000 3.081 941 I HA 0.072 4.243 4.170 0.001 0.000 0.274 941 I C 0.223 176.346 176.117 0.011 0.000 1.178 941 I CA 0.378 61.699 61.300 0.036 0.000 1.460 941 I CB -0.664 37.349 38.000 0.021 0.000 1.137 941 I HN 0.216 nan 8.210 nan 0.000 0.443 942 E N 3.204 123.391 120.200 -0.023 0.000 1.852 942 E HA 0.092 4.442 4.350 0.001 0.000 0.276 942 E C -0.009 176.554 176.600 -0.061 0.000 1.163 942 E CA -0.173 56.206 56.400 -0.035 0.000 1.117 942 E CB 0.250 29.925 29.700 -0.041 0.000 1.124 942 E HN 0.296 nan 8.360 nan 0.000 0.458 943 Q N 0.810 120.572 119.800 -0.063 0.000 2.212 943 Q HA 0.452 4.793 4.340 0.001 0.000 0.238 943 Q C 0.228 176.177 176.000 -0.085 0.000 0.955 943 Q CA -0.557 55.175 55.803 -0.119 0.000 0.906 943 Q CB 2.059 30.692 28.738 -0.176 0.000 1.215 943 Q HN 0.310 nan 8.270 nan 0.000 0.478 944 V N -2.380 117.472 119.914 -0.103 0.000 3.141 944 V HA 0.906 5.027 4.120 0.001 0.000 0.312 944 V C -0.289 175.762 176.094 -0.071 0.000 1.157 944 V CA -0.980 61.278 62.300 -0.070 0.000 1.041 944 V CB 1.807 33.593 31.823 -0.062 0.000 1.071 944 V HN 0.588 nan 8.190 nan 0.000 0.441 945 V N -1.828 118.059 119.914 -0.044 0.000 3.078 945 V HA 1.020 5.141 4.120 0.001 0.000 0.311 945 V C 0.178 176.260 176.094 -0.020 0.000 1.138 945 V CA -0.496 61.784 62.300 -0.034 0.000 1.007 945 V CB 1.197 33.009 31.823 -0.019 0.000 1.045 945 V HN 1.934 nan 8.190 nan 0.000 0.432 946 A N 1.941 124.755 122.820 -0.010 0.000 2.340 946 A HA 0.812 5.133 4.320 0.001 0.000 0.268 946 A C -0.333 177.255 177.584 0.007 0.000 1.100 946 A CA -0.457 51.580 52.037 0.000 0.000 0.803 946 A CB 0.888 19.894 19.000 0.010 0.000 1.043 946 A HN 1.514 nan 8.150 nan 0.000 0.488 947 V N 3.454 123.372 119.914 0.007 0.000 2.623 947 V HA 0.339 4.459 4.120 0.001 0.000 0.304 947 V C -0.497 175.603 176.094 0.010 0.000 1.054 947 V CA -0.172 62.133 62.300 0.009 0.000 0.882 947 V CB 1.623 33.449 31.823 0.003 0.000 1.002 947 V HN 0.765 nan 8.190 nan 0.000 0.424 948 I N 3.318 123.896 120.570 0.014 0.000 2.359 948 I HA 0.363 4.534 4.170 0.001 0.000 0.294 948 I C -0.286 175.833 176.117 0.003 0.000 0.987 948 I CA -0.360 60.948 61.300 0.013 0.000 1.225 948 I CB 1.584 39.601 38.000 0.028 0.000 1.366 948 I HN 0.542 nan 8.210 nan 0.000 0.466 949 D N 5.644 126.040 120.400 -0.006 0.000 2.422 949 D HA 0.039 4.679 4.640 0.001 0.000 0.227 949 D C 0.969 177.254 176.300 -0.024 0.000 1.190 949 D CA 0.048 54.038 54.000 -0.018 0.000 0.905 949 D CB 0.920 41.704 40.800 -0.026 0.000 1.034 949 D HN 0.519 nan 8.370 nan 0.000 0.507 950 E N 2.198 122.385 120.200 -0.022 0.000 2.147 950 E HA -0.219 4.131 4.350 0.001 0.000 0.199 950 E C 1.163 177.739 176.600 -0.041 0.000 1.005 950 E CA 1.290 57.674 56.400 -0.028 0.000 0.810 950 E CB 0.355 30.033 29.700 -0.037 0.000 0.736 950 E HN 0.441 nan 8.360 nan 0.000 0.460 951 E N -0.700 119.472 120.200 -0.048 0.000 2.268 951 E HA -0.124 4.227 4.350 0.001 0.000 0.195 951 E C 1.689 178.238 176.600 -0.086 0.000 0.995 951 E CA 0.905 57.270 56.400 -0.058 0.000 0.836 951 E CB 0.001 29.672 29.700 -0.049 0.000 0.763 951 E HN 0.489 nan 8.360 nan 0.000 0.491 952 M N -0.597 118.941 119.600 -0.103 0.000 2.492 952 M HA 0.063 4.543 4.480 0.001 0.000 0.255 952 M C 1.084 177.317 176.300 -0.111 0.000 1.139 952 M CA -0.193 55.000 55.300 -0.178 0.000 1.096 952 M CB 0.649 33.129 32.600 -0.200 0.000 1.360 952 M HN -0.082 nan 8.290 nan 0.000 0.480 953 C N 2.850 122.123 119.300 -0.046 0.000 2.642 953 C HA 0.147 4.608 4.460 0.001 0.000 0.420 953 C C 1.600 176.611 174.990 0.036 0.000 1.349 953 C CA -0.393 58.629 59.018 0.007 0.000 1.821 953 C CB -0.491 27.270 27.740 0.036 0.000 2.637 953 C HN 0.633 nan 8.230 nan 0.000 0.605 954 I N 1.557 122.162 120.570 0.058 0.000 3.877 954 I HA 0.360 4.531 4.170 0.001 0.000 0.332 954 I C 0.438 176.637 176.117 0.137 0.000 1.525 954 I CA -0.326 61.026 61.300 0.087 0.000 1.146 954 I CB -0.953 37.081 38.000 0.056 0.000 1.137 954 I HN 0.827 nan 8.210 nan 0.000 0.424 955 N N 0.313 119.121 118.700 0.181 0.000 2.721 955 N HA -0.252 4.489 4.740 0.001 0.000 0.249 955 N C 1.115 176.774 175.510 0.248 0.000 1.072 955 N CA 1.083 54.303 53.050 0.283 0.000 0.710 955 N CB -2.219 36.489 38.487 0.369 0.000 0.993 955 N HN 0.872 nan 8.380 nan 0.000 0.547 956 C N -3.108 116.261 119.300 0.115 0.000 2.495 956 C HA 0.519 4.980 4.460 0.001 0.000 0.275 956 C C 2.178 177.080 174.990 -0.147 0.000 1.392 956 C CA 0.377 59.396 59.018 0.001 0.000 1.766 956 C CB -0.881 26.846 27.740 -0.020 0.000 1.933 956 C HN 1.003 nan 8.230 nan 0.000 0.519 957 G N 0.981 109.630 108.800 -0.253 0.000 2.148 957 G HA2 -0.300 3.661 3.960 0.001 0.000 0.254 957 G HA3 -0.300 3.661 3.960 0.001 0.000 0.254 957 G C 0.842 175.536 174.900 -0.344 0.000 0.981 957 G CA 0.743 45.392 45.100 -0.753 0.000 0.670 957 G HN 0.649 nan 8.290 nan 0.000 0.528 958 K N -0.361 119.935 120.400 -0.174 0.000 2.097 958 K HA -0.084 4.237 4.320 0.001 0.000 0.205 958 K C 2.952 179.502 176.600 -0.082 0.000 1.050 958 K CA 1.760 57.979 56.287 -0.112 0.000 0.938 958 K CB -0.460 31.997 32.500 -0.072 0.000 0.718 958 K HN 0.849 nan 8.250 nan 0.000 0.442 959 C N -0.340 118.927 119.300 -0.054 0.000 2.429 959 C HA -0.110 4.351 4.460 0.001 0.000 0.277 959 C C 2.536 177.531 174.990 0.009 0.000 1.262 959 C CA 0.179 59.191 59.018 -0.011 0.000 1.733 959 C CB -1.310 26.443 27.740 0.021 0.000 2.010 959 C HN 0.434 nan 8.230 nan 0.000 0.483 960 Y N 2.188 122.378 120.300 -0.183 0.000 2.145 960 Y HA -0.097 4.454 4.550 0.001 0.000 0.286 960 Y C 2.577 178.381 175.900 -0.160 0.000 1.145 960 Y CA 2.044 60.030 58.100 -0.189 0.000 1.148 960 Y CB -0.620 37.602 38.460 -0.397 0.000 0.981 960 Y HN 0.243 nan 8.280 nan 0.000 0.507 961 M N -1.318 118.141 119.600 -0.235 0.000 2.175 961 M HA -0.204 4.277 4.480 0.001 0.000 0.264 961 M C 2.307 178.486 176.300 -0.200 0.000 1.063 961 M CA 2.067 57.197 55.300 -0.283 0.000 1.119 961 M CB -0.592 31.895 32.600 -0.188 0.000 1.377 961 M HN 0.262 nan 8.290 nan 0.000 0.415 962 T N -0.692 113.785 114.554 -0.130 0.000 2.821 962 T HA -0.161 4.190 4.350 0.001 0.000 0.267 962 T C 1.837 176.485 174.700 -0.085 0.000 1.046 962 T CA 1.291 63.337 62.100 -0.091 0.000 1.139 962 T CB -0.239 68.597 68.868 -0.053 0.000 0.871 962 T HN 0.543 nan 8.240 nan 0.000 0.454 963 C N 1.622 120.877 119.300 -0.075 0.000 2.450 963 C HA 0.036 4.496 4.460 0.001 0.000 0.279 963 C C 2.571 177.499 174.990 -0.104 0.000 1.335 963 C CA 0.656 59.651 59.018 -0.039 0.000 1.749 963 C CB -1.493 26.261 27.740 0.022 0.000 1.963 963 C HN 0.542 nan 8.230 nan 0.000 0.501 964 N N 1.335 119.913 118.700 -0.203 0.000 2.109 964 N HA -0.054 4.686 4.740 0.001 0.000 0.188 964 N C 0.973 176.374 175.510 -0.182 0.000 1.034 964 N CA 1.586 54.493 53.050 -0.240 0.000 0.846 964 N CB -0.468 37.771 38.487 -0.414 0.000 1.010 964 N HN 0.542 nan 8.380 nan 0.000 0.425 965 D N -1.170 119.127 120.400 -0.171 0.000 2.369 965 D HA 0.196 4.837 4.640 0.001 0.000 0.211 965 D C 0.191 176.418 176.300 -0.123 0.000 1.077 965 D CA 0.313 54.231 54.000 -0.137 0.000 0.842 965 D CB 0.404 41.131 40.800 -0.123 0.000 0.947 965 D HN 0.011 nan 8.370 nan 0.000 0.509 966 S N -1.019 114.605 115.700 -0.125 0.000 2.911 966 S HA 0.407 4.878 4.470 0.001 0.000 0.261 966 S C 0.706 175.228 174.600 -0.131 0.000 1.021 966 S CA -0.228 57.905 58.200 -0.112 0.000 1.222 966 S CB 1.847 65.002 63.200 -0.075 0.000 1.171 966 S HN 0.301 nan 8.310 nan 0.000 0.669 967 G N 0.452 109.150 108.800 -0.170 0.000 3.366 967 G HA2 0.490 4.451 3.960 0.001 0.000 0.179 967 G HA3 0.490 4.451 3.960 0.001 0.000 0.179 967 G C -0.892 173.718 174.900 -0.483 0.000 1.143 967 G CA -0.290 44.695 45.100 -0.192 0.000 0.810 967 G HN 0.254 nan 8.290 nan 0.000 0.697 968 Y N 0.451 120.743 120.300 -0.013 0.000 2.706 968 Y HA 0.336 4.886 4.550 0.001 0.000 0.255 968 Y C 0.533 176.435 175.900 0.002 0.000 1.163 968 Y CA -0.617 57.484 58.100 0.001 0.000 1.174 968 Y CB 0.633 39.105 38.460 0.020 0.000 1.200 968 Y HN 0.300 nan 8.280 nan 0.000 0.544 969 Q N -0.102 119.732 119.800 0.056 0.000 2.435 969 Q HA -0.246 4.095 4.340 0.001 0.000 0.312 969 Q C 0.989 177.049 176.000 0.101 0.000 1.333 969 Q CA 0.899 56.724 55.803 0.037 0.000 0.883 969 Q CB -1.683 27.063 28.738 0.014 0.000 1.170 969 Q HN 0.578 nan 8.270 nan 0.000 0.443 970 A N -0.794 122.102 122.820 0.127 0.000 2.308 970 A HA 0.394 4.714 4.320 0.001 0.000 0.217 970 A C 0.480 178.143 177.584 0.131 0.000 1.216 970 A CA -0.061 52.051 52.037 0.125 0.000 0.864 970 A CB 0.540 19.611 19.000 0.118 0.000 0.902 970 A HN 0.414 nan 8.150 nan 0.000 0.499 971 I N 0.647 121.321 120.570 0.174 0.000 2.377 971 I HA 0.214 4.385 4.170 0.001 0.000 0.293 971 I C -0.438 175.855 176.117 0.294 0.000 0.987 971 I CA -0.446 60.985 61.300 0.218 0.000 1.185 971 I CB 1.826 39.974 38.000 0.247 0.000 1.341 971 I HN 0.224 nan 8.210 nan 0.000 0.455 972 Q N 5.026 124.940 119.800 0.190 0.000 2.257 972 Q HA 0.391 4.732 4.340 0.001 0.000 0.255 972 Q C -1.277 174.771 176.000 0.081 0.000 0.920 972 Q CA -0.504 55.383 55.803 0.141 0.000 0.927 972 Q CB 2.312 31.104 28.738 0.089 0.000 1.229 972 Q HN 0.412 nan 8.270 nan 0.000 0.433 973 F N 2.550 122.296 119.950 -0.339 0.000 2.382 973 F HA 0.204 4.732 4.527 0.001 0.000 0.361 973 F C -0.363 175.313 175.800 -0.207 0.000 1.109 973 F CA -1.522 56.203 58.000 -0.459 0.000 1.031 973 F CB 0.890 39.173 39.000 -1.196 0.000 1.234 973 F HN 0.494 nan 8.300 nan 0.000 0.445 974 D N 8.042 128.243 120.400 -0.331 0.000 2.487 974 D HA 0.086 4.727 4.640 0.001 0.000 0.243 974 D C -1.445 174.738 176.300 -0.196 0.000 1.154 974 D CA -0.912 52.959 54.000 -0.214 0.000 0.876 974 D CB 1.217 41.917 40.800 -0.166 0.000 1.161 974 D HN 0.297 nan 8.370 nan 0.000 0.478 975 P HA -0.116 nan 4.420 nan 0.000 0.226 975 P C 0.312 177.710 177.300 0.164 0.000 1.153 975 P CA 0.914 64.076 63.100 0.104 0.000 0.777 975 P CB 0.501 32.260 31.700 0.098 0.000 0.794 976 E N -0.496 119.761 120.200 0.096 0.000 2.175 976 E HA -0.001 4.350 4.350 0.001 0.000 0.195 976 E C 1.967 178.705 176.600 0.230 0.000 0.934 976 E CA 1.585 58.091 56.400 0.176 0.000 0.870 976 E CB -0.887 28.899 29.700 0.144 0.000 0.838 976 E HN 0.339 nan 8.360 nan 0.000 0.474 977 T N -2.809 111.731 114.554 -0.022 0.000 3.057 977 T HA 0.039 4.390 4.350 0.001 0.000 0.254 977 T C 0.480 175.228 174.700 0.080 0.000 1.094 977 T CA 0.236 62.195 62.100 -0.234 0.000 1.088 977 T CB -0.355 68.221 68.868 -0.487 0.000 0.934 977 T HN 0.292 nan 8.240 nan 0.000 0.497 978 H N 0.519 119.481 119.070 -0.181 0.000 2.791 978 H HA -0.094 4.463 4.556 0.001 0.000 0.302 978 H C -0.847 174.217 175.328 -0.441 0.000 1.198 978 H CA -0.166 55.506 56.048 -0.627 0.000 1.145 978 H CB -1.761 27.942 29.762 -0.097 0.000 1.385 978 H HN 0.428 nan 8.280 nan 0.000 0.409 979 L N 2.000 123.072 121.223 -0.250 0.000 2.307 979 L HA 0.446 4.786 4.340 0.001 0.000 0.284 979 L C -1.966 174.902 176.870 -0.003 0.000 1.023 979 L CA -1.758 53.045 54.840 -0.061 0.000 0.810 979 L CB 1.521 43.527 42.059 -0.089 0.000 1.231 979 L HN -0.032 nan 8.230 nan 0.000 0.423 980 P HA 0.316 nan 4.420 nan 0.000 0.287 980 P C -1.110 176.250 177.300 0.099 0.000 1.270 980 P CA -0.454 62.770 63.100 0.206 0.000 0.844 980 P CB 1.942 33.792 31.700 0.249 0.000 1.068 981 T N 1.052 115.661 114.554 0.093 0.000 2.937 981 T HA 0.246 4.597 4.350 0.001 0.000 0.297 981 T C -0.226 174.520 174.700 0.077 0.000 0.991 981 T CA -0.400 61.738 62.100 0.063 0.000 0.990 981 T CB 0.973 69.866 68.868 0.042 0.000 0.991 981 T HN 0.073 nan 8.240 nan 0.000 0.440 982 V N 4.719 124.671 119.914 0.063 0.000 2.508 982 V HA 0.368 4.488 4.120 0.001 0.000 0.281 982 V C 1.260 177.386 176.094 0.054 0.000 1.041 982 V CA -0.330 62.008 62.300 0.063 0.000 1.016 982 V CB 0.781 32.632 31.823 0.046 0.000 0.984 982 V HN 1.090 nan 8.190 nan 0.000 0.478 983 T N 0.376 114.968 114.554 0.062 0.000 2.880 983 T HA 0.217 4.568 4.350 0.001 0.000 0.279 983 T C 0.853 175.578 174.700 0.043 0.000 0.990 983 T CA -0.468 61.663 62.100 0.053 0.000 0.938 983 T CB 0.989 69.895 68.868 0.063 0.000 1.206 983 T HN 0.516 nan 8.240 nan 0.000 0.573 984 D N 0.147 120.570 120.400 0.038 0.000 2.350 984 D HA -0.054 4.586 4.640 0.001 0.000 0.216 984 D C 1.954 178.275 176.300 0.035 0.000 0.968 984 D CA 1.293 55.312 54.000 0.032 0.000 0.894 984 D CB -0.433 40.385 40.800 0.029 0.000 0.909 984 D HN 0.782 nan 8.370 nan 0.000 0.520 985 T N -2.306 112.275 114.554 0.045 0.000 3.148 985 T HA 0.007 4.358 4.350 0.001 0.000 0.253 985 T C 1.344 176.059 174.700 0.025 0.000 1.134 985 T CA -0.419 61.710 62.100 0.049 0.000 1.051 985 T CB -0.999 67.916 68.868 0.078 0.000 0.959 985 T HN 0.138 nan 8.240 nan 0.000 0.525 986 C N 3.968 123.277 119.300 0.014 0.000 2.611 986 C HA 0.369 4.830 4.460 0.001 0.000 0.416 986 C C 2.112 177.037 174.990 -0.109 0.000 1.366 986 C CA 0.607 59.609 59.018 -0.026 0.000 1.761 986 C CB -0.087 27.650 27.740 -0.005 0.000 2.619 986 C HN 0.710 nan 8.230 nan 0.000 0.606 987 T N 1.148 115.553 114.554 -0.249 0.000 3.044 987 T HA 0.325 4.676 4.350 0.001 0.000 0.260 987 T C 1.253 175.786 174.700 -0.279 0.000 1.019 987 T CA 0.901 62.794 62.100 -0.345 0.000 0.921 987 T CB -0.053 68.382 68.868 -0.721 0.000 1.053 987 T HN 2.205 nan 8.240 nan 0.000 0.533 988 G N 1.241 109.940 108.800 -0.169 0.000 2.160 988 G HA2 -0.377 3.584 3.960 0.001 0.000 0.251 988 G HA3 -0.377 3.584 3.960 0.001 0.000 0.251 988 G C 1.320 176.165 174.900 -0.092 0.000 1.008 988 G CA 0.468 45.497 45.100 -0.118 0.000 0.724 988 G HN 1.251 nan 8.290 nan 0.000 0.514 989 C N -1.961 117.297 119.300 -0.069 0.000 2.410 989 C HA 0.208 4.669 4.460 0.001 0.000 0.281 989 C C 2.294 177.288 174.990 0.008 0.000 1.318 989 C CA 1.609 60.627 59.018 0.001 0.000 1.776 989 C CB -1.176 26.634 27.740 0.116 0.000 1.942 989 C HN 1.678 nan 8.230 nan 0.000 0.508 990 T N -0.358 114.198 114.554 0.004 0.000 5.686 990 T HA -0.213 4.138 4.350 0.001 0.000 0.270 990 T C 0.563 175.270 174.700 0.011 0.000 2.203 990 T CA 1.017 63.118 62.100 0.002 0.000 3.730 990 T CB -1.963 66.900 68.868 -0.009 0.000 0.770 990 T HN 0.701 nan 8.240 nan 0.000 1.144 991 L N 0.832 122.069 121.223 0.023 0.000 2.083 991 L HA -0.164 4.177 4.340 0.001 0.000 0.209 991 L C 3.089 179.964 176.870 0.007 0.000 1.083 991 L CA 2.285 57.135 54.840 0.015 0.000 0.752 991 L CB -0.502 41.569 42.059 0.020 0.000 0.899 991 L HN 0.864 nan 8.230 nan 0.000 0.433 992 C N -1.199 118.109 119.300 0.014 0.000 2.432 992 C HA -0.202 4.259 4.460 0.001 0.000 0.277 992 C C 2.573 177.566 174.990 0.006 0.000 1.249 992 C CA 0.499 59.523 59.018 0.010 0.000 1.725 992 C CB -1.286 26.468 27.740 0.023 0.000 2.028 992 C HN 0.570 nan 8.230 nan 0.000 0.477 993 L N 1.721 122.948 121.223 0.007 0.000 2.083 993 L HA -0.114 4.226 4.340 0.001 0.000 0.209 993 L C 2.641 179.512 176.870 0.002 0.000 1.083 993 L CA 2.103 56.946 54.840 0.004 0.000 0.752 993 L CB -0.436 41.624 42.059 0.002 0.000 0.899 993 L HN 0.422 nan 8.230 nan 0.000 0.433 994 S N -0.763 114.937 115.700 0.000 0.000 2.447 994 S HA -0.110 4.361 4.470 0.001 0.000 0.233 994 S C 1.580 176.177 174.600 -0.005 0.000 1.006 994 S CA 1.286 59.485 58.200 -0.002 0.000 0.957 994 S CB -0.111 63.088 63.200 -0.002 0.000 0.773 994 S HN 0.598 nan 8.310 nan 0.000 0.507 995 V N -1.937 117.972 119.914 -0.008 0.000 3.643 995 V HA 0.352 4.472 4.120 0.001 0.000 0.280 995 V C 0.842 176.928 176.094 -0.013 0.000 1.351 995 V CA -0.734 61.557 62.300 -0.015 0.000 1.073 995 V CB -0.943 30.866 31.823 -0.024 0.000 0.863 995 V HN 0.447 nan 8.190 nan 0.000 0.436 996 C N 4.636 123.932 119.300 -0.007 0.000 2.648 996 C HA 0.387 4.848 4.460 0.001 0.000 0.419 996 C C 0.458 175.448 174.990 0.000 0.000 1.352 996 C CA -0.374 58.643 59.018 -0.003 0.000 1.816 996 C CB 0.734 28.476 27.740 0.003 0.000 2.598 996 C HN 0.590 nan 8.230 nan 0.000 0.598 997 P HA 0.037 nan 4.420 nan 0.000 0.229 997 P C 0.152 177.461 177.300 0.015 0.000 1.160 997 P CA 0.982 64.084 63.100 0.004 0.000 0.777 997 P CB -0.024 31.677 31.700 0.002 0.000 0.814 998 I N 1.650 122.230 120.570 0.016 0.000 2.312 998 I HA 0.221 4.391 4.170 0.001 0.000 0.290 998 I C 1.000 177.137 176.117 0.032 0.000 1.008 998 I CA -1.846 59.470 61.300 0.027 0.000 1.226 998 I CB 0.709 38.706 38.000 -0.005 0.000 1.371 998 I HN -0.171 nan 8.210 nan 0.000 0.468 999 I N 6.582 127.186 120.570 0.057 0.000 2.741 999 I HA -0.075 4.096 4.170 0.001 0.000 0.288 999 I C 0.654 176.802 176.117 0.052 0.000 1.192 999 I CA 0.622 61.953 61.300 0.052 0.000 1.426 999 I CB -0.005 38.030 38.000 0.059 0.000 1.367 999 I HN 0.597 nan 8.210 nan 0.000 0.563 1000 D N 2.833 123.252 120.400 0.031 0.000 3.076 1000 D HA -0.227 4.414 4.640 0.001 0.000 0.218 1000 D C 1.106 177.411 176.300 0.008 0.000 1.156 1000 D CA 0.988 55.002 54.000 0.022 0.000 0.921 1000 D CB -1.361 39.458 40.800 0.032 0.000 1.113 1000 D HN 0.825 nan 8.370 nan 0.000 0.418 1001 C N 0.131 119.430 119.300 -0.001 0.000 2.457 1001 C HA 0.113 4.574 4.460 0.001 0.000 0.278 1001 C C 1.193 176.179 174.990 -0.005 0.000 1.309 1001 C CA 0.179 59.186 59.018 -0.018 0.000 1.735 1001 C CB -0.424 27.303 27.740 -0.022 0.000 1.992 1001 C HN 0.335 nan 8.230 nan 0.000 0.493 1002 I N 1.279 121.850 120.570 0.002 0.000 2.412 1002 I HA 0.468 4.639 4.170 0.001 0.000 0.296 1002 I C -0.149 175.970 176.117 0.003 0.000 0.987 1002 I CA -0.244 61.060 61.300 0.005 0.000 1.180 1002 I CB 1.146 39.151 38.000 0.009 0.000 1.340 1002 I HN 0.207 nan 8.210 nan 0.000 0.455 1003 R N 5.457 125.958 120.500 0.001 0.000 2.725 1003 R HA 0.607 4.948 4.340 0.001 0.000 0.277 1003 R C -1.258 175.039 176.300 -0.006 0.000 0.987 1003 R CA -1.064 55.035 56.100 -0.002 0.000 0.901 1003 R CB 2.277 32.576 30.300 -0.001 0.000 1.207 1003 R HN 0.393 nan 8.270 nan 0.000 0.463 1004 M N 2.992 122.585 119.600 -0.012 0.000 2.157 1004 M HA 0.299 4.780 4.480 0.001 0.000 0.354 1004 M C -0.198 176.090 176.300 -0.020 0.000 1.170 1004 M CA -0.734 54.555 55.300 -0.019 0.000 1.060 1004 M CB 0.964 33.547 32.600 -0.027 0.000 1.615 1004 M HN 0.475 nan 8.290 nan 0.000 0.460 1005 V N 0.292 120.194 119.914 -0.019 0.000 2.960 1005 V HA 0.680 4.801 4.120 0.001 0.000 0.315 1005 V C 0.271 176.353 176.094 -0.021 0.000 1.087 1005 V CA -0.944 61.346 62.300 -0.017 0.000 0.982 1005 V CB 1.697 33.514 31.823 -0.010 0.000 1.039 1005 V HN 0.782 nan 8.190 nan 0.000 0.437 1006 S N 2.052 117.740 115.700 -0.019 0.000 2.563 1006 S HA 0.164 4.635 4.470 0.001 0.000 0.294 1006 S C 0.370 174.962 174.600 -0.014 0.000 1.279 1006 S CA -0.022 58.166 58.200 -0.019 0.000 1.069 1006 S CB -0.169 63.022 63.200 -0.015 0.000 0.828 1006 S HN 0.817 nan 8.310 nan 0.000 0.497 1007 R N 1.300 121.792 120.500 -0.014 0.000 2.543 1007 R HA 0.065 4.406 4.340 0.001 0.000 0.277 1007 R C 1.599 177.902 176.300 0.005 0.000 1.074 1007 R CA 0.420 56.518 56.100 -0.003 0.000 1.076 1007 R CB 0.382 30.684 30.300 0.003 0.000 0.993 1007 R HN 0.873 nan 8.270 nan 0.000 0.459 1008 T N -1.036 113.523 114.554 0.009 0.000 3.035 1008 T HA 0.042 4.392 4.350 0.001 0.000 0.259 1008 T C 0.575 175.283 174.700 0.014 0.000 1.078 1008 T CA 0.456 62.561 62.100 0.009 0.000 1.132 1008 T CB 0.286 69.158 68.868 0.007 0.000 0.900 1008 T HN 0.464 nan 8.240 nan 0.000 0.480 1009 T N 3.484 118.051 114.554 0.021 0.000 2.823 1009 T HA 0.532 4.883 4.350 0.001 0.000 0.279 1009 T C -2.854 171.869 174.700 0.039 0.000 0.998 1009 T CA -1.357 60.757 62.100 0.024 0.000 0.994 1009 T CB 1.581 70.461 68.868 0.020 0.000 0.960 1009 T HN -0.008 nan 8.240 nan 0.000 0.448 1010 P HA -0.056 nan 4.420 nan 0.000 0.259 1010 P C -0.895 176.443 177.300 0.063 0.000 1.163 1010 P CA -0.042 63.084 63.100 0.043 0.000 0.760 1010 P CB 0.033 31.740 31.700 0.012 0.000 0.762 1011 Y N 3.913 124.201 120.300 -0.020 0.000 2.442 1011 Y HA 0.144 4.695 4.550 0.001 0.000 0.330 1011 Y C 0.163 176.052 175.900 -0.019 0.000 1.129 1011 Y CA 0.115 58.200 58.100 -0.026 0.000 1.365 1011 Y CB 0.491 38.931 38.460 -0.033 0.000 1.233 1011 Y HN 0.316 nan 8.280 nan 0.000 0.529 1012 E N 8.428 128.231 120.200 -0.662 0.000 2.186 1012 E HA 0.276 4.626 4.350 0.001 0.000 0.255 1012 E C -2.580 173.544 176.600 -0.794 0.000 0.881 1012 E CA -2.032 53.986 56.400 -0.636 0.000 0.752 1012 E CB 1.211 30.756 29.700 -0.259 0.000 1.176 1012 E HN 0.603 nan 8.360 nan 0.000 0.421 1013 P HA -0.004 nan 4.420 nan 0.000 0.265 1013 P C -0.270 176.962 177.300 -0.114 0.000 1.193 1013 P CA 0.102 62.992 63.100 -0.350 0.000 0.765 1013 P CB 0.614 32.237 31.700 -0.128 0.000 0.823 1014 K N 3.612 124.026 120.400 0.025 0.000 2.310 1014 K HA 0.104 4.425 4.320 0.001 0.000 0.290 1014 K C 0.892 177.526 176.600 0.056 0.000 1.077 1014 K CA -0.328 55.989 56.287 0.051 0.000 0.922 1014 K CB 0.386 32.962 32.500 0.127 0.000 1.057 1014 K HN 0.226 nan 8.250 nan 0.000 0.479 1015 R N 2.303 122.817 120.500 0.023 0.000 2.300 1015 R HA 0.081 4.421 4.340 0.001 0.000 0.199 1015 R C 1.352 177.667 176.300 0.024 0.000 0.920 1015 R CA 0.714 56.828 56.100 0.023 0.000 1.046 1015 R CB 0.167 30.470 30.300 0.005 0.000 0.984 1015 R HN 1.054 nan 8.270 nan 0.000 0.493 1016 G N 1.136 109.953 108.800 0.027 0.000 2.674 1016 G HA2 -0.308 3.653 3.960 0.001 0.000 0.236 1016 G HA3 -0.308 3.653 3.960 0.001 0.000 0.236 1016 G C 0.197 175.104 174.900 0.013 0.000 1.178 1016 G CA 0.455 45.568 45.100 0.022 0.000 0.721 1016 G HN 0.305 nan 8.290 nan 0.000 0.515 1017 L N 0.568 121.796 121.223 0.009 0.000 2.549 1017 L HA 0.396 4.737 4.340 0.001 0.000 0.259 1017 L C -2.152 174.719 176.870 0.002 0.000 0.934 1017 L CA -1.735 53.108 54.840 0.005 0.000 0.865 1017 L CB 2.149 44.211 42.059 0.004 0.000 1.352 1017 L HN 0.051 nan 8.230 nan 0.000 0.410 1018 P HA -0.073 nan 4.420 nan 0.000 0.270 1018 P C -1.042 176.257 177.300 -0.002 0.000 1.181 1018 P CA -0.025 63.073 63.100 -0.003 0.000 0.767 1018 P CB 0.380 32.078 31.700 -0.003 0.000 0.799 1019 L N 1.793 123.014 121.223 -0.003 0.000 2.296 1019 L HA 0.666 5.006 4.340 0.001 0.000 0.286 1019 L C -0.169 176.700 176.870 -0.002 0.000 1.023 1019 L CA -0.141 54.698 54.840 -0.002 0.000 0.812 1019 L CB 0.989 43.047 42.059 -0.002 0.000 1.223 1019 L HN 0.555 nan 8.230 nan 0.000 0.421 1020 A N 0.000 122.820 122.820 -0.001 0.000 2.254 1020 A HA 0.000 4.321 4.320 0.001 0.000 0.244 1020 A CA 0.000 52.036 52.037 -0.001 0.000 0.836 1020 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 1020 A HN 0.000 nan 8.150 nan 0.000 0.486