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_A 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 EPKRGL 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 0.001 0.000 1.274 2 A CA 0.000 52.037 52.037 0.001 0.000 0.836 2 A CB 0.000 19.000 19.000 0.000 0.000 0.831 3 P HA 0.345 nan 4.420 nan 0.000 0.273 3 P C -0.482 176.818 177.300 0.001 0.000 1.252 3 P CA -0.511 62.590 63.100 0.002 0.000 0.809 3 P CB 0.182 31.884 31.700 0.003 0.000 1.017 4 V N 1.703 121.618 119.914 0.001 0.000 2.381 4 V HA -0.018 4.102 4.120 -0.000 0.000 0.257 4 V C 1.689 177.783 176.094 -0.001 0.000 1.057 4 V CA 0.272 62.572 62.300 -0.000 0.000 1.013 4 V CB -0.487 31.335 31.823 -0.000 0.000 1.069 4 V HN 0.483 nan 8.190 nan 0.000 0.484 5 L N 3.724 124.946 121.223 -0.002 0.000 2.083 5 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 5 L C 2.254 179.121 176.870 -0.005 0.000 1.083 5 L CA 1.711 56.550 54.840 -0.002 0.000 0.752 5 L CB -0.362 41.696 42.059 -0.003 0.000 0.899 5 L HN 0.840 nan 8.230 nan 0.000 0.433 6 S N -1.495 114.201 115.700 -0.007 0.000 2.803 6 S HA 0.128 4.598 4.470 -0.000 0.000 0.228 6 S C 0.411 175.004 174.600 -0.011 0.000 0.953 6 S CA -0.227 57.966 58.200 -0.011 0.000 0.983 6 S CB -0.234 62.959 63.200 -0.013 0.000 0.784 6 S HN 0.255 nan 8.310 nan 0.000 0.498 7 K N 1.289 121.685 120.400 -0.006 0.000 2.316 7 K HA 0.352 4.672 4.320 -0.000 0.000 0.251 7 K C -1.336 175.264 176.600 -0.002 0.000 0.934 7 K CA -0.757 55.528 56.287 -0.004 0.000 0.802 7 K CB 1.187 33.687 32.500 -0.001 0.000 1.171 7 K HN 0.169 nan 8.250 nan 0.000 0.426 8 D N 2.496 122.896 120.400 -0.001 0.000 2.351 8 D HA 0.061 4.701 4.640 -0.000 0.000 0.251 8 D C 0.454 176.760 176.300 0.011 0.000 1.137 8 D CA -0.125 53.878 54.000 0.005 0.000 0.879 8 D CB 1.287 42.090 40.800 0.005 0.000 1.181 8 D HN 0.243 nan 8.370 nan 0.000 0.448 9 V N 0.012 119.935 119.914 0.014 0.000 3.319 9 V HA 0.317 4.437 4.120 -0.000 0.000 0.303 9 V C 1.608 177.715 176.094 0.021 0.000 1.094 9 V CA -0.095 62.215 62.300 0.016 0.000 1.106 9 V CB 0.580 32.413 31.823 0.017 0.000 1.099 9 V HN 0.620 nan 8.190 nan 0.000 0.476 10 A N 0.724 123.556 122.820 0.022 0.000 1.884 10 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 10 A C 1.602 179.206 177.584 0.033 0.000 1.197 10 A CA 2.593 54.645 52.037 0.026 0.000 0.637 10 A CB -1.304 17.710 19.000 0.023 0.000 0.827 10 A HN 1.061 nan 8.150 nan 0.000 0.450 11 D N -0.131 120.289 120.400 0.033 0.000 2.123 11 D HA -0.155 4.485 4.640 -0.000 0.000 0.196 11 D C 1.716 178.046 176.300 0.051 0.000 0.992 11 D CA 1.385 55.410 54.000 0.041 0.000 0.833 11 D CB -0.222 40.601 40.800 0.038 0.000 0.954 11 D HN 0.405 nan 8.370 nan 0.000 0.455 12 I N 0.581 121.178 120.570 0.045 0.000 2.353 12 I HA -0.114 4.056 4.170 -0.000 0.000 0.248 12 I C 2.272 178.419 176.117 0.050 0.000 1.119 12 I CA 0.889 62.218 61.300 0.048 0.000 1.417 12 I CB -0.994 37.026 38.000 0.033 0.000 1.078 12 I HN 0.101 nan 8.210 nan 0.000 0.421 13 E N 0.576 120.800 120.200 0.041 0.000 2.118 13 E HA -0.234 4.115 4.350 -0.000 0.000 0.195 13 E C 2.401 179.038 176.600 0.061 0.000 0.992 13 E CA 1.642 58.067 56.400 0.042 0.000 0.804 13 E CB 0.117 29.837 29.700 0.033 0.000 0.741 13 E HN 0.300 nan 8.360 nan 0.000 0.458 14 S N 0.085 115.824 115.700 0.065 0.000 2.368 14 S HA -0.102 4.368 4.470 -0.000 0.000 0.224 14 S C 1.993 176.660 174.600 0.112 0.000 1.029 14 S CA 0.820 59.067 58.200 0.078 0.000 0.988 14 S CB -0.205 63.033 63.200 0.064 0.000 0.838 14 S HN 0.400 nan 8.310 nan 0.000 0.462 15 I N 0.872 121.514 120.570 0.120 0.000 2.454 15 I HA -0.042 4.128 4.170 -0.000 0.000 0.254 15 I C 1.287 177.564 176.117 0.267 0.000 1.156 15 I CA 1.031 62.440 61.300 0.181 0.000 1.433 15 I CB 0.039 38.136 38.000 0.161 0.000 1.082 15 I HN 0.326 nan 8.210 nan 0.000 0.432 16 L N 0.185 121.509 121.223 0.168 0.000 2.591 16 L HA 0.090 4.430 4.340 -0.000 0.000 0.228 16 L C 2.479 179.457 176.870 0.180 0.000 1.133 16 L CA 0.303 55.222 54.840 0.132 0.000 0.880 16 L CB -0.523 41.553 42.059 0.028 0.000 1.033 16 L HN 0.215 nan 8.230 nan 0.000 0.450 17 A N 0.553 123.492 122.820 0.198 0.000 1.915 17 A HA -0.231 4.089 4.320 -0.000 0.000 0.220 17 A C 1.838 179.541 177.584 0.198 0.000 1.198 17 A CA 1.856 53.993 52.037 0.167 0.000 0.647 17 A CB -0.420 18.666 19.000 0.144 0.000 0.825 17 A HN 0.351 nan 8.150 nan 0.000 0.456 18 L N -0.273 121.136 121.223 0.311 0.000 2.611 18 L HA 0.216 4.556 4.340 -0.000 0.000 0.229 18 L C 0.573 177.663 176.870 0.365 0.000 1.137 18 L CA -0.098 54.937 54.840 0.325 0.000 0.901 18 L CB -1.127 41.142 42.059 0.350 0.000 1.098 18 L HN 0.355 nan 8.230 nan 0.000 0.456 19 N N 0.764 119.619 118.700 0.259 0.000 2.492 19 N HA 0.100 4.840 4.740 -0.000 0.000 0.262 19 N C -2.394 173.127 175.510 0.017 0.000 1.202 19 N CA -1.252 51.810 53.050 0.020 0.000 0.926 19 N CB 0.612 39.013 38.487 -0.144 0.000 1.078 19 N HN -0.109 nan 8.380 nan 0.000 0.454 20 P HA 0.079 nan 4.420 nan 0.000 0.262 20 P C -0.887 176.400 177.300 -0.021 0.000 1.182 20 P CA 0.623 63.711 63.100 -0.019 0.000 0.761 20 P CB 0.454 32.127 31.700 -0.046 0.000 0.795 21 R N 1.011 121.509 120.500 -0.004 0.000 2.604 21 R HA 0.398 4.738 4.340 -0.000 0.000 0.281 21 R C -0.440 175.860 176.300 0.001 0.000 1.020 21 R CA -0.746 55.352 56.100 -0.003 0.000 0.899 21 R CB 1.874 32.179 30.300 0.009 0.000 1.205 21 R HN 0.283 nan 8.270 nan 0.000 0.450 22 T N 2.190 116.741 114.554 -0.006 0.000 2.870 22 T HA 0.056 4.406 4.350 -0.000 0.000 0.300 22 T C -0.125 174.578 174.700 0.005 0.000 0.989 22 T CA -0.188 61.909 62.100 -0.006 0.000 1.139 22 T CB 0.513 69.372 68.868 -0.016 0.000 0.920 22 T HN 0.230 nan 8.240 nan 0.000 0.537 23 Q N 2.874 122.681 119.800 0.011 0.000 2.259 23 Q HA 0.265 4.605 4.340 -0.000 0.000 0.249 23 Q C 1.138 177.138 176.000 -0.001 0.000 0.914 23 Q CA -0.191 55.630 55.803 0.030 0.000 0.904 23 Q CB 1.652 30.419 28.738 0.047 0.000 1.213 23 Q HN 0.883 nan 8.270 nan 0.000 0.428 24 S N 0.690 116.393 115.700 0.004 0.000 2.556 24 S HA 0.128 4.598 4.470 -0.000 0.000 0.216 24 S C -0.008 174.319 174.600 -0.454 0.000 0.970 24 S CA 0.076 58.172 58.200 -0.174 0.000 0.912 24 S CB 0.102 63.202 63.200 -0.166 0.000 0.790 24 S HN 0.619 nan 8.310 nan 0.000 0.504 25 H N 0.148 119.216 119.070 -0.003 0.000 2.977 25 H HA 0.747 5.303 4.556 0.000 0.000 0.350 25 H C -0.256 175.069 175.328 -0.004 0.000 1.238 25 H CA -0.420 55.624 56.048 -0.006 0.000 1.124 25 H CB 1.207 30.963 29.762 -0.010 0.000 1.866 25 H HN 0.264 nan 8.280 nan 0.000 0.550 26 A N 0.874 123.767 122.820 0.122 0.000 2.386 26 A HA 0.628 4.948 4.320 -0.000 0.000 0.248 26 A C 0.230 177.846 177.584 0.054 0.000 1.082 26 A CA 0.126 52.202 52.037 0.065 0.000 0.789 26 A CB -0.167 18.860 19.000 0.045 0.000 1.025 26 A HN 0.790 nan 8.150 nan 0.000 0.490 27 A N 0.537 123.383 122.820 0.043 0.000 2.322 27 A HA 0.593 4.913 4.320 -0.000 0.000 0.269 27 A C -0.502 177.032 177.584 -0.082 0.000 1.094 27 A CA -0.296 51.741 52.037 -0.000 0.000 0.807 27 A CB 0.359 19.433 19.000 0.123 0.000 1.047 27 A HN 1.305 nan 8.150 nan 0.000 0.487 28 L N 2.516 123.563 121.223 -0.293 0.000 2.343 28 L HA 0.548 4.888 4.340 -0.000 0.000 0.278 28 L C -1.220 175.320 176.870 -0.551 0.000 0.996 28 L CA 0.122 54.798 54.840 -0.272 0.000 0.831 28 L CB 0.966 42.916 42.059 -0.182 0.000 1.232 28 L HN 0.745 nan 8.230 nan 0.000 0.413 29 H N 2.546 121.625 119.070 0.016 0.000 3.017 29 H HA 0.320 4.876 4.556 -0.000 0.000 0.340 29 H C -0.520 174.819 175.328 0.018 0.000 1.014 29 H CA -0.587 55.472 56.048 0.019 0.000 1.341 29 H CB 1.904 31.680 29.762 0.024 0.000 1.739 29 H HN 0.638 nan 8.280 nan 0.000 0.506 30 S N 1.745 117.512 115.700 0.111 0.000 2.584 30 S HA 0.002 4.472 4.470 -0.000 0.000 0.270 30 S C 1.184 175.829 174.600 0.075 0.000 1.346 30 S CA 0.088 58.331 58.200 0.071 0.000 1.018 30 S CB 1.099 64.328 63.200 0.049 0.000 0.899 30 S HN 0.575 nan 8.310 nan 0.000 0.542 31 T N 1.768 116.354 114.554 0.054 0.000 2.759 31 T HA -0.111 4.239 4.350 -0.000 0.000 0.269 31 T C 1.603 176.329 174.700 0.043 0.000 1.042 31 T CA 1.506 63.634 62.100 0.046 0.000 1.140 31 T CB -0.522 68.367 68.868 0.035 0.000 0.864 31 T HN 0.542 nan 8.240 nan 0.000 0.455 32 L N 1.389 122.636 121.223 0.040 0.000 2.027 32 L HA 0.114 4.454 4.340 -0.000 0.000 0.206 32 L C 2.622 179.516 176.870 0.040 0.000 1.074 32 L CA 1.903 56.764 54.840 0.035 0.000 0.745 32 L CB -1.105 40.971 42.059 0.029 0.000 0.898 32 L HN 0.209 nan 8.230 nan 0.000 0.433 33 A N -0.708 122.143 122.820 0.052 0.000 1.908 33 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 33 A C 2.293 179.911 177.584 0.056 0.000 1.181 33 A CA 1.745 53.818 52.037 0.060 0.000 0.627 33 A CB -0.533 18.522 19.000 0.092 0.000 0.818 33 A HN 0.380 nan 8.150 nan 0.000 0.445 34 K N 0.106 120.541 120.400 0.058 0.000 2.057 34 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 34 K C 1.936 178.566 176.600 0.050 0.000 1.049 34 K CA 1.636 57.952 56.287 0.048 0.000 0.931 34 K CB -0.368 32.160 32.500 0.046 0.000 0.714 34 K HN 0.557 nan 8.250 nan 0.000 0.440 35 K N 0.632 121.058 120.400 0.043 0.000 2.057 35 K HA -0.060 4.260 4.320 -0.000 0.000 0.207 35 K C 2.194 178.815 176.600 0.036 0.000 1.049 35 K CA 0.998 57.308 56.287 0.038 0.000 0.931 35 K CB -0.140 32.378 32.500 0.030 0.000 0.714 35 K HN 0.063 nan 8.250 nan 0.000 0.440 36 L N 0.348 121.590 121.223 0.033 0.000 2.291 36 L HA -0.142 4.198 4.340 -0.000 0.000 0.214 36 L C 1.886 178.772 176.870 0.026 0.000 1.120 36 L CA 0.868 55.721 54.840 0.022 0.000 0.799 36 L CB -0.188 41.880 42.059 0.016 0.000 0.925 36 L HN 0.164 nan 8.230 nan 0.000 0.446 37 D N -0.083 120.350 120.400 0.055 0.000 2.301 37 D HA -0.129 4.511 4.640 -0.000 0.000 0.206 37 D C 2.151 178.552 176.300 0.169 0.000 0.979 37 D CA 0.520 54.579 54.000 0.098 0.000 0.874 37 D CB 0.277 41.158 40.800 0.135 0.000 0.968 37 D HN -0.008 nan 8.370 nan 0.000 0.510 38 K N 0.582 121.069 120.400 0.145 0.000 2.074 38 K HA -0.197 4.123 4.320 -0.000 0.000 0.209 38 K C 1.714 178.390 176.600 0.126 0.000 1.048 38 K CA 1.277 57.665 56.287 0.168 0.000 0.926 38 K CB 0.098 32.655 32.500 0.095 0.000 0.713 38 K HN 0.029 nan 8.250 nan 0.000 0.444 39 K N -0.917 119.513 120.400 0.050 0.000 2.209 39 K HA -0.194 4.126 4.320 -0.000 0.000 0.204 39 K C 1.992 178.555 176.600 -0.061 0.000 1.048 39 K CA 1.464 57.752 56.287 0.000 0.000 0.940 39 K CB -0.247 32.242 32.500 -0.019 0.000 0.729 39 K HN 0.306 nan 8.250 nan 0.000 0.451 40 H N -0.795 118.121 119.070 -0.257 0.000 2.423 40 H HA -0.126 4.430 4.556 -0.000 0.000 0.297 40 H C 0.747 175.777 175.328 -0.496 0.000 1.075 40 H CA 1.636 57.372 56.048 -0.519 0.000 1.342 40 H CB 0.129 29.369 29.762 -0.871 0.000 1.395 40 H HN 0.282 nan 8.280 nan 0.000 0.530 41 W N 0.219 121.554 121.300 0.058 0.000 3.220 41 W HA 0.227 4.887 4.660 0.000 0.000 0.328 41 W C 0.404 176.889 176.519 -0.057 0.000 1.205 41 W CA -0.755 56.521 57.345 -0.115 0.000 1.773 41 W CB 0.287 29.641 29.460 -0.178 0.000 1.086 41 W HN -0.159 nan 8.180 nan 0.000 0.622 42 K N 2.135 122.627 120.400 0.154 0.000 2.466 42 K HA -0.052 4.268 4.320 -0.000 0.000 0.278 42 K C 1.173 177.851 176.600 0.130 0.000 1.048 42 K CA 0.661 57.013 56.287 0.107 0.000 1.088 42 K CB 0.443 32.972 32.500 0.049 0.000 0.884 42 K HN -0.051 nan 8.250 nan 0.000 0.478 43 R N 2.068 122.628 120.500 0.099 0.000 2.121 43 R HA 0.054 4.394 4.340 -0.000 0.000 0.206 43 R C 0.479 176.807 176.300 0.046 0.000 1.094 43 R CA 0.429 56.589 56.100 0.099 0.000 1.055 43 R CB -0.493 29.854 30.300 0.078 0.000 0.964 43 R HN 0.818 nan 8.270 nan 0.000 0.473 44 N N 1.999 120.712 118.700 0.021 0.000 2.405 44 N HA 0.206 4.946 4.740 -0.000 0.000 0.269 44 N C -2.641 172.855 175.510 -0.022 0.000 1.249 44 N CA -1.642 51.404 53.050 -0.006 0.000 0.974 44 N CB -0.707 37.773 38.487 -0.010 0.000 1.204 44 N HN -0.235 nan 8.380 nan 0.000 0.565 45 P HA 0.055 nan 4.420 nan 0.000 0.267 45 P C -0.728 176.527 177.300 -0.075 0.000 1.200 45 P CA 0.190 63.252 63.100 -0.063 0.000 0.772 45 P CB 0.276 31.940 31.700 -0.060 0.000 0.855 46 D N 2.072 122.406 120.400 -0.109 0.000 2.313 46 D HA 0.021 4.661 4.640 -0.000 0.000 0.239 46 D C 1.137 177.327 176.300 -0.182 0.000 1.142 46 D CA -0.376 53.551 54.000 -0.122 0.000 0.847 46 D CB 0.876 41.602 40.800 -0.123 0.000 1.082 46 D HN 0.338 nan 8.370 nan 0.000 0.480 47 K N 2.958 123.266 120.400 -0.153 0.000 2.211 47 K HA -0.130 4.190 4.320 -0.000 0.000 0.204 47 K C 0.545 176.943 176.600 -0.337 0.000 1.047 47 K CA 0.932 57.106 56.287 -0.189 0.000 0.935 47 K CB 0.081 32.518 32.500 -0.106 0.000 0.728 47 K HN 0.175 nan 8.250 nan 0.000 0.452 48 N N 0.327 118.841 118.700 -0.310 0.000 2.336 48 N HA -0.002 4.738 4.740 -0.000 0.000 0.189 48 N C -0.372 174.771 175.510 -0.611 0.000 1.113 48 N CA 0.106 52.922 53.050 -0.390 0.000 0.858 48 N CB 0.179 38.598 38.487 -0.113 0.000 0.970 48 N HN 0.189 nan 8.380 nan 0.000 0.471 49 C N 0.764 119.720 119.300 -0.573 0.000 2.285 49 C HA 0.410 4.870 4.460 -0.000 0.000 0.335 49 C C 0.769 175.401 174.990 -0.597 0.000 1.267 49 C CA -0.579 58.176 59.018 -0.438 0.000 1.762 49 C CB -1.409 26.133 27.740 -0.330 0.000 2.365 49 C HN 0.289 nan 8.230 nan 0.000 0.527 50 F N 4.104 124.046 119.950 -0.013 0.000 2.653 50 F HA 0.243 4.770 4.527 0.000 0.000 0.304 50 F C 1.412 177.232 175.800 0.032 0.000 1.092 50 F CA -0.372 57.635 58.000 0.012 0.000 1.279 50 F CB -0.308 38.724 39.000 0.054 0.000 1.044 50 F HN 0.677 nan 8.300 nan 0.000 0.564 51 H N -1.450 117.689 119.070 0.115 0.000 2.529 51 H HA 0.446 5.002 4.556 0.000 0.000 0.348 51 H C -0.707 174.634 175.328 0.022 0.000 1.152 51 H CA -1.392 54.696 56.048 0.065 0.000 1.202 51 H CB 1.412 31.205 29.762 0.051 0.000 1.562 51 H HN 0.036 nan 8.280 nan 0.000 0.515 52 C N 4.003 123.356 119.300 0.089 0.000 2.307 52 C HA 0.152 4.612 4.460 -0.000 0.000 0.340 52 C C 0.840 175.865 174.990 0.058 0.000 1.275 52 C CA -0.354 58.674 59.018 0.017 0.000 1.811 52 C CB -0.851 26.890 27.740 0.002 0.000 2.372 52 C HN 1.018 nan 8.230 nan 0.000 0.531 53 E N 4.495 124.710 120.200 0.024 0.000 2.653 53 E HA -0.113 4.237 4.350 -0.000 0.000 0.264 53 E C 0.018 176.622 176.600 0.006 0.000 0.949 53 E CA 0.387 56.807 56.400 0.034 0.000 0.953 53 E CB 0.561 30.257 29.700 -0.008 0.000 0.925 53 E HN 0.761 nan 8.360 nan 0.000 0.475 54 K N 4.512 124.917 120.400 0.009 0.000 2.491 54 K HA -0.061 4.259 4.320 -0.000 0.000 0.279 54 K C 0.139 176.709 176.600 -0.050 0.000 1.026 54 K CA 0.272 56.549 56.287 -0.017 0.000 1.070 54 K CB 0.256 32.749 32.500 -0.012 0.000 0.887 54 K HN 0.612 nan 8.250 nan 0.000 0.481 55 L N 3.687 124.863 121.223 -0.079 0.000 3.122 55 L HA 0.188 4.528 4.340 -0.000 0.000 0.274 55 L C 0.220 176.994 176.870 -0.160 0.000 1.222 55 L CA -0.332 54.424 54.840 -0.139 0.000 1.028 55 L CB 0.415 42.358 42.059 -0.194 0.000 1.386 55 L HN 0.715 nan 8.230 nan 0.000 0.578 56 E N 1.536 121.680 120.200 -0.093 0.000 2.417 56 E HA -0.126 4.224 4.350 -0.000 0.000 0.261 56 E C 0.591 177.154 176.600 -0.062 0.000 1.000 56 E CA 0.152 56.512 56.400 -0.068 0.000 0.919 56 E CB 0.249 29.938 29.700 -0.018 0.000 0.955 56 E HN 0.250 nan 8.360 nan 0.000 0.455 57 N N 3.100 121.762 118.700 -0.064 0.000 2.708 57 N HA -0.255 4.485 4.740 -0.000 0.000 0.251 57 N C -1.400 174.107 175.510 -0.005 0.000 1.123 57 N CA 0.925 54.016 53.050 0.070 0.000 0.739 57 N CB -1.038 37.539 38.487 0.149 0.000 1.113 57 N HN 0.486 nan 8.380 nan 0.000 0.561 58 N N 0.509 119.046 118.700 -0.272 0.000 2.527 58 N HA 0.217 4.957 4.740 -0.000 0.000 0.236 58 N C -0.589 174.705 175.510 -0.360 0.000 0.999 58 N CA -0.224 52.714 53.050 -0.186 0.000 0.935 58 N CB -0.195 38.196 38.487 -0.160 0.000 1.132 58 N HN 0.185 nan 8.380 nan 0.000 0.511 59 F N 0.641 120.654 119.950 0.106 0.000 2.684 59 F HA 0.280 4.807 4.527 -0.000 0.000 0.298 59 F C 0.450 176.364 175.800 0.190 0.000 1.120 59 F CA -0.692 57.437 58.000 0.215 0.000 1.332 59 F CB 0.212 39.329 39.000 0.196 0.000 0.986 59 F HN 0.184 nan 8.300 nan 0.000 0.524 60 D N 0.764 121.282 120.400 0.196 0.000 2.400 60 D HA -0.067 4.573 4.640 -0.000 0.000 0.238 60 D C 0.028 176.437 176.300 0.182 0.000 1.157 60 D CA 0.153 54.248 54.000 0.158 0.000 0.889 60 D CB 0.597 41.448 40.800 0.085 0.000 1.199 60 D HN 0.064 nan 8.370 nan 0.000 0.436 61 D N 0.705 121.205 120.400 0.168 0.000 2.487 61 D HA -0.048 4.592 4.640 -0.000 0.000 0.243 61 D C 0.964 177.355 176.300 0.153 0.000 1.154 61 D CA 0.157 54.263 54.000 0.175 0.000 0.876 61 D CB 0.236 41.115 40.800 0.131 0.000 1.161 61 D HN 0.430 nan 8.370 nan 0.000 0.478 62 I N -0.261 120.423 120.570 0.191 0.000 4.082 62 I HA 0.242 4.412 4.170 -0.000 0.000 0.337 62 I C 0.217 176.473 176.117 0.231 0.000 1.352 62 I CA -0.715 60.684 61.300 0.165 0.000 1.097 62 I CB 0.072 38.134 38.000 0.103 0.000 1.048 62 I HN -0.023 nan 8.210 nan 0.000 0.393 63 K N 1.823 122.344 120.400 0.203 0.000 2.451 63 K HA 0.101 4.421 4.320 -0.000 0.000 0.280 63 K C 0.246 177.007 176.600 0.269 0.000 1.020 63 K CA 0.110 56.511 56.287 0.191 0.000 1.008 63 K CB 0.560 33.139 32.500 0.133 0.000 0.917 63 K HN 0.393 nan 8.250 nan 0.000 0.478 64 H N 0.321 119.421 119.070 0.051 0.000 2.535 64 H HA -0.059 4.497 4.556 -0.000 0.000 0.273 64 H C 1.551 176.902 175.328 0.039 0.000 0.983 64 H CA 1.120 57.192 56.048 0.040 0.000 1.238 64 H CB 0.478 30.259 29.762 0.032 0.000 1.412 64 H HN 0.683 nan 8.280 nan 0.000 0.562 65 T N -1.578 113.075 114.554 0.165 0.000 3.100 65 T HA -0.002 4.348 4.350 -0.000 0.000 0.253 65 T C 1.036 175.788 174.700 0.088 0.000 1.118 65 T CA -0.112 62.052 62.100 0.107 0.000 1.058 65 T CB -0.192 68.727 68.868 0.085 0.000 0.953 65 T HN -0.037 nan 8.240 nan 0.000 0.515 66 T N 3.041 117.651 114.554 0.093 0.000 2.934 66 T HA 0.398 4.748 4.350 -0.000 0.000 0.306 66 T C -0.232 174.502 174.700 0.058 0.000 1.042 66 T CA 0.167 62.315 62.100 0.080 0.000 1.145 66 T CB 0.130 69.049 68.868 0.083 0.000 0.982 66 T HN 0.290 nan 8.240 nan 0.000 0.544 67 L N 2.014 123.269 121.223 0.052 0.000 2.370 67 L HA 0.710 5.050 4.340 -0.000 0.000 0.266 67 L C 0.847 177.689 176.870 -0.047 0.000 1.002 67 L CA -1.042 53.786 54.840 -0.021 0.000 0.818 67 L CB 2.085 44.098 42.059 -0.077 0.000 1.325 67 L HN 0.739 nan 8.230 nan 0.000 0.418 68 G N -0.315 108.387 108.800 -0.164 0.000 2.552 68 G HA2 0.245 4.205 3.960 -0.000 0.000 0.318 68 G HA3 0.245 4.205 3.960 -0.000 0.000 0.318 68 G C 0.384 174.963 174.900 -0.536 0.000 1.240 68 G CA -0.253 44.704 45.100 -0.238 0.000 1.002 68 G HN 0.787 nan 8.290 nan 0.000 0.493 69 E N -0.570 119.351 120.200 -0.465 0.000 2.058 69 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 69 E C 2.280 178.640 176.600 -0.400 0.000 0.997 69 E CA 1.123 57.142 56.400 -0.634 0.000 0.801 69 E CB -0.067 29.570 29.700 -0.105 0.000 0.746 69 E HN 0.504 nan 8.360 nan 0.000 0.450 70 R N -0.097 120.276 120.500 -0.212 0.000 2.094 70 R HA -0.152 4.188 4.340 -0.000 0.000 0.239 70 R C 2.356 178.579 176.300 -0.129 0.000 1.137 70 R CA 1.893 57.932 56.100 -0.102 0.000 0.943 70 R CB -0.743 29.552 30.300 -0.007 0.000 0.850 70 R HN 0.302 nan 8.270 nan 0.000 0.433 71 G N -0.312 108.394 108.800 -0.157 0.000 2.408 71 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 71 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 71 G C 1.528 176.319 174.900 -0.183 0.000 1.150 71 G CA 0.719 45.740 45.100 -0.131 0.000 0.776 71 G HN 0.508 nan 8.290 nan 0.000 0.542 72 A N 0.606 123.209 122.820 -0.362 0.000 1.898 72 A HA 0.130 4.450 4.320 -0.000 0.000 0.216 72 A C 2.418 179.884 177.584 -0.196 0.000 1.181 72 A CA 1.121 52.928 52.037 -0.383 0.000 0.620 72 A CB -0.392 18.027 19.000 -0.968 0.000 0.819 72 A HN 0.342 nan 8.150 nan 0.000 0.442 73 L N -1.053 120.064 121.223 -0.177 0.000 2.046 73 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 73 L C 2.909 179.768 176.870 -0.018 0.000 1.077 73 L CA 1.455 56.277 54.840 -0.030 0.000 0.747 73 L CB -0.477 41.585 42.059 0.006 0.000 0.896 73 L HN 0.364 nan 8.230 nan 0.000 0.432 74 R N -0.203 120.273 120.500 -0.040 0.000 2.073 74 R HA -0.216 4.124 4.340 -0.000 0.000 0.234 74 R C 2.250 178.540 176.300 -0.016 0.000 1.134 74 R CA 1.652 57.739 56.100 -0.022 0.000 0.952 74 R CB -0.244 30.041 30.300 -0.026 0.000 0.850 74 R HN 0.234 nan 8.270 nan 0.000 0.433 75 E N 0.680 120.864 120.200 -0.026 0.000 2.106 75 E HA -0.098 4.252 4.350 -0.000 0.000 0.192 75 E C 1.759 178.358 176.600 -0.002 0.000 0.984 75 E CA 1.364 57.757 56.400 -0.012 0.000 0.806 75 E CB -0.064 29.628 29.700 -0.012 0.000 0.750 75 E HN 0.332 nan 8.360 nan 0.000 0.458 76 A N 0.127 122.951 122.820 0.008 0.000 1.930 76 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 76 A C 2.198 179.793 177.584 0.018 0.000 1.175 76 A CA 1.579 53.630 52.037 0.025 0.000 0.627 76 A CB -0.465 18.580 19.000 0.074 0.000 0.815 76 A HN 0.332 nan 8.150 nan 0.000 0.443 77 M N -1.603 118.009 119.600 0.020 0.000 2.319 77 M HA -0.057 4.423 4.480 -0.000 0.000 0.265 77 M C 2.303 178.609 176.300 0.010 0.000 1.068 77 M CA 1.331 56.643 55.300 0.019 0.000 1.118 77 M CB -0.166 32.444 32.600 0.018 0.000 1.395 77 M HN 0.435 nan 8.290 nan 0.000 0.435 78 R N 0.112 120.614 120.500 0.004 0.000 2.115 78 R HA -0.060 4.280 4.340 -0.000 0.000 0.226 78 R C 0.841 177.141 176.300 0.000 0.000 1.100 78 R CA 0.526 56.628 56.100 0.003 0.000 0.980 78 R CB -0.130 30.171 30.300 0.001 0.000 0.875 78 R HN 0.452 nan 8.270 nan 0.000 0.445 79 C N 1.249 120.543 119.300 -0.009 0.000 2.538 79 C HA -0.001 4.459 4.460 -0.000 0.000 0.408 79 C C 1.893 176.873 174.990 -0.017 0.000 1.421 79 C CA -0.365 58.639 59.018 -0.024 0.000 1.642 79 C CB -0.495 27.213 27.740 -0.054 0.000 2.553 79 C HN 0.569 nan 8.230 nan 0.000 0.604 80 L N 3.873 125.087 121.223 -0.015 0.000 2.478 80 L HA 0.047 4.387 4.340 -0.000 0.000 0.223 80 L C 1.563 178.423 176.870 -0.016 0.000 1.140 80 L CA 0.489 55.325 54.840 -0.005 0.000 0.842 80 L CB -0.613 41.447 42.059 0.001 0.000 0.953 80 L HN 0.828 nan 8.230 nan 0.000 0.452 81 K N -0.071 120.305 120.400 -0.040 0.000 3.419 81 K HA -0.170 4.150 4.320 -0.000 0.000 0.272 81 K C -0.122 176.453 176.600 -0.041 0.000 0.973 81 K CA -0.078 56.177 56.287 -0.053 0.000 0.749 81 K CB -2.312 30.165 32.500 -0.038 0.000 1.403 81 K HN 0.309 nan 8.250 nan 0.000 0.456 82 C N 0.687 119.962 119.300 -0.042 0.000 2.703 82 C HA 0.396 4.856 4.460 -0.000 0.000 0.411 82 C C 1.615 176.585 174.990 -0.033 0.000 1.290 82 C CA -0.444 58.556 59.018 -0.030 0.000 2.054 82 C CB 0.071 27.796 27.740 -0.026 0.000 2.732 82 C HN 0.665 nan 8.230 nan 0.000 0.650 83 A N 1.152 123.959 122.820 -0.022 0.000 2.340 83 A HA 0.468 4.788 4.320 -0.000 0.000 0.268 83 A C 0.654 178.228 177.584 -0.016 0.000 1.100 83 A CA 0.076 52.102 52.037 -0.019 0.000 0.803 83 A CB -0.091 18.901 19.000 -0.014 0.000 1.043 83 A HN 1.093 nan 8.150 nan 0.000 0.488 84 D N -0.049 120.344 120.400 -0.012 0.000 2.702 84 D HA -0.142 4.498 4.640 -0.000 0.000 0.233 84 D C 0.505 176.796 176.300 -0.015 0.000 1.164 84 D CA 1.087 55.085 54.000 -0.004 0.000 0.638 84 D CB -1.202 39.602 40.800 0.006 0.000 1.041 84 D HN 1.175 nan 8.370 nan 0.000 0.422 85 A N 0.614 123.412 122.820 -0.036 0.000 2.591 85 A HA 0.127 4.447 4.320 -0.000 0.000 0.244 85 A C -0.437 177.122 177.584 -0.041 0.000 1.031 85 A CA 0.078 52.087 52.037 -0.047 0.000 0.767 85 A CB 0.348 19.302 19.000 -0.075 0.000 0.942 85 A HN 0.334 nan 8.150 nan 0.000 0.514 86 P HA -0.144 nan 4.420 nan 0.000 0.221 86 P C 1.610 178.895 177.300 -0.026 0.000 1.150 86 P CA 1.649 64.738 63.100 -0.018 0.000 0.800 86 P CB -0.437 31.257 31.700 -0.010 0.000 0.787 87 C N -0.417 118.860 119.300 -0.038 0.000 2.429 87 C HA -0.116 4.344 4.460 -0.000 0.000 0.277 87 C C 3.001 177.961 174.990 -0.051 0.000 1.262 87 C CA 0.973 59.967 59.018 -0.040 0.000 1.733 87 C CB -2.221 25.489 27.740 -0.049 0.000 2.010 87 C HN 0.217 nan 8.230 nan 0.000 0.483 88 Q N 1.442 121.187 119.800 -0.091 0.000 2.084 88 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 88 Q C 2.270 178.199 176.000 -0.118 0.000 0.978 88 Q CA 1.582 57.287 55.803 -0.164 0.000 0.844 88 Q CB -0.191 28.375 28.738 -0.286 0.000 0.898 88 Q HN 0.720 nan 8.270 nan 0.000 0.426 89 K N -0.199 120.178 120.400 -0.038 0.000 2.209 89 K HA -0.039 4.281 4.320 -0.000 0.000 0.204 89 K C 1.762 178.394 176.600 0.054 0.000 1.048 89 K CA 1.287 57.613 56.287 0.065 0.000 0.940 89 K CB 0.128 32.659 32.500 0.051 0.000 0.729 89 K HN 0.062 nan 8.250 nan 0.000 0.451 90 S N 0.235 115.944 115.700 0.015 0.000 2.575 90 S HA 0.006 4.476 4.470 -0.000 0.000 0.215 90 S C 0.385 174.993 174.600 0.014 0.000 0.966 90 S CA -0.261 57.945 58.200 0.010 0.000 0.911 90 S CB -0.056 63.140 63.200 -0.008 0.000 0.780 90 S HN 0.352 nan 8.310 nan 0.000 0.514 91 C N 3.410 122.722 119.300 0.021 0.000 2.285 91 C HA 0.459 4.919 4.460 -0.000 0.000 0.335 91 C C -1.560 173.459 174.990 0.049 0.000 1.267 91 C CA -2.200 56.833 59.018 0.025 0.000 1.762 91 C CB 0.488 28.236 27.740 0.013 0.000 2.365 91 C HN 0.239 nan 8.230 nan 0.000 0.527 92 P HA -0.105 nan 4.420 nan 0.000 0.218 92 P C 1.279 178.605 177.300 0.042 0.000 1.146 92 P CA 1.953 65.073 63.100 0.033 0.000 0.813 92 P CB 0.065 31.775 31.700 0.017 0.000 0.778 93 T N -6.647 107.934 114.554 0.045 0.000 3.122 93 T HA 0.151 4.501 4.350 -0.000 0.000 0.250 93 T C 0.420 175.190 174.700 0.117 0.000 1.067 93 T CA -0.251 61.880 62.100 0.050 0.000 0.966 93 T CB -1.038 67.844 68.868 0.024 0.000 1.002 93 T HN 0.078 nan 8.240 nan 0.000 0.542 94 H N -0.255 118.809 119.070 -0.009 0.000 2.791 94 H HA -0.113 4.443 4.556 -0.000 0.000 0.302 94 H C -0.446 174.889 175.328 0.011 0.000 1.198 94 H CA -0.170 55.875 56.048 -0.005 0.000 1.145 94 H CB -2.298 27.453 29.762 -0.018 0.000 1.385 94 H HN 0.356 nan 8.280 nan 0.000 0.409 95 L N 1.067 122.281 121.223 -0.015 0.000 2.525 95 L HA 0.052 4.392 4.340 -0.000 0.000 0.278 95 L C 0.927 177.772 176.870 -0.041 0.000 1.218 95 L CA 0.826 55.672 54.840 0.009 0.000 0.878 95 L CB 0.342 42.449 42.059 0.080 0.000 1.127 95 L HN 0.382 nan 8.230 nan 0.000 0.492 96 D N 3.815 124.219 120.400 0.007 0.000 2.551 96 D HA 0.055 4.695 4.640 -0.000 0.000 0.223 96 D C 1.349 177.653 176.300 0.007 0.000 1.144 96 D CA 0.204 54.185 54.000 -0.032 0.000 1.025 96 D CB 0.073 40.870 40.800 -0.005 0.000 1.085 96 D HN 0.437 nan 8.370 nan 0.000 0.506 97 I N 1.897 122.415 120.570 -0.087 0.000 2.208 97 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 97 I C 2.483 178.303 176.117 -0.495 0.000 1.097 97 I CA 0.901 61.975 61.300 -0.377 0.000 1.363 97 I CB -0.130 37.708 38.000 -0.269 0.000 1.051 97 I HN 0.313 nan 8.210 nan 0.000 0.413 98 K N 1.041 121.289 120.400 -0.254 0.000 2.044 98 K HA -0.210 4.110 4.320 -0.000 0.000 0.210 98 K C 2.220 178.721 176.600 -0.164 0.000 1.049 98 K CA 2.193 58.365 56.287 -0.191 0.000 0.927 98 K CB -0.065 32.367 32.500 -0.113 0.000 0.713 98 K HN 0.186 nan 8.250 nan 0.000 0.443 99 S N 0.656 116.293 115.700 -0.105 0.000 2.368 99 S HA -0.103 4.367 4.470 -0.000 0.000 0.224 99 S C 1.632 176.246 174.600 0.023 0.000 1.029 99 S CA 1.290 59.467 58.200 -0.038 0.000 0.988 99 S CB -0.446 62.749 63.200 -0.008 0.000 0.838 99 S HN 0.557 nan 8.310 nan 0.000 0.462 100 F N 1.880 121.817 119.950 -0.022 0.000 2.234 100 F HA 0.143 4.670 4.527 -0.000 0.000 0.299 100 F C 1.690 177.512 175.800 0.037 0.000 1.087 100 F CA 0.612 58.611 58.000 -0.002 0.000 1.340 100 F CB -0.795 38.196 39.000 -0.015 0.000 1.031 100 F HN 0.098 nan 8.300 nan 0.000 0.500 101 I N 0.525 120.865 120.570 -0.382 0.000 2.439 101 I HA -0.213 3.957 4.170 -0.000 0.000 0.251 101 I C 2.221 178.330 176.117 -0.012 0.000 1.139 101 I CA 1.485 62.661 61.300 -0.207 0.000 1.438 101 I CB -0.842 36.920 38.000 -0.397 0.000 1.085 101 I HN 0.224 nan 8.210 nan 0.000 0.427 102 T N 0.108 114.643 114.554 -0.032 0.000 2.746 102 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 102 T C 2.143 176.887 174.700 0.074 0.000 1.039 102 T CA 1.718 63.828 62.100 0.016 0.000 1.142 102 T CB -0.124 68.738 68.868 -0.010 0.000 0.866 102 T HN 0.266 nan 8.240 nan 0.000 0.444 103 S N 1.019 116.779 115.700 0.100 0.000 2.368 103 S HA -0.005 4.465 4.470 -0.000 0.000 0.225 103 S C 2.035 176.747 174.600 0.187 0.000 1.030 103 S CA 0.900 59.177 58.200 0.129 0.000 0.999 103 S CB -0.408 62.875 63.200 0.137 0.000 0.844 103 S HN 0.429 nan 8.310 nan 0.000 0.459 104 I N 1.931 122.669 120.570 0.280 0.000 2.226 104 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 104 I C 2.662 178.957 176.117 0.296 0.000 1.100 104 I CA 1.397 62.946 61.300 0.414 0.000 1.374 104 I CB -0.570 37.685 38.000 0.426 0.000 1.057 104 I HN 0.377 nan 8.210 nan 0.000 0.413 105 S N 0.920 116.727 115.700 0.178 0.000 2.419 105 S HA -0.133 4.337 4.470 -0.000 0.000 0.233 105 S C 1.476 176.143 174.600 0.112 0.000 1.016 105 S CA 1.166 59.441 58.200 0.125 0.000 0.974 105 S CB -0.435 62.814 63.200 0.082 0.000 0.786 105 S HN 0.422 nan 8.310 nan 0.000 0.492 106 N N 1.537 120.301 118.700 0.106 0.000 2.314 106 N HA 0.217 4.957 4.740 -0.000 0.000 0.200 106 N C -0.265 175.250 175.510 0.009 0.000 1.135 106 N CA 0.140 53.238 53.050 0.079 0.000 0.835 106 N CB -0.039 38.519 38.487 0.118 0.000 0.989 106 N HN 0.535 nan 8.380 nan 0.000 0.478 107 K N -0.621 119.756 120.400 -0.037 0.000 3.341 107 K HA -0.204 4.117 4.320 -0.000 0.000 0.305 107 K C -0.247 175.979 176.600 -0.623 0.000 1.270 107 K CA 0.475 56.538 56.287 -0.373 0.000 0.897 107 K CB -1.627 30.761 32.500 -0.187 0.000 1.264 107 K HN 0.135 nan 8.250 nan 0.000 0.468 108 N N 0.803 119.347 118.700 -0.260 0.000 3.083 108 N HA 0.120 4.860 4.740 -0.000 0.000 0.260 108 N C 0.378 175.914 175.510 0.043 0.000 1.163 108 N CA -0.325 52.670 53.050 -0.093 0.000 1.060 108 N CB 0.184 38.699 38.487 0.047 0.000 1.345 108 N HN 0.079 nan 8.380 nan 0.000 0.515 109 Y N 0.724 121.150 120.300 0.210 0.000 2.293 109 Y HA -0.128 4.422 4.550 0.000 0.000 0.291 109 Y C 1.792 177.775 175.900 0.139 0.000 1.137 109 Y CA 0.715 58.918 58.100 0.173 0.000 1.202 109 Y CB -1.034 37.514 38.460 0.148 0.000 0.990 109 Y HN 0.540 nan 8.280 nan 0.000 0.537 110 Y N 0.614 121.044 120.300 0.218 0.000 2.114 110 Y HA -0.117 4.433 4.550 -0.000 0.000 0.284 110 Y C 2.558 178.471 175.900 0.021 0.000 1.143 110 Y CA 1.567 59.742 58.100 0.124 0.000 1.135 110 Y CB -0.805 37.730 38.460 0.125 0.000 0.980 110 Y HN 0.053 nan 8.280 nan 0.000 0.499 111 G N -0.100 108.655 108.800 -0.075 0.000 2.442 111 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.219 111 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.219 111 G C 1.810 176.624 174.900 -0.142 0.000 1.141 111 G CA 1.127 46.134 45.100 -0.155 0.000 0.763 111 G HN 0.650 nan 8.290 nan 0.000 0.554 112 A N 1.204 124.022 122.820 -0.005 0.000 1.877 112 A HA 0.282 4.601 4.320 -0.000 0.000 0.216 112 A C 2.841 180.355 177.584 -0.117 0.000 1.186 112 A CA 2.295 54.372 52.037 0.067 0.000 0.620 112 A CB -0.869 18.272 19.000 0.235 0.000 0.822 112 A HN 0.800 nan 8.150 nan 0.000 0.443 113 A N -0.148 122.558 122.820 -0.190 0.000 1.902 113 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 113 A C 2.142 179.479 177.584 -0.412 0.000 1.181 113 A CA 2.056 53.927 52.037 -0.277 0.000 0.623 113 A CB -0.486 18.296 19.000 -0.364 0.000 0.818 113 A HN 0.581 nan 8.150 nan 0.000 0.443 114 K N -1.270 118.780 120.400 -0.584 0.000 2.063 114 K HA -0.202 4.118 4.320 -0.000 0.000 0.208 114 K C 2.019 178.479 176.600 -0.234 0.000 1.048 114 K CA 1.942 57.956 56.287 -0.455 0.000 0.928 114 K CB -0.245 31.903 32.500 -0.586 0.000 0.713 114 K HN 0.364 nan 8.250 nan 0.000 0.442 115 M N 1.177 120.665 119.600 -0.186 0.000 2.132 115 M HA -0.063 4.417 4.480 -0.000 0.000 0.263 115 M C 1.680 177.921 176.300 -0.099 0.000 1.065 115 M CA 1.446 56.696 55.300 -0.084 0.000 1.122 115 M CB -0.130 32.477 32.600 0.012 0.000 1.365 115 M HN 0.219 nan 8.290 nan 0.000 0.411 116 I N -0.888 119.569 120.570 -0.188 0.000 2.113 116 I HA -0.298 3.872 4.170 -0.000 0.000 0.238 116 I C 1.813 177.729 176.117 -0.335 0.000 1.070 116 I CA 1.415 62.533 61.300 -0.304 0.000 1.332 116 I CB -0.511 37.212 38.000 -0.462 0.000 1.044 116 I HN 0.161 nan 8.210 nan 0.000 0.402 117 F N 0.656 120.314 119.950 -0.486 0.000 2.365 117 F HA -0.147 4.380 4.527 -0.000 0.000 0.300 117 F C 2.699 178.269 175.800 -0.383 0.000 1.090 117 F CA 0.946 58.574 58.000 -0.621 0.000 1.408 117 F CB -0.669 37.508 39.000 -1.372 0.000 1.060 117 F HN -0.039 nan 8.300 nan 0.000 0.534 118 S N -0.613 115.043 115.700 -0.073 0.000 2.382 118 S HA -0.185 4.285 4.470 -0.000 0.000 0.228 118 S C 1.578 176.256 174.600 0.130 0.000 1.027 118 S CA 1.567 59.801 58.200 0.057 0.000 0.991 118 S CB -0.197 63.012 63.200 0.016 0.000 0.823 118 S HN 0.392 nan 8.310 nan 0.000 0.469 119 D N 0.165 120.605 120.400 0.067 0.000 2.389 119 D HA 0.126 4.766 4.640 -0.000 0.000 0.206 119 D C 0.112 176.488 176.300 0.127 0.000 1.055 119 D CA 0.265 54.349 54.000 0.139 0.000 0.856 119 D CB 0.209 41.052 40.800 0.071 0.000 0.957 119 D HN 0.161 nan 8.370 nan 0.000 0.509 120 N N 0.393 119.064 118.700 -0.049 0.000 2.621 120 N HA 0.148 4.888 4.740 -0.000 0.000 0.271 120 N C -2.438 172.840 175.510 -0.386 0.000 1.181 120 N CA -1.457 51.504 53.050 -0.148 0.000 0.805 120 N CB 2.091 40.442 38.487 -0.227 0.000 1.351 120 N HN -0.307 nan 8.380 nan 0.000 0.539 121 P HA 0.005 nan 4.420 nan 0.000 0.223 121 P C 0.286 177.427 177.300 -0.264 0.000 1.144 121 P CA 0.842 63.807 63.100 -0.224 0.000 0.783 121 P CB 0.362 31.957 31.700 -0.175 0.000 0.771 122 L N -1.509 119.522 121.223 -0.320 0.000 3.141 122 L HA 0.368 4.708 4.340 -0.000 0.000 0.263 122 L C 1.867 178.495 176.870 -0.403 0.000 1.312 122 L CA 0.059 54.748 54.840 -0.251 0.000 1.012 122 L CB -0.701 41.290 42.059 -0.113 0.000 1.408 122 L HN -0.103 nan 8.230 nan 0.000 0.559 123 G N -0.054 108.184 108.800 -0.938 0.000 2.469 123 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 123 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 123 G C 1.458 176.127 174.900 -0.385 0.000 1.150 123 G CA 0.887 45.459 45.100 -0.879 0.000 0.763 123 G HN 0.369 nan 8.290 nan 0.000 0.561 124 L N 0.703 121.858 121.223 -0.115 0.000 2.072 124 L HA 0.084 4.424 4.340 -0.000 0.000 0.205 124 L C 2.906 179.789 176.870 0.022 0.000 1.079 124 L CA 2.438 57.329 54.840 0.086 0.000 0.752 124 L CB -1.072 41.177 42.059 0.317 0.000 0.906 124 L HN 0.168 nan 8.230 nan 0.000 0.436 125 T N -1.068 113.493 114.554 0.010 0.000 2.684 125 T HA -0.231 4.119 4.350 -0.000 0.000 0.267 125 T C 1.991 176.677 174.700 -0.024 0.000 1.036 125 T CA 1.870 63.970 62.100 -0.001 0.000 1.148 125 T CB -0.670 68.194 68.868 -0.007 0.000 0.863 125 T HN 0.482 nan 8.240 nan 0.000 0.436 126 C N 1.239 120.501 119.300 -0.063 0.000 2.425 126 C HA 0.061 4.521 4.460 -0.000 0.000 0.277 126 C C 3.072 178.039 174.990 -0.040 0.000 1.280 126 C CA 0.318 59.302 59.018 -0.057 0.000 1.744 126 C CB -1.568 26.118 27.740 -0.090 0.000 1.989 126 C HN 0.738 nan 8.230 nan 0.000 0.491 127 G N 0.208 108.976 108.800 -0.054 0.000 2.442 127 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.219 127 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.219 127 G C 1.593 176.500 174.900 0.012 0.000 1.141 127 G CA 0.838 45.925 45.100 -0.021 0.000 0.763 127 G HN 0.523 nan 8.290 nan 0.000 0.554 128 M N 0.113 119.721 119.600 0.012 0.000 2.334 128 M HA 0.068 4.548 4.480 -0.000 0.000 0.266 128 M C 2.429 178.743 176.300 0.024 0.000 1.082 128 M CA 1.035 56.351 55.300 0.028 0.000 1.141 128 M CB 0.247 32.865 32.600 0.031 0.000 1.380 128 M HN 0.246 nan 8.290 nan 0.000 0.440 129 V N -4.134 115.787 119.914 0.012 0.000 3.645 129 V HA 0.203 4.323 4.120 -0.000 0.000 0.275 129 V C 0.793 176.891 176.094 0.006 0.000 1.356 129 V CA -0.639 61.667 62.300 0.010 0.000 1.051 129 V CB -0.760 31.067 31.823 0.007 0.000 0.828 129 V HN 0.276 nan 8.190 nan 0.000 0.441 130 C N 4.400 123.701 119.300 0.003 0.000 2.596 130 C HA 0.269 4.729 4.460 -0.000 0.000 0.414 130 C C -1.271 173.720 174.990 0.002 0.000 1.396 130 C CA -0.078 58.941 59.018 0.001 0.000 1.698 130 C CB 0.133 27.874 27.740 0.001 0.000 2.572 130 C HN 0.541 nan 8.230 nan 0.000 0.604 131 P HA 0.088 nan 4.420 nan 0.000 0.225 131 P C 1.017 178.311 177.300 -0.010 0.000 1.813 131 P CA 0.286 63.379 63.100 -0.012 0.000 1.013 131 P CB -0.091 31.599 31.700 -0.016 0.000 1.961 132 T N -1.034 113.520 114.554 -0.001 0.000 2.721 132 T HA -0.250 4.100 4.350 -0.000 0.000 0.268 132 T C 1.845 176.541 174.700 -0.007 0.000 1.038 132 T CA 2.059 64.162 62.100 0.004 0.000 1.145 132 T CB -1.211 67.668 68.868 0.019 0.000 0.858 132 T HN 0.320 nan 8.240 nan 0.000 0.459 133 S N 1.200 116.892 115.700 -0.013 0.000 2.442 133 S HA -0.135 4.335 4.470 -0.000 0.000 0.236 133 S C 1.619 176.194 174.600 -0.041 0.000 1.007 133 S CA 1.396 59.581 58.200 -0.026 0.000 0.965 133 S CB -0.565 62.621 63.200 -0.025 0.000 0.773 133 S HN 0.624 nan 8.310 nan 0.000 0.504 134 D N -0.324 120.056 120.400 -0.033 0.000 2.369 134 D HA 0.385 5.025 4.640 -0.000 0.000 0.211 134 D C 0.678 176.962 176.300 -0.027 0.000 1.077 134 D CA 0.017 53.996 54.000 -0.034 0.000 0.842 134 D CB 0.194 40.976 40.800 -0.029 0.000 0.947 134 D HN 0.434 nan 8.370 nan 0.000 0.509 135 L N -1.174 120.036 121.223 -0.021 0.000 2.910 135 L HA 0.217 4.557 4.340 -0.000 0.000 0.222 135 L C 2.337 179.199 176.870 -0.013 0.000 1.846 135 L CA -0.303 54.529 54.840 -0.013 0.000 2.581 135 L CB -0.676 41.381 42.059 -0.004 0.000 2.436 135 L HN 0.060 nan 8.230 nan 0.000 0.659 136 C N -0.150 119.148 119.300 -0.002 0.000 2.376 136 C HA -0.131 4.329 4.460 -0.000 0.000 0.275 136 C C 2.406 177.391 174.990 -0.007 0.000 1.200 136 C CA 0.621 59.638 59.018 -0.002 0.000 1.756 136 C CB -1.347 26.402 27.740 0.014 0.000 2.050 136 C HN 0.486 nan 8.230 nan 0.000 0.460 137 V N 2.217 122.132 119.914 0.001 0.000 2.490 137 V HA -0.021 4.099 4.120 -0.000 0.000 0.250 137 V C 3.000 179.081 176.094 -0.021 0.000 1.061 137 V CA 2.233 64.536 62.300 0.005 0.000 1.064 137 V CB -1.625 30.210 31.823 0.020 0.000 0.670 137 V HN 0.786 nan 8.190 nan 0.000 0.461 138 G N -0.118 108.654 108.800 -0.047 0.000 2.498 138 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.219 138 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.219 138 G C 1.284 176.116 174.900 -0.112 0.000 1.119 138 G CA 0.847 45.886 45.100 -0.101 0.000 0.766 138 G HN 0.631 nan 8.290 nan 0.000 0.552 139 G N -1.171 107.593 108.800 -0.060 0.000 3.324 139 G HA2 0.190 4.150 3.960 -0.000 0.000 0.251 139 G HA3 0.190 4.150 3.960 -0.000 0.000 0.251 139 G C 0.410 175.300 174.900 -0.018 0.000 1.072 139 G CA 0.051 45.124 45.100 -0.046 0.000 0.787 139 G HN 0.386 nan 8.290 nan 0.000 0.537 140 C N 1.553 120.853 119.300 -0.001 0.000 2.633 140 C HA 0.159 4.619 4.460 -0.000 0.000 0.415 140 C C 1.862 176.889 174.990 0.063 0.000 1.393 140 C CA -0.445 58.589 59.018 0.027 0.000 1.700 140 C CB -0.410 27.355 27.740 0.041 0.000 2.541 140 C HN 0.464 nan 8.230 nan 0.000 0.603 141 N N 3.236 121.960 118.700 0.041 0.000 2.223 141 N HA -0.101 4.639 4.740 -0.000 0.000 0.185 141 N C 1.452 177.001 175.510 0.066 0.000 1.016 141 N CA 1.286 54.367 53.050 0.050 0.000 0.863 141 N CB -0.169 38.333 38.487 0.024 0.000 0.983 141 N HN 0.779 nan 8.380 nan 0.000 0.429 142 L N 0.065 121.322 121.223 0.057 0.000 2.633 142 L HA -0.116 4.223 4.340 -0.000 0.000 0.235 142 L C 1.834 178.737 176.870 0.053 0.000 1.163 142 L CA 0.282 55.146 54.840 0.041 0.000 0.859 142 L CB -0.390 41.684 42.059 0.024 0.000 0.973 142 L HN 0.157 nan 8.230 nan 0.000 0.451 143 Y N 0.728 121.024 120.300 -0.007 0.000 2.421 143 Y HA -0.158 4.392 4.550 -0.000 0.000 0.292 143 Y C 2.194 178.091 175.900 -0.005 0.000 1.136 143 Y CA 0.889 58.986 58.100 -0.005 0.000 1.255 143 Y CB 0.037 38.495 38.460 -0.005 0.000 0.991 143 Y HN 0.135 nan 8.280 nan 0.000 0.552 144 A N -0.031 122.809 122.820 0.034 0.000 2.276 144 A HA 0.162 4.482 4.320 -0.000 0.000 0.212 144 A C 0.819 178.359 177.584 -0.073 0.000 1.230 144 A CA 0.672 52.698 52.037 -0.018 0.000 0.844 144 A CB -1.116 17.906 19.000 0.036 0.000 0.860 144 A HN 0.387 nan 8.150 nan 0.000 0.486 145 T N -4.726 109.765 114.554 -0.104 0.000 2.924 145 T HA 0.526 4.875 4.350 -0.000 0.000 0.291 145 T C 0.399 175.022 174.700 -0.127 0.000 1.045 145 T CA -0.439 61.608 62.100 -0.088 0.000 1.015 145 T CB 1.477 70.316 68.868 -0.049 0.000 1.103 145 T HN 0.110 nan 8.240 nan 0.000 0.496 146 E N 0.737 120.879 120.200 -0.097 0.000 2.118 146 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 146 E C 2.130 178.678 176.600 -0.088 0.000 0.992 146 E CA 1.631 57.973 56.400 -0.097 0.000 0.804 146 E CB -0.061 29.600 29.700 -0.065 0.000 0.741 146 E HN 0.850 nan 8.360 nan 0.000 0.458 147 E N 0.560 120.723 120.200 -0.062 0.000 2.268 147 E HA -0.052 4.298 4.350 -0.000 0.000 0.195 147 E C 1.112 177.684 176.600 -0.047 0.000 0.995 147 E CA 0.919 57.293 56.400 -0.043 0.000 0.836 147 E CB -0.377 29.308 29.700 -0.024 0.000 0.763 147 E HN 0.142 nan 8.360 nan 0.000 0.491 148 G N 0.631 109.385 108.800 -0.077 0.000 2.757 148 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.638 148 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.638 148 G C -0.335 174.568 174.900 0.006 0.000 1.344 148 G CA -0.199 44.860 45.100 -0.068 0.000 0.855 148 G HN 0.270 nan 8.290 nan 0.000 0.537 149 S N -0.201 115.544 115.700 0.076 0.000 2.576 149 S HA 0.412 4.882 4.470 -0.000 0.000 0.272 149 S C 1.195 175.827 174.600 0.055 0.000 1.352 149 S CA -0.357 57.900 58.200 0.096 0.000 1.021 149 S CB 0.452 63.746 63.200 0.156 0.000 0.887 149 S HN 0.606 nan 8.310 nan 0.000 0.542 150 I N 2.600 123.193 120.570 0.038 0.000 2.575 150 I HA 0.069 4.239 4.170 -0.000 0.000 0.285 150 I C 0.825 176.963 176.117 0.035 0.000 1.085 150 I CA -0.216 61.098 61.300 0.023 0.000 1.403 150 I CB 0.095 38.094 38.000 -0.001 0.000 1.409 150 I HN 0.561 nan 8.210 nan 0.000 0.557 151 N N 6.285 125.009 118.700 0.039 0.000 2.895 151 N HA 0.141 4.881 4.740 -0.000 0.000 0.277 151 N C 0.975 176.529 175.510 0.074 0.000 1.185 151 N CA 0.037 53.120 53.050 0.054 0.000 1.106 151 N CB -0.082 38.436 38.487 0.051 0.000 1.422 151 N HN 0.492 nan 8.380 nan 0.000 0.521 152 I N 0.241 120.857 120.570 0.076 0.000 2.226 152 I HA -0.167 4.003 4.170 -0.000 0.000 0.245 152 I C 2.257 178.485 176.117 0.186 0.000 1.100 152 I CA 1.191 62.566 61.300 0.125 0.000 1.374 152 I CB -0.348 37.706 38.000 0.090 0.000 1.057 152 I HN 0.489 nan 8.210 nan 0.000 0.413 153 G N 0.696 109.566 108.800 0.117 0.000 2.421 153 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.216 153 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.216 153 G C 1.729 176.689 174.900 0.099 0.000 1.171 153 G CA 0.853 46.010 45.100 0.094 0.000 0.775 153 G HN 0.496 nan 8.290 nan 0.000 0.543 154 G N 0.647 109.507 108.800 0.101 0.000 2.422 154 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.218 154 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.218 154 G C 1.805 176.790 174.900 0.143 0.000 1.146 154 G CA 0.651 45.812 45.100 0.102 0.000 0.769 154 G HN 0.424 nan 8.290 nan 0.000 0.547 155 L N -0.290 121.041 121.223 0.180 0.000 2.056 155 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 155 L C 2.959 179.999 176.870 0.282 0.000 1.078 155 L CA 1.445 56.447 54.840 0.270 0.000 0.749 155 L CB -0.388 41.866 42.059 0.326 0.000 0.901 155 L HN 0.313 nan 8.230 nan 0.000 0.433 156 Q N -0.022 119.889 119.800 0.185 0.000 2.084 156 Q HA -0.292 4.048 4.340 -0.000 0.000 0.202 156 Q C 2.250 178.209 176.000 -0.068 0.000 0.978 156 Q CA 1.823 57.534 55.803 -0.154 0.000 0.844 156 Q CB -0.053 28.580 28.738 -0.175 0.000 0.898 156 Q HN 0.460 nan 8.270 nan 0.000 0.426 157 Q N -0.590 119.226 119.800 0.027 0.000 2.050 157 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 157 Q C 1.889 177.913 176.000 0.039 0.000 0.980 157 Q CA 1.642 57.467 55.803 0.036 0.000 0.840 157 Q CB -0.269 28.506 28.738 0.062 0.000 0.898 157 Q HN 0.482 nan 8.270 nan 0.000 0.424 158 F N 0.748 120.671 119.950 -0.045 0.000 2.075 158 F HA -0.149 4.378 4.527 -0.000 0.000 0.297 158 F C 2.089 177.820 175.800 -0.116 0.000 1.113 158 F CA 1.697 59.639 58.000 -0.097 0.000 1.218 158 F CB -0.676 38.252 39.000 -0.119 0.000 0.984 158 F HN 0.161 nan 8.300 nan 0.000 0.472 159 A N -0.549 122.197 122.820 -0.123 0.000 1.902 159 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 159 A C 2.347 179.870 177.584 -0.102 0.000 1.181 159 A CA 2.078 54.027 52.037 -0.146 0.000 0.623 159 A CB -1.290 17.740 19.000 0.050 0.000 0.818 159 A HN 0.450 nan 8.150 nan 0.000 0.443 160 S N -0.323 115.359 115.700 -0.029 0.000 2.382 160 S HA -0.120 4.350 4.470 -0.000 0.000 0.228 160 S C 1.877 176.472 174.600 -0.007 0.000 1.027 160 S CA 1.187 59.471 58.200 0.139 0.000 0.991 160 S CB -0.250 63.102 63.200 0.252 0.000 0.823 160 S HN 0.582 nan 8.310 nan 0.000 0.469 161 E N 0.853 120.959 120.200 -0.157 0.000 2.072 161 E HA -0.070 4.280 4.350 -0.000 0.000 0.191 161 E C 2.261 178.693 176.600 -0.279 0.000 0.985 161 E CA 0.812 57.064 56.400 -0.248 0.000 0.801 161 E CB -0.347 29.212 29.700 -0.236 0.000 0.750 161 E HN 0.333 nan 8.360 nan 0.000 0.452 162 V N 1.317 121.019 119.914 -0.352 0.000 2.358 162 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 162 V C 2.161 178.313 176.094 0.098 0.000 1.047 162 V CA 1.625 63.801 62.300 -0.206 0.000 1.035 162 V CB -0.604 31.004 31.823 -0.358 0.000 0.658 162 V HN 0.163 nan 8.190 nan 0.000 0.452 163 F N 1.577 121.496 119.950 -0.052 0.000 2.134 163 F HA -0.180 4.347 4.527 0.000 0.000 0.299 163 F C 2.435 178.175 175.800 -0.100 0.000 1.097 163 F CA 2.220 60.230 58.000 0.018 0.000 1.264 163 F CB -0.433 38.558 39.000 -0.014 0.000 1.001 163 F HN 0.053 nan 8.300 nan 0.000 0.479 164 K N 0.403 120.476 120.400 -0.546 0.000 2.063 164 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 164 K C 2.192 178.464 176.600 -0.545 0.000 1.048 164 K CA 1.411 57.085 56.287 -1.022 0.000 0.928 164 K CB -0.505 31.220 32.500 -1.292 0.000 0.713 164 K HN 0.306 nan 8.250 nan 0.000 0.442 165 A N 0.982 123.656 122.820 -0.243 0.000 2.019 165 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 165 A C 2.028 179.645 177.584 0.056 0.000 1.164 165 A CA 1.518 53.564 52.037 0.014 0.000 0.644 165 A CB -0.448 18.703 19.000 0.252 0.000 0.805 165 A HN 0.392 nan 8.150 nan 0.000 0.449 166 M N -1.083 118.509 119.600 -0.014 0.000 2.374 166 M HA -0.051 4.429 4.480 -0.000 0.000 0.264 166 M C 0.083 176.255 176.300 -0.213 0.000 1.067 166 M CA 0.480 55.716 55.300 -0.106 0.000 1.103 166 M CB -0.312 32.296 32.600 0.013 0.000 1.402 166 M HN 0.393 nan 8.290 nan 0.000 0.444 167 N N 1.853 120.299 118.700 -0.423 0.000 2.714 167 N HA -0.153 4.587 4.740 -0.000 0.000 0.253 167 N C -1.197 174.106 175.510 -0.346 0.000 1.024 167 N CA 0.760 53.471 53.050 -0.565 0.000 0.726 167 N CB -1.083 36.647 38.487 -1.262 0.000 0.908 167 N HN 0.376 nan 8.380 nan 0.000 0.542 168 I N 1.268 121.667 120.570 -0.285 0.000 2.377 168 I HA 0.384 4.554 4.170 -0.000 0.000 0.293 168 I C -1.720 174.368 176.117 -0.048 0.000 0.987 168 I CA -1.710 59.543 61.300 -0.077 0.000 1.185 168 I CB 1.945 39.986 38.000 0.069 0.000 1.341 168 I HN -0.056 nan 8.210 nan 0.000 0.455 169 P HA 0.162 nan 4.420 nan 0.000 0.281 169 P C -1.385 175.928 177.300 0.021 0.000 1.264 169 P CA -0.657 62.448 63.100 0.008 0.000 0.824 169 P CB 1.144 32.835 31.700 -0.015 0.000 1.092 170 Q N 0.841 120.626 119.800 -0.025 0.000 2.259 170 Q HA 0.506 4.846 4.340 -0.000 0.000 0.246 170 Q C -0.295 175.610 176.000 -0.158 0.000 0.920 170 Q CA -0.648 55.034 55.803 -0.201 0.000 0.895 170 Q CB 0.516 29.137 28.738 -0.195 0.000 1.220 170 Q HN 0.474 nan 8.270 nan 0.000 0.439 171 I N -1.102 119.352 120.570 -0.193 0.000 3.002 171 I HA 0.597 4.767 4.170 -0.000 0.000 0.310 171 I C -0.498 175.546 176.117 -0.122 0.000 1.087 171 I CA -1.417 59.811 61.300 -0.121 0.000 1.017 171 I CB 1.857 39.800 38.000 -0.094 0.000 1.226 171 I HN 0.587 nan 8.210 nan 0.000 0.443 172 R N 2.205 122.638 120.500 -0.111 0.000 2.734 172 R HA 0.081 4.421 4.340 -0.000 0.000 0.266 172 R C 0.171 176.358 176.300 -0.189 0.000 1.044 172 R CA -0.280 55.747 56.100 -0.121 0.000 1.128 172 R CB 0.362 30.594 30.300 -0.112 0.000 1.010 172 R HN 0.770 nan 8.270 nan 0.000 0.461 173 N N 2.945 121.512 118.700 -0.222 0.000 2.411 173 N HA -0.030 4.710 4.740 -0.000 0.000 0.265 173 N C -1.946 173.327 175.510 -0.394 0.000 1.266 173 N CA -1.173 51.623 53.050 -0.423 0.000 0.889 173 N CB 1.191 39.509 38.487 -0.281 0.000 1.069 173 N HN 0.417 nan 8.380 nan 0.000 0.476 174 P HA -0.029 nan 4.420 nan 0.000 0.219 174 P C 1.260 178.421 177.300 -0.232 0.000 1.150 174 P CA 0.636 63.557 63.100 -0.300 0.000 0.814 174 P CB 0.197 31.730 31.700 -0.279 0.000 0.787 175 C N -1.042 118.100 119.300 -0.264 0.000 2.511 175 C HA 0.134 4.594 4.460 -0.000 0.000 0.277 175 C C 0.940 175.844 174.990 -0.144 0.000 1.451 175 C CA -0.268 58.653 59.018 -0.162 0.000 1.735 175 C CB -2.142 25.522 27.740 -0.126 0.000 1.704 175 C HN 0.016 nan 8.230 nan 0.000 0.571 176 L N 1.676 122.793 121.223 -0.177 0.000 2.357 176 L HA 0.410 4.750 4.340 -0.000 0.000 0.273 176 L C -1.798 174.977 176.870 -0.159 0.000 1.080 176 L CA -1.662 53.072 54.840 -0.177 0.000 0.803 176 L CB 0.836 42.770 42.059 -0.208 0.000 1.174 176 L HN -0.012 nan 8.230 nan 0.000 0.443 177 P HA 0.032 nan 4.420 nan 0.000 0.271 177 P C -0.723 176.496 177.300 -0.135 0.000 1.233 177 P CA -0.399 62.621 63.100 -0.134 0.000 0.789 177 P CB 0.469 32.085 31.700 -0.139 0.000 0.951 178 S N 0.529 116.167 115.700 -0.103 0.000 2.573 178 S HA -0.028 4.442 4.470 -0.000 0.000 0.277 178 S C 1.220 175.759 174.600 -0.101 0.000 1.346 178 S CA -0.222 57.923 58.200 -0.092 0.000 1.034 178 S CB 0.232 63.391 63.200 -0.068 0.000 0.879 178 S HN 0.441 nan 8.310 nan 0.000 0.528 179 Q N 1.128 120.873 119.800 -0.092 0.000 2.133 179 Q HA -0.215 4.125 4.340 -0.000 0.000 0.208 179 Q C 2.232 178.189 176.000 -0.072 0.000 0.991 179 Q CA 2.003 57.754 55.803 -0.087 0.000 0.867 179 Q CB -0.260 28.439 28.738 -0.064 0.000 0.911 179 Q HN 0.962 nan 8.270 nan 0.000 0.417 180 E N 0.708 120.874 120.200 -0.056 0.000 2.347 180 E HA -0.151 4.199 4.350 -0.000 0.000 0.196 180 E C 0.953 177.526 176.600 -0.045 0.000 1.008 180 E CA 0.942 57.317 56.400 -0.042 0.000 0.852 180 E CB -0.054 29.627 29.700 -0.032 0.000 0.783 180 E HN 0.294 nan 8.360 nan 0.000 0.505 181 K N 0.041 120.405 120.400 -0.060 0.000 2.404 181 K HA 0.181 4.501 4.320 -0.000 0.000 0.194 181 K C 0.437 176.992 176.600 -0.075 0.000 1.023 181 K CA -0.239 56.013 56.287 -0.058 0.000 1.094 181 K CB 0.238 32.702 32.500 -0.060 0.000 0.841 181 K HN 0.073 nan 8.250 nan 0.000 0.523 182 M N 1.774 121.314 119.600 -0.100 0.000 2.238 182 M HA 0.165 4.645 4.480 -0.000 0.000 0.347 182 M C -2.162 174.118 176.300 -0.033 0.000 1.173 182 M CA -2.444 52.773 55.300 -0.139 0.000 1.147 182 M CB -0.364 32.108 32.600 -0.213 0.000 1.547 182 M HN -0.186 nan 8.290 nan 0.000 0.455 183 P HA -0.009 nan 4.420 nan 0.000 0.268 183 P C 0.727 178.061 177.300 0.057 0.000 1.208 183 P CA -0.000 63.151 63.100 0.086 0.000 0.777 183 P CB 0.464 32.260 31.700 0.159 0.000 0.875 184 E N 2.141 122.337 120.200 -0.006 0.000 2.130 184 E HA -0.296 4.054 4.350 -0.000 0.000 0.196 184 E C 1.674 178.098 176.600 -0.294 0.000 0.998 184 E CA 1.531 57.900 56.400 -0.052 0.000 0.806 184 E CB -0.389 29.340 29.700 0.047 0.000 0.738 184 E HN 0.484 nan 8.360 nan 0.000 0.459 185 A N 0.224 122.687 122.820 -0.593 0.000 1.986 185 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 185 A C 1.690 178.833 177.584 -0.735 0.000 1.171 185 A CA 1.538 52.804 52.037 -1.285 0.000 0.640 185 A CB -0.962 17.448 19.000 -0.984 0.000 0.811 185 A HN 0.502 nan 8.150 nan 0.000 0.451 186 Y N 0.771 120.845 120.300 -0.376 0.000 2.632 186 Y HA -0.054 4.496 4.550 -0.000 0.000 0.301 186 Y C 2.462 178.298 175.900 -0.106 0.000 1.172 186 Y CA 0.994 58.870 58.100 -0.374 0.000 1.328 186 Y CB -0.066 38.109 38.460 -0.476 0.000 1.016 186 Y HN 0.452 nan 8.280 nan 0.000 0.529 187 S N -1.020 114.679 115.700 -0.002 0.000 2.556 187 S HA 0.406 4.876 4.470 -0.000 0.000 0.216 187 S C 0.962 175.604 174.600 0.069 0.000 0.970 187 S CA -0.242 57.986 58.200 0.047 0.000 0.912 187 S CB -0.293 62.920 63.200 0.022 0.000 0.790 187 S HN 0.199 nan 8.310 nan 0.000 0.504 188 A N 2.230 125.090 122.820 0.067 0.000 2.546 188 A HA 0.243 4.563 4.320 -0.000 0.000 0.243 188 A C 0.275 177.943 177.584 0.140 0.000 1.063 188 A CA -0.100 52.020 52.037 0.138 0.000 0.757 188 A CB -0.097 19.007 19.000 0.174 0.000 0.991 188 A HN 0.542 nan 8.150 nan 0.000 0.503 189 K N 2.043 122.492 120.400 0.082 0.000 2.412 189 K HA 0.309 4.629 4.320 -0.000 0.000 0.284 189 K C -0.728 176.016 176.600 0.240 0.000 1.046 189 K CA 0.688 56.994 56.287 0.032 0.000 0.999 189 K CB 0.304 32.601 32.500 -0.338 0.000 0.941 189 K HN 0.595 nan 8.250 nan 0.000 0.474 190 I N 2.297 123.052 120.570 0.309 0.000 2.474 190 I HA 0.398 4.568 4.170 -0.000 0.000 0.294 190 I C -0.341 176.038 176.117 0.437 0.000 1.005 190 I CA -0.812 60.695 61.300 0.344 0.000 1.113 190 I CB 1.998 40.083 38.000 0.142 0.000 1.289 190 I HN 0.582 nan 8.210 nan 0.000 0.436 191 A N 6.950 130.020 122.820 0.416 0.000 2.365 191 A HA 0.932 5.252 4.320 -0.000 0.000 0.318 191 A C -1.215 176.527 177.584 0.264 0.000 1.091 191 A CA -0.433 51.798 52.037 0.323 0.000 0.763 191 A CB 1.229 20.296 19.000 0.112 0.000 1.248 191 A HN 0.569 nan 8.150 nan 0.000 0.442 192 L N 2.135 123.513 121.223 0.257 0.000 2.408 192 L HA 0.519 4.859 4.340 -0.000 0.000 0.268 192 L C -0.892 176.133 176.870 0.258 0.000 0.986 192 L CA -0.336 54.664 54.840 0.267 0.000 0.820 192 L CB 1.969 44.168 42.059 0.234 0.000 1.303 192 L HN 0.474 nan 8.230 nan 0.000 0.411 193 L N 2.790 124.134 121.223 0.201 0.000 2.287 193 L HA 0.800 5.140 4.340 -0.000 0.000 0.287 193 L C 0.438 177.380 176.870 0.120 0.000 1.022 193 L CA -0.209 54.719 54.840 0.148 0.000 0.814 193 L CB 0.612 42.703 42.059 0.053 0.000 1.217 193 L HN 0.777 nan 8.230 nan 0.000 0.420 194 G N 3.002 111.870 108.800 0.113 0.000 3.209 194 G HA2 0.086 4.046 3.960 -0.000 0.000 0.686 194 G HA3 0.086 4.046 3.960 -0.000 0.000 0.686 194 G C -0.144 174.816 174.900 0.100 0.000 1.065 194 G CA -0.334 44.818 45.100 0.087 0.000 0.812 194 G HN 0.977 nan 8.290 nan 0.000 0.573 195 A N 1.907 124.770 122.820 0.072 0.000 3.282 195 A HA 0.779 5.099 4.320 -0.000 0.000 0.287 195 A C 1.246 178.882 177.584 0.087 0.000 1.366 195 A CA 1.067 53.147 52.037 0.070 0.000 1.069 195 A CB -0.243 18.784 19.000 0.045 0.000 1.109 195 A HN 2.101 nan 8.150 nan 0.000 0.638 196 G N -0.294 108.566 108.800 0.101 0.000 2.753 196 G HA2 0.512 4.472 3.960 -0.000 0.000 0.285 196 G HA3 0.512 4.472 3.960 -0.000 0.000 0.285 196 G C -1.659 173.295 174.900 0.090 0.000 1.344 196 G CA -1.462 43.698 45.100 0.100 0.000 1.050 196 G HN 0.091 nan 8.290 nan 0.000 0.532 197 P HA -0.166 nan 4.420 nan 0.000 0.216 197 P C 2.135 179.481 177.300 0.076 0.000 1.157 197 P CA 2.495 65.631 63.100 0.060 0.000 0.880 197 P CB 0.129 31.860 31.700 0.051 0.000 0.791 198 A N -0.845 122.051 122.820 0.127 0.000 1.865 198 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 198 A C 2.392 180.046 177.584 0.117 0.000 1.191 198 A CA 2.503 54.654 52.037 0.191 0.000 0.623 198 A CB -1.566 17.645 19.000 0.352 0.000 0.826 198 A HN 0.140 nan 8.150 nan 0.000 0.444 199 S N -0.337 115.489 115.700 0.209 0.000 2.383 199 S HA -0.056 4.414 4.470 -0.000 0.000 0.227 199 S C 1.804 176.398 174.600 -0.010 0.000 1.026 199 S CA 1.297 59.560 58.200 0.104 0.000 0.981 199 S CB -0.491 62.843 63.200 0.223 0.000 0.818 199 S HN 0.507 nan 8.310 nan 0.000 0.472 200 I N 1.055 121.638 120.570 0.022 0.000 2.208 200 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 200 I C 2.689 178.792 176.117 -0.023 0.000 1.097 200 I CA 1.191 62.490 61.300 -0.003 0.000 1.363 200 I CB -0.396 37.607 38.000 0.005 0.000 1.051 200 I HN 0.301 nan 8.210 nan 0.000 0.413 201 S N -0.174 115.523 115.700 -0.004 0.000 2.355 201 S HA -0.251 4.219 4.470 -0.000 0.000 0.222 201 S C 2.323 176.982 174.600 0.099 0.000 1.031 201 S CA 1.687 59.923 58.200 0.060 0.000 0.993 201 S CB -0.584 62.685 63.200 0.114 0.000 0.859 201 S HN 0.620 nan 8.310 nan 0.000 0.453 202 C N 1.605 120.842 119.300 -0.104 0.000 2.413 202 C HA 0.064 4.524 4.460 -0.000 0.000 0.276 202 C C 3.017 177.948 174.990 -0.100 0.000 1.236 202 C CA 1.255 60.134 59.018 -0.232 0.000 1.735 202 C CB -1.776 25.452 27.740 -0.852 0.000 2.031 202 C HN 0.687 nan 8.230 nan 0.000 0.474 203 A N -0.198 122.562 122.820 -0.100 0.000 1.933 203 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 203 A C 2.358 179.934 177.584 -0.014 0.000 1.175 203 A CA 2.340 54.353 52.037 -0.040 0.000 0.628 203 A CB -0.963 18.020 19.000 -0.027 0.000 0.814 203 A HN 0.653 nan 8.150 nan 0.000 0.444 204 S N -0.721 114.951 115.700 -0.046 0.000 2.353 204 S HA -0.129 4.341 4.470 -0.000 0.000 0.222 204 S C 1.613 176.132 174.600 -0.135 0.000 1.035 204 S CA 1.645 59.773 58.200 -0.120 0.000 1.025 204 S CB -0.550 62.510 63.200 -0.234 0.000 0.902 204 S HN 0.547 nan 8.310 nan 0.000 0.440 205 F N 1.557 121.516 119.950 0.015 0.000 2.171 205 F HA 0.019 4.546 4.527 -0.000 0.000 0.300 205 F C 2.018 177.851 175.800 0.056 0.000 1.090 205 F CA 0.680 58.704 58.000 0.039 0.000 1.293 205 F CB -0.583 38.431 39.000 0.024 0.000 1.013 205 F HN 0.118 nan 8.300 nan 0.000 0.486 206 L N -0.692 120.645 121.223 0.191 0.000 2.046 206 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 206 L C 2.701 179.731 176.870 0.266 0.000 1.077 206 L CA 1.125 56.074 54.840 0.181 0.000 0.747 206 L CB -1.011 41.055 42.059 0.011 0.000 0.896 206 L HN 0.135 nan 8.230 nan 0.000 0.432 207 A N 0.138 123.046 122.820 0.147 0.000 1.933 207 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 207 A C 2.373 180.001 177.584 0.074 0.000 1.175 207 A CA 1.357 53.459 52.037 0.109 0.000 0.628 207 A CB -0.445 18.580 19.000 0.041 0.000 0.814 207 A HN 0.321 nan 8.150 nan 0.000 0.444 208 R N -0.596 119.944 120.500 0.067 0.000 2.096 208 R HA -0.029 4.311 4.340 -0.000 0.000 0.235 208 R C 1.782 178.115 176.300 0.054 0.000 1.127 208 R CA 1.321 57.455 56.100 0.058 0.000 0.968 208 R CB -0.500 29.856 30.300 0.094 0.000 0.861 208 R HN 0.490 nan 8.270 nan 0.000 0.440 209 L N -0.582 120.702 121.223 0.103 0.000 2.456 209 L HA -0.014 4.326 4.340 -0.000 0.000 0.224 209 L C 1.334 178.144 176.870 -0.100 0.000 1.148 209 L CA 0.948 55.810 54.840 0.037 0.000 0.825 209 L CB -0.014 42.089 42.059 0.073 0.000 0.937 209 L HN 0.574 nan 8.230 nan 0.000 0.450 210 G N -2.240 106.513 108.800 -0.078 0.000 2.192 210 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.193 210 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.193 210 G C -0.040 174.783 174.900 -0.129 0.000 0.999 210 G CA -0.671 44.287 45.100 -0.237 0.000 0.659 210 G HN 0.156 nan 8.290 nan 0.000 0.503 211 Y N 1.997 122.403 120.300 0.177 0.000 2.544 211 Y HA 0.340 4.890 4.550 0.000 0.000 0.330 211 Y C 1.832 177.778 175.900 0.077 0.000 1.136 211 Y CA 0.851 59.051 58.100 0.168 0.000 1.417 211 Y CB 1.253 39.785 38.460 0.120 0.000 1.229 211 Y HN 0.264 nan 8.280 nan 0.000 0.532 212 S N -0.554 115.248 115.700 0.170 0.000 2.540 212 S HA 0.081 4.551 4.470 -0.000 0.000 0.218 212 S C 0.034 174.690 174.600 0.093 0.000 0.977 212 S CA -0.181 58.074 58.200 0.093 0.000 0.918 212 S CB 0.249 63.474 63.200 0.042 0.000 0.806 212 S HN 0.656 nan 8.310 nan 0.000 0.496 213 D N 1.446 121.924 120.400 0.130 0.000 2.443 213 D HA 0.421 5.061 4.640 -0.000 0.000 0.281 213 D C -1.183 175.194 176.300 0.128 0.000 1.210 213 D CA -0.297 53.765 54.000 0.104 0.000 0.875 213 D CB 0.243 41.093 40.800 0.084 0.000 1.125 213 D HN 0.345 nan 8.370 nan 0.000 0.503 214 I N 1.392 122.024 120.570 0.103 0.000 2.406 214 I HA 0.328 4.498 4.170 -0.000 0.000 0.290 214 I C -0.080 176.062 176.117 0.041 0.000 0.999 214 I CA -0.438 60.919 61.300 0.094 0.000 1.124 214 I CB 2.229 40.272 38.000 0.073 0.000 1.289 214 I HN -0.058 nan 8.210 nan 0.000 0.441 215 T N 6.724 121.296 114.554 0.030 0.000 2.848 215 T HA 0.588 4.938 4.350 -0.000 0.000 0.285 215 T C -0.263 174.272 174.700 -0.275 0.000 0.995 215 T CA -0.391 61.605 62.100 -0.175 0.000 0.970 215 T CB 1.567 70.252 68.868 -0.305 0.000 0.976 215 T HN 0.262 nan 8.240 nan 0.000 0.441 216 I N 3.279 123.672 120.570 -0.295 0.000 2.339 216 I HA 0.405 4.575 4.170 -0.000 0.000 0.290 216 I C -0.866 175.066 176.117 -0.309 0.000 0.994 216 I CA -0.739 60.457 61.300 -0.174 0.000 1.191 216 I CB 0.911 38.880 38.000 -0.051 0.000 1.343 216 I HN 0.531 nan 8.210 nan 0.000 0.458 217 F N 4.611 124.574 119.950 0.022 0.000 2.385 217 F HA 0.346 4.873 4.527 -0.000 0.000 0.360 217 F C 0.441 176.237 175.800 -0.006 0.000 1.122 217 F CA -0.620 57.381 58.000 0.002 0.000 1.090 217 F CB 0.994 39.982 39.000 -0.020 0.000 1.150 217 F HN 0.389 nan 8.300 nan 0.000 0.472 218 E N 3.354 123.620 120.200 0.111 0.000 2.171 218 E HA 0.234 4.584 4.350 -0.000 0.000 0.271 218 E C 0.705 177.307 176.600 0.003 0.000 0.916 218 E CA -0.586 55.834 56.400 0.034 0.000 0.774 218 E CB 1.534 31.221 29.700 -0.022 0.000 1.128 218 E HN 0.532 nan 8.360 nan 0.000 0.403 219 K N 3.015 123.400 120.400 -0.025 0.000 2.026 219 K HA -0.079 4.241 4.320 -0.000 0.000 0.208 219 K C 0.383 176.916 176.600 -0.111 0.000 1.048 219 K CA 0.993 57.252 56.287 -0.046 0.000 0.929 219 K CB 0.160 32.638 32.500 -0.037 0.000 0.713 219 K HN 0.548 nan 8.250 nan 0.000 0.439 220 Q N 0.510 120.166 119.800 -0.240 0.000 2.308 220 Q HA 0.025 4.365 4.340 -0.000 0.000 0.207 220 Q C 0.749 176.552 176.000 -0.328 0.000 1.035 220 Q CA 0.359 55.922 55.803 -0.401 0.000 1.008 220 Q CB 0.690 28.822 28.738 -1.009 0.000 1.168 220 Q HN 0.290 nan 8.270 nan 0.000 0.565 221 E N -0.042 119.987 120.200 -0.284 0.000 2.474 221 E HA 0.010 4.360 4.350 -0.000 0.000 0.194 221 E C -0.312 176.259 176.600 -0.049 0.000 1.041 221 E CA 0.107 56.443 56.400 -0.107 0.000 0.874 221 E CB 0.201 29.890 29.700 -0.019 0.000 0.914 221 E HN 0.413 nan 8.360 nan 0.000 0.498 222 Y N -0.741 119.562 120.300 0.004 0.000 2.549 222 Y HA 0.570 5.120 4.550 -0.000 0.000 0.339 222 Y C -0.125 175.804 175.900 0.048 0.000 1.053 222 Y CA -1.907 56.202 58.100 0.015 0.000 1.105 222 Y CB 0.542 38.984 38.460 -0.030 0.000 1.258 222 Y HN -0.250 nan 8.280 nan 0.000 0.478 223 V N -1.678 118.425 119.914 0.315 0.000 3.103 223 V HA 0.969 5.089 4.120 -0.000 0.000 0.318 223 V C 0.522 176.795 176.094 0.298 0.000 1.114 223 V CA -0.452 61.981 62.300 0.221 0.000 1.020 223 V CB 0.936 32.836 31.823 0.129 0.000 1.085 223 V HN 1.762 nan 8.190 nan 0.000 0.446 224 G N -0.657 108.261 108.800 0.197 0.000 2.231 224 G HA2 0.262 4.222 3.960 -0.000 0.000 0.206 224 G HA3 0.262 4.222 3.960 -0.000 0.000 0.206 224 G C 1.548 176.544 174.900 0.160 0.000 0.996 224 G CA 0.538 45.737 45.100 0.166 0.000 0.645 224 G HN 2.850 nan 8.290 nan 0.000 0.498 225 G N 0.082 109.007 108.800 0.208 0.000 2.566 225 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.280 225 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.280 225 G C 1.145 176.141 174.900 0.160 0.000 1.225 225 G CA 0.631 45.840 45.100 0.182 0.000 0.966 225 G HN 1.202 nan 8.290 nan 0.000 0.560 226 L N 0.699 121.984 121.223 0.103 0.000 2.131 226 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 226 L C 3.198 180.089 176.870 0.034 0.000 1.092 226 L CA 1.915 56.792 54.840 0.061 0.000 0.759 226 L CB -0.604 41.486 42.059 0.051 0.000 0.903 226 L HN 0.550 nan 8.230 nan 0.000 0.435 227 S N -0.933 114.797 115.700 0.049 0.000 2.400 227 S HA -0.173 4.297 4.470 -0.000 0.000 0.232 227 S C 1.941 176.565 174.600 0.041 0.000 1.025 227 S CA 1.856 60.078 58.200 0.036 0.000 0.993 227 S CB -0.205 63.021 63.200 0.044 0.000 0.808 227 S HN 0.482 nan 8.310 nan 0.000 0.478 228 T N 1.335 115.925 114.554 0.060 0.000 2.988 228 T HA 0.017 4.367 4.350 -0.000 0.000 0.240 228 T C 2.315 176.910 174.700 -0.176 0.000 1.014 228 T CA 1.098 63.217 62.100 0.031 0.000 1.155 228 T CB -0.284 68.655 68.868 0.118 0.000 0.872 228 T HN 0.587 nan 8.240 nan 0.000 0.440 229 S N 1.126 116.707 115.700 -0.199 0.000 2.461 229 S HA 0.084 4.554 4.470 -0.000 0.000 0.228 229 S C 1.573 176.071 174.600 -0.171 0.000 1.005 229 S CA 0.762 58.792 58.200 -0.283 0.000 0.942 229 S CB -0.094 63.019 63.200 -0.146 0.000 0.776 229 S HN 0.535 nan 8.310 nan 0.000 0.514 230 E N -0.056 120.082 120.200 -0.103 0.000 2.571 230 E HA 0.351 4.701 4.350 -0.000 0.000 0.204 230 E C -0.166 176.374 176.600 -0.099 0.000 0.851 230 E CA -0.252 56.094 56.400 -0.091 0.000 1.358 230 E CB 0.327 30.006 29.700 -0.035 0.000 1.327 230 E HN 0.403 nan 8.360 nan 0.000 0.665 231 I N 4.821 125.344 120.570 -0.078 0.000 2.668 231 I HA 0.011 4.181 4.170 -0.000 0.000 0.285 231 I C -2.268 173.737 176.117 -0.186 0.000 1.168 231 I CA -1.565 59.677 61.300 -0.098 0.000 1.424 231 I CB -0.009 37.958 38.000 -0.056 0.000 1.377 231 I HN -0.187 nan 8.210 nan 0.000 0.560 232 P HA -0.059 nan 4.420 nan 0.000 0.267 232 P C 0.218 177.225 177.300 -0.489 0.000 1.200 232 P CA -0.090 62.650 63.100 -0.600 0.000 0.772 232 P CB 0.577 31.437 31.700 -1.400 0.000 0.855 233 Q N 3.001 122.619 119.800 -0.303 0.000 2.234 233 Q HA -0.171 4.169 4.340 -0.000 0.000 0.206 233 Q C 1.196 177.220 176.000 0.040 0.000 0.980 233 Q CA 1.895 57.652 55.803 -0.077 0.000 0.869 233 Q CB -0.888 27.829 28.738 -0.035 0.000 0.912 233 Q HN 0.582 nan 8.270 nan 0.000 0.436 234 F N -2.056 118.024 119.950 0.216 0.000 2.802 234 F HA 0.293 4.820 4.527 -0.000 0.000 0.300 234 F C 1.431 177.293 175.800 0.102 0.000 1.168 234 F CA 0.125 58.217 58.000 0.153 0.000 1.433 234 F CB -0.055 39.013 39.000 0.115 0.000 1.115 234 F HN -0.040 nan 8.300 nan 0.000 0.582 235 R N -0.306 120.217 120.500 0.038 0.000 2.320 235 R HA 0.359 4.699 4.340 -0.000 0.000 0.193 235 R C -0.622 175.696 176.300 0.031 0.000 0.885 235 R CA -0.105 56.036 56.100 0.070 0.000 1.085 235 R CB 0.379 30.688 30.300 0.014 0.000 1.253 235 R HN 0.205 nan 8.270 nan 0.000 0.636 236 L N 2.456 123.669 121.223 -0.018 0.000 2.442 236 L HA 0.488 4.828 4.340 -0.000 0.000 0.261 236 L C -2.892 173.986 176.870 0.014 0.000 1.000 236 L CA -2.302 52.539 54.840 0.003 0.000 0.882 236 L CB 1.622 43.676 42.059 -0.008 0.000 1.207 236 L HN -0.193 nan 8.230 nan 0.000 0.443 237 P HA 0.006 nan 4.420 nan 0.000 0.265 237 P C -0.058 177.276 177.300 0.057 0.000 1.193 237 P CA 0.177 63.308 63.100 0.052 0.000 0.765 237 P CB 0.308 32.035 31.700 0.045 0.000 0.823 238 Y N 4.447 124.729 120.300 -0.031 0.000 2.256 238 Y HA -0.269 4.281 4.550 0.000 0.000 0.288 238 Y C 1.858 177.764 175.900 0.009 0.000 1.155 238 Y CA 2.171 60.255 58.100 -0.027 0.000 1.203 238 Y CB -0.512 37.914 38.460 -0.056 0.000 0.980 238 Y HN 0.404 nan 8.280 nan 0.000 0.530 239 D N -0.910 119.432 120.400 -0.097 0.000 2.263 239 D HA -0.155 4.485 4.640 -0.000 0.000 0.208 239 D C 2.001 178.231 176.300 -0.117 0.000 0.971 239 D CA 1.342 55.258 54.000 -0.139 0.000 0.867 239 D CB -0.847 39.934 40.800 -0.032 0.000 0.929 239 D HN 0.350 nan 8.370 nan 0.000 0.492 240 V N 0.614 120.485 119.914 -0.072 0.000 2.307 240 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 240 V C 2.913 179.027 176.094 0.032 0.000 1.045 240 V CA 1.233 63.556 62.300 0.038 0.000 1.024 240 V CB -0.306 31.542 31.823 0.042 0.000 0.651 240 V HN 0.121 nan 8.190 nan 0.000 0.449 241 V N 0.870 120.706 119.914 -0.131 0.000 2.343 241 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 241 V C 2.368 178.338 176.094 -0.207 0.000 1.051 241 V CA 2.428 64.633 62.300 -0.159 0.000 1.036 241 V CB -0.958 30.748 31.823 -0.194 0.000 0.654 241 V HN 0.694 nan 8.190 nan 0.000 0.451 242 N N -0.122 118.345 118.700 -0.388 0.000 2.120 242 N HA -0.228 4.512 4.740 -0.000 0.000 0.188 242 N C 2.039 177.508 175.510 -0.067 0.000 1.024 242 N CA 1.834 54.732 53.050 -0.254 0.000 0.852 242 N CB -0.172 38.130 38.487 -0.308 0.000 1.003 242 N HN 0.475 nan 8.380 nan 0.000 0.424 243 F N 2.193 122.051 119.950 -0.153 0.000 2.095 243 F HA -0.118 4.409 4.527 -0.000 0.000 0.298 243 F C 2.087 177.860 175.800 -0.045 0.000 1.104 243 F CA 1.600 59.538 58.000 -0.103 0.000 1.232 243 F CB -0.531 38.410 39.000 -0.097 0.000 0.987 243 F HN 0.087 nan 8.300 nan 0.000 0.475 244 E N 0.127 120.129 120.200 -0.329 0.000 2.150 244 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 244 E C 2.351 178.827 176.600 -0.206 0.000 0.985 244 E CA 1.073 57.262 56.400 -0.352 0.000 0.814 244 E CB -0.107 29.534 29.700 -0.098 0.000 0.752 244 E HN 0.388 nan 8.360 nan 0.000 0.466 245 I N 1.518 122.008 120.570 -0.133 0.000 2.252 245 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 245 I C 2.196 178.263 176.117 -0.084 0.000 1.102 245 I CA 1.209 62.461 61.300 -0.079 0.000 1.385 245 I CB -0.831 37.144 38.000 -0.042 0.000 1.064 245 I HN 0.085 nan 8.210 nan 0.000 0.414 246 E N 0.803 120.942 120.200 -0.100 0.000 2.106 246 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 246 E C 2.433 178.973 176.600 -0.099 0.000 0.984 246 E CA 0.755 57.107 56.400 -0.079 0.000 0.806 246 E CB -0.255 29.412 29.700 -0.055 0.000 0.750 246 E HN 0.470 nan 8.360 nan 0.000 0.458 247 L N 0.342 121.459 121.223 -0.176 0.000 2.046 247 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 247 L C 2.687 179.527 176.870 -0.049 0.000 1.077 247 L CA 1.065 55.831 54.840 -0.124 0.000 0.747 247 L CB -0.335 41.600 42.059 -0.206 0.000 0.896 247 L HN 0.189 nan 8.230 nan 0.000 0.432 248 M N -0.112 119.451 119.600 -0.061 0.000 2.132 248 M HA -0.230 4.250 4.480 -0.000 0.000 0.263 248 M C 2.130 178.409 176.300 -0.035 0.000 1.065 248 M CA 1.765 57.041 55.300 -0.040 0.000 1.122 248 M CB -0.039 32.534 32.600 -0.046 0.000 1.365 248 M HN 0.055 nan 8.290 nan 0.000 0.411 249 K N 0.142 120.519 120.400 -0.038 0.000 2.280 249 K HA -0.142 4.178 4.320 -0.000 0.000 0.202 249 K C 1.231 177.814 176.600 -0.028 0.000 1.047 249 K CA 1.162 57.432 56.287 -0.029 0.000 0.942 249 K CB -0.188 32.296 32.500 -0.026 0.000 0.739 249 K HN 0.422 nan 8.250 nan 0.000 0.457 250 D N 0.927 121.306 120.400 -0.034 0.000 2.263 250 D HA -0.114 4.526 4.640 -0.000 0.000 0.208 250 D C 1.396 177.674 176.300 -0.036 0.000 0.971 250 D CA 0.946 54.925 54.000 -0.035 0.000 0.867 250 D CB 0.098 40.874 40.800 -0.041 0.000 0.929 250 D HN 0.210 nan 8.370 nan 0.000 0.492 251 L N -0.812 120.391 121.223 -0.033 0.000 2.591 251 L HA 0.201 4.541 4.340 -0.000 0.000 0.228 251 L C 1.510 178.371 176.870 -0.015 0.000 1.133 251 L CA 0.303 55.126 54.840 -0.029 0.000 0.880 251 L CB 0.087 42.130 42.059 -0.027 0.000 1.033 251 L HN 0.089 nan 8.230 nan 0.000 0.450 252 G N -0.238 108.554 108.800 -0.014 0.000 2.175 252 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.244 252 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.244 252 G C 0.301 175.201 174.900 0.000 0.000 0.982 252 G CA -0.055 45.042 45.100 -0.005 0.000 0.641 252 G HN 0.075 nan 8.290 nan 0.000 0.527 253 V N 1.320 121.232 119.914 -0.004 0.000 2.599 253 V HA 0.304 4.424 4.120 -0.000 0.000 0.300 253 V C 0.856 176.937 176.094 -0.021 0.000 1.034 253 V CA 0.564 62.860 62.300 -0.007 0.000 1.115 253 V CB 1.131 32.947 31.823 -0.013 0.000 0.934 253 V HN 0.366 nan 8.190 nan 0.000 0.485 254 K N 5.258 125.637 120.400 -0.034 0.000 2.138 254 K HA 0.707 5.027 4.320 -0.000 0.000 0.263 254 K C -0.892 175.648 176.600 -0.101 0.000 0.965 254 K CA -0.485 55.768 56.287 -0.056 0.000 0.868 254 K CB 1.864 34.331 32.500 -0.055 0.000 1.083 254 K HN 0.505 nan 8.250 nan 0.000 0.443 255 I N 3.846 124.363 120.570 -0.089 0.000 2.466 255 I HA 0.368 4.537 4.170 -0.000 0.000 0.289 255 I C -0.703 175.354 176.117 -0.100 0.000 1.026 255 I CA -0.714 60.523 61.300 -0.105 0.000 1.078 255 I CB 1.577 39.548 38.000 -0.048 0.000 1.249 255 I HN 0.408 nan 8.210 nan 0.000 0.429 256 I N 5.390 125.873 120.570 -0.145 0.000 2.382 256 I HA 0.340 4.510 4.170 -0.000 0.000 0.285 256 I C -0.240 175.882 176.117 0.009 0.000 1.007 256 I CA -0.368 60.896 61.300 -0.059 0.000 1.142 256 I CB 1.467 39.435 38.000 -0.053 0.000 1.289 256 I HN 0.557 nan 8.210 nan 0.000 0.453 257 C N 3.648 122.955 119.300 0.011 0.000 2.422 257 C HA 0.609 5.069 4.460 -0.000 0.000 0.364 257 C C 1.530 176.532 174.990 0.021 0.000 1.251 257 C CA 0.551 59.571 59.018 0.003 0.000 2.441 257 C CB 0.710 28.436 27.740 -0.022 0.000 2.393 257 C HN 1.101 nan 8.230 nan 0.000 0.606 258 G N 1.435 110.233 108.800 -0.002 0.000 2.143 258 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.248 258 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.248 258 G C -0.314 174.607 174.900 0.034 0.000 0.991 258 G CA -0.004 45.100 45.100 0.006 0.000 0.689 258 G HN 0.605 nan 8.290 nan 0.000 0.522 259 K N 0.862 121.302 120.400 0.066 0.000 2.358 259 K HA 0.648 4.968 4.320 -0.000 0.000 0.260 259 K C -0.429 176.203 176.600 0.053 0.000 0.956 259 K CA -0.377 55.963 56.287 0.088 0.000 0.834 259 K CB 1.820 34.465 32.500 0.242 0.000 1.102 259 K HN 0.134 nan 8.250 nan 0.000 0.431 260 S N 1.877 117.579 115.700 0.003 0.000 2.537 260 S HA 0.378 4.848 4.470 -0.000 0.000 0.301 260 S C -0.569 174.007 174.600 -0.040 0.000 1.092 260 S CA -0.816 57.379 58.200 -0.009 0.000 1.048 260 S CB 1.376 64.570 63.200 -0.010 0.000 1.053 260 S HN 0.477 nan 8.310 nan 0.000 0.501 261 L N 3.340 124.544 121.223 -0.031 0.000 2.342 261 L HA 0.666 5.006 4.340 -0.000 0.000 0.285 261 L C -0.162 176.691 176.870 -0.028 0.000 1.095 261 L CA 0.842 55.654 54.840 -0.047 0.000 0.843 261 L CB -0.120 41.919 42.059 -0.035 0.000 1.201 261 L HN 0.609 nan 8.230 nan 0.000 0.445 262 S N 2.781 118.461 115.700 -0.033 0.000 2.565 262 S HA 0.335 4.805 4.470 -0.000 0.000 0.274 262 S C -1.232 173.355 174.600 -0.021 0.000 1.144 262 S CA -0.800 57.388 58.200 -0.019 0.000 0.849 262 S CB 0.996 64.187 63.200 -0.014 0.000 1.103 262 S HN 0.697 nan 8.310 nan 0.000 0.455 263 E N 2.363 122.554 120.200 -0.015 0.000 2.452 263 E HA 0.254 4.604 4.350 -0.000 0.000 0.261 263 E C 0.587 177.178 176.600 -0.014 0.000 0.987 263 E CA 1.366 57.758 56.400 -0.013 0.000 0.926 263 E CB -0.006 29.687 29.700 -0.012 0.000 0.934 263 E HN 0.599 nan 8.360 nan 0.000 0.452 264 N N 2.127 120.819 118.700 -0.013 0.000 2.980 264 N HA -0.176 4.564 4.740 -0.000 0.000 0.219 264 N C -0.226 175.273 175.510 -0.017 0.000 0.883 264 N CA 1.608 54.651 53.050 -0.012 0.000 1.018 264 N CB -0.809 37.673 38.487 -0.009 0.000 1.041 264 N HN 0.662 nan 8.380 nan 0.000 0.592 265 E N 0.073 120.257 120.200 -0.027 0.000 4.266 265 E HA 0.463 4.813 4.350 -0.000 0.000 0.262 265 E C 0.063 176.622 176.600 -0.068 0.000 0.941 265 E CA -0.734 55.642 56.400 -0.041 0.000 1.317 265 E CB 0.718 30.395 29.700 -0.037 0.000 2.138 265 E HN -0.021 nan 8.360 nan 0.000 0.463 266 I N 2.317 122.825 120.570 -0.104 0.000 2.395 266 I HA 0.173 4.343 4.170 -0.000 0.000 0.289 266 I C 0.114 176.169 176.117 -0.104 0.000 1.023 266 I CA -0.065 61.139 61.300 -0.161 0.000 1.350 266 I CB 1.071 38.892 38.000 -0.299 0.000 1.409 266 I HN 0.442 nan 8.210 nan 0.000 0.507 267 T N 2.722 117.232 114.554 -0.074 0.000 2.887 267 T HA 0.470 4.820 4.350 -0.000 0.000 0.292 267 T C 0.870 175.582 174.700 0.019 0.000 1.087 267 T CA -0.892 61.194 62.100 -0.024 0.000 1.009 267 T CB 1.439 70.308 68.868 0.003 0.000 1.203 267 T HN 0.406 nan 8.240 nan 0.000 0.518 268 L N 0.809 122.068 121.223 0.060 0.000 2.131 268 L HA -0.084 4.256 4.340 -0.000 0.000 0.210 268 L C 2.528 179.589 176.870 0.319 0.000 1.092 268 L CA 1.124 56.079 54.840 0.191 0.000 0.759 268 L CB -0.610 41.514 42.059 0.108 0.000 0.903 268 L HN 0.658 nan 8.230 nan 0.000 0.435 269 N N -0.361 118.446 118.700 0.178 0.000 2.142 269 N HA -0.142 4.598 4.740 -0.000 0.000 0.186 269 N C 1.999 177.564 175.510 0.091 0.000 1.023 269 N CA 2.023 55.154 53.050 0.135 0.000 0.852 269 N CB -0.486 38.051 38.487 0.083 0.000 0.998 269 N HN 0.448 nan 8.380 nan 0.000 0.424 270 T N -0.479 114.113 114.554 0.062 0.000 2.821 270 T HA 0.015 4.365 4.350 -0.000 0.000 0.267 270 T C 2.209 176.950 174.700 0.069 0.000 1.046 270 T CA 0.607 62.730 62.100 0.039 0.000 1.139 270 T CB -0.528 68.337 68.868 -0.005 0.000 0.871 270 T HN 0.060 nan 8.240 nan 0.000 0.454 271 L N 0.719 121.991 121.223 0.082 0.000 2.017 271 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 271 L C 3.030 180.045 176.870 0.241 0.000 1.073 271 L CA 1.790 56.713 54.840 0.138 0.000 0.745 271 L CB -0.527 41.595 42.059 0.105 0.000 0.894 271 L HN 0.280 nan 8.230 nan 0.000 0.432 272 K N 0.064 120.522 120.400 0.098 0.000 2.057 272 K HA -0.239 4.081 4.320 -0.000 0.000 0.207 272 K C 2.179 178.738 176.600 -0.069 0.000 1.049 272 K CA 1.394 57.564 56.287 -0.196 0.000 0.931 272 K CB -0.049 32.234 32.500 -0.363 0.000 0.714 272 K HN 0.151 nan 8.250 nan 0.000 0.440 273 E N 1.002 121.204 120.200 0.004 0.000 2.150 273 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 273 E C 0.944 177.567 176.600 0.038 0.000 0.985 273 E CA 1.174 57.580 56.400 0.010 0.000 0.814 273 E CB 0.158 29.872 29.700 0.022 0.000 0.752 273 E HN 0.436 nan 8.360 nan 0.000 0.466 274 E N -1.116 119.149 120.200 0.108 0.000 2.502 274 E HA 0.057 4.407 4.350 -0.000 0.000 0.194 274 E C 0.844 177.475 176.600 0.053 0.000 1.062 274 E CA 0.357 56.838 56.400 0.134 0.000 0.867 274 E CB 0.258 30.130 29.700 0.287 0.000 0.888 274 E HN 0.430 nan 8.360 nan 0.000 0.510 275 G N 0.766 109.583 108.800 0.028 0.000 2.175 275 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.244 275 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.244 275 G C -0.202 174.654 174.900 -0.072 0.000 0.982 275 G CA -0.358 44.709 45.100 -0.055 0.000 0.641 275 G HN 0.230 nan 8.290 nan 0.000 0.527 276 Y N 0.933 121.262 120.300 0.048 0.000 2.511 276 Y HA 0.387 4.937 4.550 -0.000 0.000 0.332 276 Y C 1.764 177.723 175.900 0.098 0.000 1.177 276 Y CA 0.289 58.468 58.100 0.132 0.000 1.422 276 Y CB 0.809 39.409 38.460 0.233 0.000 1.271 276 Y HN -0.076 nan 8.280 nan 0.000 0.550 277 K N 1.928 122.507 120.400 0.299 0.000 2.356 277 K HA 0.387 4.707 4.320 -0.000 0.000 0.195 277 K C 0.083 177.010 176.600 0.546 0.000 1.037 277 K CA 0.494 56.963 56.287 0.303 0.000 1.014 277 K CB 0.389 33.061 32.500 0.285 0.000 0.815 277 K HN 0.597 nan 8.250 nan 0.000 0.507 278 A N 0.266 123.448 122.820 0.603 0.000 2.604 278 A HA 0.751 5.071 4.320 -0.000 0.000 0.295 278 A C -1.680 176.206 177.584 0.504 0.000 1.067 278 A CA -0.420 51.991 52.037 0.623 0.000 0.683 278 A CB 1.652 20.892 19.000 0.399 0.000 1.281 278 A HN 0.047 nan 8.150 nan 0.000 0.407 279 A N 0.436 123.449 122.820 0.321 0.000 2.455 279 A HA 0.773 5.093 4.320 -0.000 0.000 0.300 279 A C -1.525 176.157 177.584 0.164 0.000 1.040 279 A CA -0.365 51.774 52.037 0.171 0.000 0.697 279 A CB 0.995 19.973 19.000 -0.036 0.000 1.265 279 A HN 1.783 nan 8.150 nan 0.000 0.407 280 F N 3.863 123.838 119.950 0.041 0.000 2.467 280 F HA 0.643 5.170 4.527 0.000 0.000 0.336 280 F C -0.827 174.981 175.800 0.014 0.000 1.123 280 F CA -1.171 56.854 58.000 0.042 0.000 0.964 280 F CB 1.085 40.108 39.000 0.037 0.000 1.136 280 F HN 0.375 nan 8.300 nan 0.000 0.447 281 I N 5.847 126.010 120.570 -0.677 0.000 2.301 281 I HA 0.312 4.482 4.170 -0.000 0.000 0.292 281 I C 0.772 176.476 176.117 -0.688 0.000 1.046 281 I CA -0.418 60.582 61.300 -0.501 0.000 1.282 281 I CB 0.427 38.199 38.000 -0.380 0.000 1.409 281 I HN 0.860 nan 8.210 nan 0.000 0.484 282 G N 6.374 115.012 108.800 -0.270 0.000 4.864 282 G HA2 0.315 4.275 3.960 -0.000 0.000 0.280 282 G HA3 0.315 4.275 3.960 -0.000 0.000 0.280 282 G C 0.793 175.708 174.900 0.024 0.000 1.239 282 G CA -0.189 44.877 45.100 -0.057 0.000 0.951 282 G HN 0.702 nan 8.290 nan 0.000 0.583 283 I N -2.019 118.537 120.570 -0.024 0.000 3.684 283 I HA 0.411 4.581 4.170 -0.000 0.000 0.304 283 I C 1.221 177.351 176.117 0.022 0.000 1.278 283 I CA 0.288 61.595 61.300 0.011 0.000 1.272 283 I CB -0.215 37.785 38.000 0.001 0.000 1.029 283 I HN 0.296 nan 8.210 nan 0.000 0.458 284 G N 2.751 111.560 108.800 0.015 0.000 2.578 284 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.275 284 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.275 284 G C -0.350 174.568 174.900 0.030 0.000 1.271 284 G CA 0.194 45.311 45.100 0.028 0.000 0.941 284 G HN 0.380 nan 8.290 nan 0.000 0.564 285 L N 1.407 122.657 121.223 0.044 0.000 2.387 285 L HA 0.329 4.669 4.340 -0.000 0.000 0.259 285 L C -1.583 175.324 176.870 0.060 0.000 1.050 285 L CA -1.603 53.269 54.840 0.054 0.000 0.922 285 L CB 2.067 44.162 42.059 0.060 0.000 1.280 285 L HN 0.303 nan 8.230 nan 0.000 0.449 286 P HA -0.105 nan 4.420 nan 0.000 0.219 286 P C -0.117 177.221 177.300 0.062 0.000 1.146 286 P CA 1.190 64.325 63.100 0.058 0.000 0.808 286 P CB 0.375 32.103 31.700 0.048 0.000 0.779 287 E N -0.406 119.834 120.200 0.066 0.000 2.263 287 E HA 0.346 4.696 4.350 -0.000 0.000 0.264 287 E C -2.515 174.134 176.600 0.081 0.000 0.923 287 E CA -2.750 53.692 56.400 0.071 0.000 0.802 287 E CB 1.169 30.910 29.700 0.068 0.000 1.228 287 E HN 0.046 nan 8.360 nan 0.000 0.417 288 P HA 0.064 nan 4.420 nan 0.000 0.282 288 P C -1.067 176.309 177.300 0.127 0.000 1.249 288 P CA -0.428 62.731 63.100 0.098 0.000 0.806 288 P CB 0.866 32.617 31.700 0.084 0.000 0.984 289 K N 2.050 122.545 120.400 0.159 0.000 2.349 289 K HA 0.212 4.532 4.320 -0.000 0.000 0.288 289 K C 0.330 177.084 176.600 0.257 0.000 1.058 289 K CA -0.114 56.294 56.287 0.202 0.000 0.953 289 K CB 0.201 32.848 32.500 0.244 0.000 0.997 289 K HN 0.526 nan 8.250 nan 0.000 0.477 290 T N 0.315 115.008 114.554 0.231 0.000 2.923 290 T HA 0.332 4.681 4.350 -0.000 0.000 0.281 290 T C -0.525 174.353 174.700 0.296 0.000 0.995 290 T CA -0.925 61.335 62.100 0.265 0.000 0.985 290 T CB 1.572 70.549 68.868 0.182 0.000 1.114 290 T HN 0.529 nan 8.240 nan 0.000 0.548 291 D N -0.817 119.757 120.400 0.289 0.000 2.964 291 D HA 0.253 4.893 4.640 -0.000 0.000 0.234 291 D C 0.036 176.309 176.300 -0.046 0.000 1.223 291 D CA -0.448 53.631 54.000 0.132 0.000 0.889 291 D CB 2.286 43.183 40.800 0.162 0.000 1.609 291 D HN 0.434 nan 8.370 nan 0.000 0.523 292 D N 2.095 122.445 120.400 -0.084 0.000 2.158 292 D HA -0.154 4.486 4.640 -0.000 0.000 0.197 292 D C 1.903 178.084 176.300 -0.198 0.000 0.995 292 D CA 1.203 55.137 54.000 -0.110 0.000 0.846 292 D CB -0.116 40.629 40.800 -0.093 0.000 0.941 292 D HN 0.703 nan 8.370 nan 0.000 0.456 293 I N -2.906 117.451 120.570 -0.355 0.000 2.850 293 I HA -0.144 4.026 4.170 -0.000 0.000 0.266 293 I C 0.932 176.784 176.117 -0.442 0.000 1.257 293 I CA 1.011 62.048 61.300 -0.437 0.000 1.465 293 I CB -0.349 37.312 38.000 -0.564 0.000 1.091 293 I HN -0.224 nan 8.210 nan 0.000 0.467 294 F N 1.398 121.197 119.950 -0.251 0.000 2.695 294 F HA 0.301 4.828 4.527 -0.000 0.000 0.303 294 F C 1.349 176.887 175.800 -0.437 0.000 1.091 294 F CA -0.951 56.730 58.000 -0.531 0.000 1.300 294 F CB -0.897 37.609 39.000 -0.823 0.000 1.071 294 F HN 0.168 nan 8.300 nan 0.000 0.578 295 Q N 0.609 120.346 119.800 -0.104 0.000 2.283 295 Q HA 0.291 4.631 4.340 -0.000 0.000 0.301 295 Q C 1.429 177.378 176.000 -0.086 0.000 1.063 295 Q CA 1.259 57.016 55.803 -0.076 0.000 0.952 295 Q CB 0.348 29.051 28.738 -0.059 0.000 1.166 295 Q HN 0.625 nan 8.270 nan 0.000 0.381 296 G N 3.223 111.985 108.800 -0.063 0.000 2.234 296 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.260 296 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.260 296 G C 0.084 174.945 174.900 -0.065 0.000 0.987 296 G CA 0.251 45.319 45.100 -0.053 0.000 0.625 296 G HN 0.580 nan 8.290 nan 0.000 0.532 297 L N 2.074 123.223 121.223 -0.124 0.000 2.453 297 L HA 0.496 4.836 4.340 -0.000 0.000 0.272 297 L C 1.367 178.231 176.870 -0.012 0.000 1.182 297 L CA 0.553 55.323 54.840 -0.116 0.000 0.858 297 L CB 0.854 42.731 42.059 -0.304 0.000 1.120 297 L HN 0.468 nan 8.230 nan 0.000 0.474 298 T N -1.245 113.307 114.554 -0.002 0.000 2.949 298 T HA 0.263 4.613 4.350 -0.000 0.000 0.287 298 T C 0.564 175.204 174.700 -0.099 0.000 1.034 298 T CA -0.799 61.288 62.100 -0.021 0.000 1.018 298 T CB 1.639 70.487 68.868 -0.035 0.000 1.135 298 T HN 0.590 nan 8.240 nan 0.000 0.532 299 Q N -0.127 119.543 119.800 -0.217 0.000 2.170 299 Q HA -0.112 4.228 4.340 -0.000 0.000 0.203 299 Q C 1.486 177.332 176.000 -0.256 0.000 0.976 299 Q CA 1.542 57.056 55.803 -0.483 0.000 0.858 299 Q CB -0.085 28.368 28.738 -0.475 0.000 0.907 299 Q HN 0.661 nan 8.270 nan 0.000 0.433 300 D N 0.504 120.834 120.400 -0.116 0.000 2.178 300 D HA -0.147 4.493 4.640 -0.000 0.000 0.201 300 D C 1.536 177.817 176.300 -0.031 0.000 0.980 300 D CA 1.106 55.078 54.000 -0.047 0.000 0.842 300 D CB 0.025 40.811 40.800 -0.024 0.000 0.948 300 D HN 0.361 nan 8.370 nan 0.000 0.472 301 Q N -0.810 118.967 119.800 -0.039 0.000 2.378 301 Q HA 0.161 4.501 4.340 -0.000 0.000 0.205 301 Q C 1.140 177.139 176.000 -0.002 0.000 0.954 301 Q CA 0.765 56.560 55.803 -0.013 0.000 0.901 301 Q CB 0.664 29.396 28.738 -0.009 0.000 0.981 301 Q HN 0.316 nan 8.270 nan 0.000 0.483 302 G N 0.444 109.221 108.800 -0.037 0.000 2.159 302 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.170 302 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.170 302 G C -0.518 174.378 174.900 -0.007 0.000 1.007 302 G CA -0.508 44.594 45.100 0.004 0.000 0.672 302 G HN 0.277 nan 8.290 nan 0.000 0.507 303 F N 1.616 121.405 119.950 -0.269 0.000 2.421 303 F HA 0.817 5.344 4.527 -0.000 0.000 0.337 303 F C -0.479 175.065 175.800 -0.426 0.000 1.105 303 F CA -1.343 56.489 58.000 -0.279 0.000 1.049 303 F CB 0.949 39.791 39.000 -0.264 0.000 1.139 303 F HN 0.049 nan 8.300 nan 0.000 0.479 304 Y N 1.647 121.143 120.300 -1.340 0.000 2.562 304 Y HA 0.455 5.005 4.550 0.000 0.000 0.345 304 Y C 0.030 175.207 175.900 -1.205 0.000 1.045 304 Y CA -1.108 56.432 58.100 -0.933 0.000 1.028 304 Y CB 1.960 40.152 38.460 -0.446 0.000 1.297 304 Y HN 0.671 nan 8.280 nan 0.000 0.463 305 T N -2.844 111.438 114.554 -0.452 0.000 2.944 305 T HA 0.300 4.650 4.350 -0.000 0.000 0.284 305 T C 1.089 175.715 174.700 -0.124 0.000 1.010 305 T CA -0.099 61.816 62.100 -0.309 0.000 1.025 305 T CB 1.461 70.281 68.868 -0.079 0.000 1.079 305 T HN 0.744 nan 8.240 nan 0.000 0.516 306 S N 0.709 116.356 115.700 -0.089 0.000 2.400 306 S HA -0.135 4.335 4.470 -0.000 0.000 0.232 306 S C 1.718 176.343 174.600 0.043 0.000 1.025 306 S CA 0.486 58.690 58.200 0.007 0.000 0.993 306 S CB -0.556 62.651 63.200 0.011 0.000 0.808 306 S HN 0.651 nan 8.310 nan 0.000 0.478 307 K N 1.089 121.508 120.400 0.033 0.000 2.362 307 K HA 0.006 4.326 4.320 -0.000 0.000 0.200 307 K C 1.040 177.674 176.600 0.057 0.000 1.046 307 K CA 1.055 57.370 56.287 0.046 0.000 0.952 307 K CB -0.310 32.223 32.500 0.054 0.000 0.753 307 K HN 0.522 nan 8.250 nan 0.000 0.466 308 D N -0.494 119.955 120.400 0.082 0.000 2.269 308 D HA -0.058 4.582 4.640 -0.000 0.000 0.220 308 D C 1.662 178.071 176.300 0.181 0.000 0.962 308 D CA 0.434 54.516 54.000 0.136 0.000 0.884 308 D CB -0.310 40.593 40.800 0.171 0.000 1.023 308 D HN 0.027 nan 8.370 nan 0.000 0.484 309 F N 1.854 121.800 119.950 -0.007 0.000 2.060 309 F HA -0.030 4.497 4.527 -0.000 0.000 0.295 309 F C 2.155 177.875 175.800 -0.133 0.000 1.120 309 F CA 1.102 58.998 58.000 -0.174 0.000 1.205 309 F CB -0.518 38.255 39.000 -0.377 0.000 0.986 309 F HN -0.170 nan 8.300 nan 0.000 0.470 310 L N 0.231 121.320 121.223 -0.224 0.000 2.042 310 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 310 L C -0.485 176.210 176.870 -0.293 0.000 1.076 310 L CA 1.564 56.211 54.840 -0.322 0.000 0.749 310 L CB -2.109 39.881 42.059 -0.114 0.000 0.893 310 L HN 0.143 nan 8.230 nan 0.000 0.432 311 P HA -0.150 nan 4.420 nan 0.000 0.218 311 P C 1.903 179.079 177.300 -0.207 0.000 1.149 311 P CA 1.202 64.193 63.100 -0.181 0.000 0.817 311 P CB 0.113 31.762 31.700 -0.085 0.000 0.785 312 L N -1.313 119.788 121.223 -0.203 0.000 2.056 312 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 312 L C 2.262 178.983 176.870 -0.248 0.000 1.078 312 L CA 1.365 56.098 54.840 -0.178 0.000 0.749 312 L CB -1.012 40.980 42.059 -0.111 0.000 0.901 312 L HN -0.120 nan 8.230 nan 0.000 0.433 313 V N -0.058 119.622 119.914 -0.390 0.000 2.358 313 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 313 V C 2.732 178.660 176.094 -0.277 0.000 1.047 313 V CA 1.672 63.781 62.300 -0.318 0.000 1.035 313 V CB -0.927 30.653 31.823 -0.405 0.000 0.658 313 V HN 0.461 nan 8.190 nan 0.000 0.452 314 A N 0.083 122.725 122.820 -0.297 0.000 1.877 314 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 314 A C 2.289 179.674 177.584 -0.332 0.000 1.186 314 A CA 2.007 53.858 52.037 -0.311 0.000 0.620 314 A CB -0.466 18.350 19.000 -0.305 0.000 0.822 314 A HN 0.537 nan 8.150 nan 0.000 0.443 315 K N -0.466 119.754 120.400 -0.299 0.000 2.147 315 K HA -0.097 4.223 4.320 -0.000 0.000 0.205 315 K C 2.277 178.733 176.600 -0.240 0.000 1.049 315 K CA 1.357 57.480 56.287 -0.272 0.000 0.936 315 K CB -0.152 32.227 32.500 -0.201 0.000 0.722 315 K HN 0.446 nan 8.250 nan 0.000 0.446 316 S N 0.280 115.844 115.700 -0.225 0.000 2.446 316 S HA -0.045 4.425 4.470 -0.000 0.000 0.225 316 S C 1.773 176.205 174.600 -0.280 0.000 1.016 316 S CA 1.149 59.235 58.200 -0.189 0.000 0.943 316 S CB 0.086 63.212 63.200 -0.123 0.000 0.786 316 S HN 0.373 nan 8.310 nan 0.000 0.508 317 S N -0.200 115.228 115.700 -0.453 0.000 2.511 317 S HA 0.346 4.816 4.470 -0.000 0.000 0.214 317 S C 0.271 174.593 174.600 -0.464 0.000 0.997 317 S CA -0.441 57.331 58.200 -0.713 0.000 0.908 317 S CB -0.050 62.188 63.200 -1.604 0.000 0.803 317 S HN 0.293 nan 8.310 nan 0.000 0.504 318 K N 2.568 122.754 120.400 -0.357 0.000 2.354 318 K HA 0.593 4.913 4.320 -0.000 0.000 0.257 318 K C -0.646 175.792 176.600 -0.270 0.000 1.062 318 K CA -0.305 55.813 56.287 -0.281 0.000 0.971 318 K CB 1.338 33.631 32.500 -0.346 0.000 1.305 318 K HN 0.324 nan 8.250 nan 0.000 0.449 319 A N 1.682 124.422 122.820 -0.133 0.000 2.492 319 A HA 0.458 4.778 4.320 -0.000 0.000 0.254 319 A C 1.277 178.836 177.584 -0.042 0.000 1.091 319 A CA 0.907 52.904 52.037 -0.065 0.000 0.768 319 A CB -0.227 18.789 19.000 0.026 0.000 1.028 319 A HN 0.960 nan 8.150 nan 0.000 0.498 320 G N 1.776 110.526 108.800 -0.084 0.000 2.259 320 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.217 320 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.217 320 G C 1.089 175.830 174.900 -0.265 0.000 1.001 320 G CA 0.796 45.893 45.100 -0.005 0.000 0.627 320 G HN 0.978 nan 8.290 nan 0.000 0.501 321 M N 0.436 119.591 119.600 -0.742 0.000 2.139 321 M HA 0.163 4.643 4.480 -0.000 0.000 0.260 321 M C 1.793 177.911 176.300 -0.304 0.000 1.078 321 M CA 2.152 56.940 55.300 -0.853 0.000 1.106 321 M CB -0.300 31.789 32.600 -0.852 0.000 1.275 321 M HN 0.621 nan 8.290 nan 0.000 0.425 322 C N 0.440 119.584 119.300 -0.260 0.000 2.358 322 C HA 0.706 5.166 4.460 -0.000 0.000 0.354 322 C C 1.599 176.491 174.990 -0.162 0.000 1.183 322 C CA -0.256 58.682 59.018 -0.133 0.000 2.150 322 C CB 1.109 28.773 27.740 -0.126 0.000 2.361 322 C HN 0.631 nan 8.230 nan 0.000 0.535 323 A N 1.887 124.631 122.820 -0.127 0.000 2.238 323 A HA 0.256 4.576 4.320 -0.000 0.000 0.208 323 A C 0.808 178.233 177.584 -0.264 0.000 1.177 323 A CA 0.305 52.236 52.037 -0.175 0.000 0.804 323 A CB -0.577 18.358 19.000 -0.109 0.000 0.823 323 A HN 0.868 nan 8.150 nan 0.000 0.482 324 C N -1.052 118.111 119.300 -0.229 0.000 2.325 324 C HA 0.605 5.065 4.460 -0.000 0.000 0.370 324 C C -0.101 174.687 174.990 -0.337 0.000 1.217 324 C CA -0.592 58.304 59.018 -0.203 0.000 2.254 324 C CB 0.257 27.950 27.740 -0.079 0.000 2.282 324 C HN 0.648 nan 8.230 nan 0.000 0.564 325 H N 0.149 119.171 119.070 -0.079 0.000 2.718 325 H HA 0.427 4.983 4.556 0.000 0.000 0.295 325 H C -0.149 175.155 175.328 -0.040 0.000 1.051 325 H CA 0.118 56.135 56.048 -0.053 0.000 1.260 325 H CB 0.649 30.392 29.762 -0.033 0.000 1.403 325 H HN 0.655 nan 8.280 nan 0.000 0.488 326 S N 3.023 118.739 115.700 0.025 0.000 2.451 326 S HA 0.545 5.015 4.470 -0.000 0.000 0.301 326 S C -2.714 171.895 174.600 0.015 0.000 1.116 326 S CA -1.764 56.444 58.200 0.013 0.000 1.093 326 S CB 1.908 65.094 63.200 -0.024 0.000 1.017 326 S HN 0.224 nan 8.310 nan 0.000 0.482 327 P HA 0.191 nan 4.420 nan 0.000 0.270 327 P C -0.491 176.828 177.300 0.031 0.000 1.223 327 P CA -0.602 62.520 63.100 0.037 0.000 0.785 327 P CB 0.338 32.063 31.700 0.043 0.000 0.923 328 L N 4.121 125.372 121.223 0.048 0.000 2.417 328 L HA 0.317 4.657 4.340 -0.000 0.000 0.268 328 L C -2.034 174.877 176.870 0.069 0.000 1.158 328 L CA -1.666 53.208 54.840 0.057 0.000 0.819 328 L CB -0.612 41.514 42.059 0.112 0.000 1.112 328 L HN 0.325 nan 8.230 nan 0.000 0.458 329 P HA 0.018 nan 4.420 nan 0.000 0.265 329 P C -0.981 176.395 177.300 0.126 0.000 1.193 329 P CA 0.069 63.239 63.100 0.117 0.000 0.765 329 P CB 0.493 32.276 31.700 0.137 0.000 0.823 330 S N 3.985 119.760 115.700 0.125 0.000 2.485 330 S HA 0.263 4.733 4.470 -0.000 0.000 0.312 330 S C -0.114 174.548 174.600 0.103 0.000 1.102 330 S CA -0.550 57.710 58.200 0.101 0.000 1.066 330 S CB -0.940 62.311 63.200 0.085 0.000 1.102 330 S HN 0.150 nan 8.310 nan 0.000 0.519 331 I N 6.716 127.335 120.570 0.083 0.000 2.330 331 I HA 0.469 4.639 4.170 -0.000 0.000 0.286 331 I C 0.159 176.297 176.117 0.034 0.000 1.025 331 I CA -0.451 60.877 61.300 0.048 0.000 1.197 331 I CB 0.647 38.653 38.000 0.010 0.000 1.358 331 I HN 0.443 nan 8.210 nan 0.000 0.467 332 R N 3.829 124.351 120.500 0.037 0.000 2.670 332 R HA 0.796 5.136 4.340 -0.000 0.000 0.289 332 R C 0.372 176.690 176.300 0.031 0.000 0.965 332 R CA -0.460 55.659 56.100 0.031 0.000 0.899 332 R CB 2.157 32.478 30.300 0.036 0.000 1.173 332 R HN 0.845 nan 8.270 nan 0.000 0.456 333 G N 0.937 109.755 108.800 0.029 0.000 2.512 333 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.210 333 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.210 333 G C -1.055 173.874 174.900 0.048 0.000 1.295 333 G CA -0.384 44.741 45.100 0.041 0.000 0.934 333 G HN 0.768 nan 8.290 nan 0.000 0.554 334 A N -0.863 122.008 122.820 0.086 0.000 2.328 334 A HA 0.701 5.021 4.320 -0.000 0.000 0.284 334 A C 0.165 177.819 177.584 0.117 0.000 1.160 334 A CA 0.229 52.353 52.037 0.146 0.000 0.818 334 A CB 1.099 20.265 19.000 0.277 0.000 1.087 334 A HN 1.808 nan 8.150 nan 0.000 0.504 335 V N 4.120 124.092 119.914 0.095 0.000 2.495 335 V HA 0.374 4.494 4.120 -0.000 0.000 0.298 335 V C -0.191 175.963 176.094 0.100 0.000 1.031 335 V CA -0.253 62.063 62.300 0.027 0.000 0.871 335 V CB 1.522 33.291 31.823 -0.090 0.000 0.988 335 V HN 0.752 nan 8.190 nan 0.000 0.432 336 I N 4.870 125.479 120.570 0.065 0.000 2.339 336 I HA 0.426 4.596 4.170 -0.000 0.000 0.290 336 I C -0.640 175.470 176.117 -0.012 0.000 0.994 336 I CA -0.649 60.709 61.300 0.097 0.000 1.191 336 I CB 1.889 39.976 38.000 0.144 0.000 1.343 336 I HN 0.273 nan 8.210 nan 0.000 0.458 337 V N 7.717 127.606 119.914 -0.041 0.000 2.370 337 V HA 0.392 4.512 4.120 -0.000 0.000 0.283 337 V C 0.035 176.110 176.094 -0.031 0.000 1.023 337 V CA -0.546 61.690 62.300 -0.107 0.000 0.857 337 V CB 1.667 33.386 31.823 -0.174 0.000 0.985 337 V HN 0.471 nan 8.190 nan 0.000 0.443 338 L N 5.186 126.423 121.223 0.022 0.000 2.272 338 L HA 0.926 5.266 4.340 -0.000 0.000 0.289 338 L C 0.657 177.708 176.870 0.301 0.000 1.032 338 L CA 0.008 54.987 54.840 0.231 0.000 0.810 338 L CB 1.217 43.526 42.059 0.417 0.000 1.205 338 L HN 0.911 nan 8.230 nan 0.000 0.422 339 G N 2.323 111.289 108.800 0.278 0.000 2.357 339 G HA2 0.290 4.250 3.960 -0.000 0.000 0.643 339 G HA3 0.290 4.250 3.960 -0.000 0.000 0.643 339 G C -0.711 174.227 174.900 0.063 0.000 1.358 339 G CA -0.189 45.046 45.100 0.224 0.000 0.986 339 G HN 0.779 nan 8.290 nan 0.000 0.620 340 A N -0.425 122.410 122.820 0.025 0.000 2.592 340 A HA 0.794 5.114 4.320 -0.000 0.000 0.290 340 A C 0.967 178.645 177.584 0.156 0.000 0.998 340 A CA 1.272 53.288 52.037 -0.036 0.000 0.983 340 A CB -0.022 18.867 19.000 -0.184 0.000 1.240 340 A HN 2.177 nan 8.150 nan 0.000 0.535 341 G N -0.927 107.955 108.800 0.137 0.000 2.568 341 G HA2 0.422 4.382 3.960 -0.000 0.000 0.293 341 G HA3 0.422 4.382 3.960 -0.000 0.000 0.293 341 G C 0.089 175.171 174.900 0.303 0.000 1.347 341 G CA -0.041 45.171 45.100 0.185 0.000 1.039 341 G HN 0.010 nan 8.290 nan 0.000 0.523 342 D N -0.482 120.049 120.400 0.219 0.000 2.133 342 D HA -0.108 4.532 4.640 -0.000 0.000 0.195 342 D C 2.676 179.109 176.300 0.221 0.000 0.997 342 D CA 1.886 56.020 54.000 0.223 0.000 0.840 342 D CB -0.371 40.499 40.800 0.116 0.000 0.947 342 D HN 0.316 nan 8.370 nan 0.000 0.452 343 T N 0.477 115.117 114.554 0.143 0.000 2.720 343 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 343 T C 2.010 176.752 174.700 0.070 0.000 1.037 343 T CA 1.635 63.795 62.100 0.100 0.000 1.144 343 T CB -0.430 68.484 68.868 0.076 0.000 0.864 343 T HN 0.225 nan 8.240 nan 0.000 0.444 344 A N 1.063 123.890 122.820 0.012 0.000 1.883 344 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 344 A C 1.985 179.429 177.584 -0.233 0.000 1.186 344 A CA 1.579 53.520 52.037 -0.161 0.000 0.624 344 A CB -1.076 17.739 19.000 -0.308 0.000 0.822 344 A HN 0.503 nan 8.150 nan 0.000 0.444 345 F N 0.319 120.292 119.950 0.039 0.000 2.234 345 F HA -0.111 4.416 4.527 0.000 0.000 0.299 345 F C 2.036 177.889 175.800 0.088 0.000 1.087 345 F CA 1.400 59.429 58.000 0.048 0.000 1.340 345 F CB -0.275 38.764 39.000 0.065 0.000 1.031 345 F HN 0.183 nan 8.300 nan 0.000 0.500 346 D N -0.706 119.840 120.400 0.244 0.000 2.224 346 D HA -0.106 4.534 4.640 -0.000 0.000 0.205 346 D C 2.298 178.726 176.300 0.213 0.000 0.965 346 D CA 0.899 55.031 54.000 0.221 0.000 0.852 346 D CB -0.488 40.391 40.800 0.132 0.000 0.947 346 D HN 0.257 nan 8.370 nan 0.000 0.494 347 C N 0.926 120.317 119.300 0.151 0.000 2.440 347 C HA 0.025 4.485 4.460 -0.000 0.000 0.278 347 C C 2.874 177.937 174.990 0.121 0.000 1.295 347 C CA 0.686 59.815 59.018 0.185 0.000 1.738 347 C CB -0.832 26.932 27.740 0.040 0.000 1.987 347 C HN 0.351 nan 8.230 nan 0.000 0.492 348 A N 1.363 124.199 122.820 0.027 0.000 1.858 348 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 348 A C 2.299 179.911 177.584 0.046 0.000 1.190 348 A CA 2.776 54.799 52.037 -0.023 0.000 0.617 348 A CB -1.294 17.651 19.000 -0.091 0.000 0.827 348 A HN 0.661 nan 8.150 nan 0.000 0.443 349 T N -2.703 111.927 114.554 0.126 0.000 2.821 349 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 349 T C 1.988 176.767 174.700 0.132 0.000 1.046 349 T CA 1.748 63.901 62.100 0.088 0.000 1.139 349 T CB -0.590 68.364 68.868 0.144 0.000 0.871 349 T HN 0.268 nan 8.240 nan 0.000 0.454 350 S N 1.804 117.712 115.700 0.348 0.000 2.402 350 S HA 0.161 4.631 4.470 -0.000 0.000 0.229 350 S C 2.589 177.373 174.600 0.307 0.000 1.021 350 S CA 0.787 59.215 58.200 0.380 0.000 0.974 350 S CB -0.717 62.678 63.200 0.326 0.000 0.800 350 S HN 0.753 nan 8.310 nan 0.000 0.484 351 A N 1.537 124.522 122.820 0.276 0.000 1.933 351 A HA 0.001 4.321 4.320 -0.000 0.000 0.218 351 A C 2.049 179.668 177.584 0.059 0.000 1.175 351 A CA 1.036 53.167 52.037 0.157 0.000 0.628 351 A CB -0.661 18.296 19.000 -0.071 0.000 0.814 351 A HN 0.463 nan 8.150 nan 0.000 0.444 352 L N -1.450 119.774 121.223 0.001 0.000 2.083 352 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 352 L C 2.717 179.541 176.870 -0.076 0.000 1.083 352 L CA 1.267 56.074 54.840 -0.055 0.000 0.752 352 L CB -0.373 41.626 42.059 -0.099 0.000 0.899 352 L HN 0.219 nan 8.230 nan 0.000 0.433 353 R N -0.783 119.654 120.500 -0.105 0.000 2.189 353 R HA -0.068 4.272 4.340 -0.000 0.000 0.223 353 R C 1.981 178.266 176.300 -0.025 0.000 1.092 353 R CA 0.909 56.896 56.100 -0.189 0.000 0.989 353 R CB -0.852 29.190 30.300 -0.430 0.000 0.876 353 R HN 0.338 nan 8.270 nan 0.000 0.457 354 C N -1.047 118.291 119.300 0.064 0.000 2.626 354 C HA 0.401 4.861 4.460 -0.000 0.000 0.266 354 C C 1.440 176.467 174.990 0.062 0.000 1.317 354 C CA 0.433 59.513 59.018 0.104 0.000 1.716 354 C CB -0.698 27.151 27.740 0.181 0.000 1.819 354 C HN 0.722 nan 8.230 nan 0.000 0.578 355 G N 0.257 109.072 108.800 0.025 0.000 2.163 355 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.213 355 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.213 355 G C 0.189 175.092 174.900 0.005 0.000 0.991 355 G CA 0.040 45.148 45.100 0.014 0.000 0.653 355 G HN 0.872 nan 8.290 nan 0.000 0.518 356 A N 0.457 123.275 122.820 -0.003 0.000 2.565 356 A HA 0.526 4.846 4.320 -0.000 0.000 0.237 356 A C 1.496 179.067 177.584 -0.022 0.000 1.053 356 A CA 1.300 53.326 52.037 -0.018 0.000 0.755 356 A CB 0.221 19.196 19.000 -0.042 0.000 0.980 356 A HN 0.508 nan 8.150 nan 0.000 0.506 357 R N 1.062 121.554 120.500 -0.013 0.000 2.093 357 R HA 0.048 4.388 4.340 -0.000 0.000 0.224 357 R C 0.635 176.913 176.300 -0.037 0.000 1.101 357 R CA 1.171 57.264 56.100 -0.011 0.000 0.979 357 R CB 0.099 30.404 30.300 0.008 0.000 0.877 357 R HN 0.818 nan 8.270 nan 0.000 0.441 358 R N -0.431 120.031 120.500 -0.063 0.000 2.643 358 R HA 0.336 4.676 4.340 -0.000 0.000 0.269 358 R C -1.946 174.217 176.300 -0.229 0.000 1.037 358 R CA -0.579 55.419 56.100 -0.170 0.000 0.894 358 R CB 2.337 32.522 30.300 -0.191 0.000 1.238 358 R HN -0.071 nan 8.270 nan 0.000 0.459 359 V N 4.050 123.745 119.914 -0.364 0.000 2.577 359 V HA 0.549 4.669 4.120 -0.000 0.000 0.303 359 V C -1.178 174.634 176.094 -0.470 0.000 1.042 359 V CA -0.624 61.496 62.300 -0.299 0.000 0.872 359 V CB 1.693 33.407 31.823 -0.182 0.000 0.998 359 V HN 0.555 nan 8.190 nan 0.000 0.423 360 F N 4.570 124.458 119.950 -0.104 0.000 2.444 360 F HA 0.610 5.137 4.527 -0.000 0.000 0.342 360 F C -0.028 175.639 175.800 -0.220 0.000 1.121 360 F CA -0.589 57.328 58.000 -0.138 0.000 0.997 360 F CB 1.587 40.526 39.000 -0.102 0.000 1.130 360 F HN 0.198 nan 8.300 nan 0.000 0.454 361 L N 4.774 125.884 121.223 -0.188 0.000 2.255 361 L HA 0.555 4.895 4.340 -0.000 0.000 0.289 361 L C -0.835 175.837 176.870 -0.330 0.000 1.046 361 L CA -0.679 53.976 54.840 -0.308 0.000 0.816 361 L CB 1.088 42.770 42.059 -0.627 0.000 1.197 361 L HN 0.330 nan 8.230 nan 0.000 0.427 362 V N 4.414 124.170 119.914 -0.262 0.000 2.384 362 V HA 0.493 4.613 4.120 -0.000 0.000 0.287 362 V C -0.354 175.578 176.094 -0.270 0.000 1.020 362 V CA -0.572 61.460 62.300 -0.447 0.000 0.850 362 V CB 1.106 32.736 31.823 -0.323 0.000 0.987 362 V HN 0.455 nan 8.190 nan 0.000 0.436 363 F N 2.299 122.190 119.950 -0.100 0.000 2.561 363 F HA 0.675 5.202 4.527 0.000 0.000 0.321 363 F C 1.070 176.787 175.800 -0.137 0.000 1.065 363 F CA -1.445 56.486 58.000 -0.115 0.000 0.934 363 F CB 1.474 40.369 39.000 -0.175 0.000 1.215 363 F HN 0.463 nan 8.300 nan 0.000 0.471 364 R N 0.238 120.753 120.500 0.025 0.000 2.299 364 R HA 0.293 4.633 4.340 -0.000 0.000 0.197 364 R C -0.227 175.948 176.300 -0.208 0.000 0.971 364 R CA 0.424 56.487 56.100 -0.061 0.000 1.030 364 R CB -0.051 30.186 30.300 -0.104 0.000 0.932 364 R HN 0.636 nan 8.270 nan 0.000 0.477 365 K N 0.102 120.310 120.400 -0.321 0.000 2.296 365 K HA 0.459 4.779 4.320 -0.000 0.000 0.243 365 K C 0.059 176.265 176.600 -0.658 0.000 1.082 365 K CA -0.689 55.212 56.287 -0.642 0.000 0.929 365 K CB 1.097 33.109 32.500 -0.813 0.000 1.353 365 K HN 0.100 nan 8.250 nan 0.000 0.536 366 G N -0.204 108.234 108.800 -0.604 0.000 2.535 366 G HA2 0.211 4.171 3.960 -0.000 0.000 0.303 366 G HA3 0.211 4.171 3.960 -0.000 0.000 0.303 366 G C 0.072 174.909 174.900 -0.105 0.000 1.237 366 G CA -0.343 44.446 45.100 -0.518 0.000 0.986 366 G HN 0.417 nan 8.290 nan 0.000 0.494 367 F N -0.379 119.580 119.950 0.015 0.000 2.126 367 F HA -0.132 4.395 4.527 -0.000 0.000 0.299 367 F C 2.929 178.693 175.800 -0.061 0.000 1.096 367 F CA 1.437 59.419 58.000 -0.030 0.000 1.255 367 F CB -0.144 38.903 39.000 0.078 0.000 0.997 367 F HN 0.092 nan 8.300 nan 0.000 0.479 368 V N -0.335 119.697 119.914 0.198 0.000 2.568 368 V HA -0.297 3.823 4.120 -0.000 0.000 0.253 368 V C 1.142 177.265 176.094 0.048 0.000 1.072 368 V CA 2.088 64.465 62.300 0.128 0.000 1.084 368 V CB -1.075 30.847 31.823 0.164 0.000 0.676 368 V HN 0.362 nan 8.190 nan 0.000 0.469 369 N N -0.413 118.284 118.700 -0.004 0.000 2.398 369 N HA 0.242 4.982 4.740 -0.000 0.000 0.188 369 N C 0.331 175.750 175.510 -0.153 0.000 1.122 369 N CA -0.013 53.006 53.050 -0.052 0.000 0.866 369 N CB -0.099 38.355 38.487 -0.055 0.000 0.970 369 N HN 0.427 nan 8.380 nan 0.000 0.462 370 I N 1.339 121.772 120.570 -0.228 0.000 2.775 370 I HA -0.124 4.046 4.170 -0.000 0.000 0.290 370 I C 1.423 177.481 176.117 -0.098 0.000 1.203 370 I CA 0.317 61.475 61.300 -0.236 0.000 1.433 370 I CB 0.746 38.590 38.000 -0.259 0.000 1.354 370 I HN 0.176 nan 8.210 nan 0.000 0.579 371 R N 4.380 124.855 120.500 -0.041 0.000 2.080 371 R HA 0.122 4.462 4.340 -0.000 0.000 0.222 371 R C 0.868 177.163 176.300 -0.007 0.000 1.107 371 R CA 0.563 56.657 56.100 -0.010 0.000 0.980 371 R CB -0.130 30.180 30.300 0.017 0.000 0.879 371 R HN 0.761 nan 8.270 nan 0.000 0.439 372 A N 1.662 124.490 122.820 0.014 0.000 2.466 372 A HA 0.239 4.559 4.320 -0.000 0.000 0.238 372 A C 0.676 178.176 177.584 -0.139 0.000 1.074 372 A CA -0.372 51.626 52.037 -0.064 0.000 0.774 372 A CB 0.170 19.081 19.000 -0.149 0.000 1.015 372 A HN 0.147 nan 8.150 nan 0.000 0.498 373 V N -0.211 119.632 119.914 -0.119 0.000 2.963 373 V HA 0.171 4.291 4.120 -0.000 0.000 0.306 373 V C -1.695 174.304 176.094 -0.160 0.000 1.077 373 V CA -0.870 61.364 62.300 -0.109 0.000 1.124 373 V CB -0.117 31.661 31.823 -0.075 0.000 0.987 373 V HN 0.742 nan 8.190 nan 0.000 0.487 374 P HA -0.143 nan 4.420 nan 0.000 0.217 374 P C 1.351 178.569 177.300 -0.136 0.000 1.151 374 P CA 1.654 64.682 63.100 -0.119 0.000 0.849 374 P CB 0.152 31.815 31.700 -0.061 0.000 0.787 375 E N -0.603 119.526 120.200 -0.118 0.000 2.110 375 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 375 E C 1.975 178.473 176.600 -0.170 0.000 0.988 375 E CA 1.179 57.499 56.400 -0.133 0.000 0.804 375 E CB -0.708 28.935 29.700 -0.095 0.000 0.745 375 E HN 0.361 nan 8.360 nan 0.000 0.458 376 E N 0.246 120.337 120.200 -0.183 0.000 2.072 376 E HA -0.097 4.253 4.350 -0.000 0.000 0.190 376 E C 1.849 178.258 176.600 -0.318 0.000 0.982 376 E CA 0.845 57.128 56.400 -0.195 0.000 0.803 376 E CB -0.073 29.513 29.700 -0.191 0.000 0.755 376 E HN 0.081 nan 8.360 nan 0.000 0.453 377 V N 1.072 120.680 119.914 -0.510 0.000 2.343 377 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 377 V C 2.401 178.443 176.094 -0.087 0.000 1.051 377 V CA 2.085 64.057 62.300 -0.546 0.000 1.036 377 V CB -0.736 30.827 31.823 -0.434 0.000 0.654 377 V HN 0.344 nan 8.190 nan 0.000 0.451 378 E N 0.670 120.809 120.200 -0.102 0.000 2.130 378 E HA -0.232 4.118 4.350 -0.000 0.000 0.196 378 E C 1.975 178.581 176.600 0.010 0.000 0.998 378 E CA 1.662 58.039 56.400 -0.038 0.000 0.806 378 E CB -0.471 29.169 29.700 -0.099 0.000 0.738 378 E HN 0.593 nan 8.360 nan 0.000 0.459 379 L N -0.365 120.843 121.223 -0.026 0.000 2.046 379 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 379 L C 2.536 179.479 176.870 0.122 0.000 1.077 379 L CA 1.240 56.100 54.840 0.034 0.000 0.747 379 L CB -0.622 41.460 42.059 0.038 0.000 0.896 379 L HN 0.238 nan 8.230 nan 0.000 0.432 380 A N -0.153 122.800 122.820 0.221 0.000 1.929 380 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 380 A C 2.397 180.182 177.584 0.335 0.000 1.176 380 A CA 1.565 53.779 52.037 0.296 0.000 0.628 380 A CB -0.340 18.952 19.000 0.488 0.000 0.816 380 A HN 0.297 nan 8.150 nan 0.000 0.444 381 K N 0.438 121.072 120.400 0.390 0.000 2.026 381 K HA -0.217 4.103 4.320 -0.000 0.000 0.208 381 K C 2.029 178.737 176.600 0.181 0.000 1.048 381 K CA 1.742 58.224 56.287 0.325 0.000 0.929 381 K CB -0.218 32.376 32.500 0.156 0.000 0.713 381 K HN 0.734 nan 8.250 nan 0.000 0.439 382 E N 0.186 120.464 120.200 0.130 0.000 2.268 382 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 382 E C 0.572 177.206 176.600 0.057 0.000 0.995 382 E CA 1.050 57.501 56.400 0.085 0.000 0.836 382 E CB 0.017 29.782 29.700 0.108 0.000 0.763 382 E HN 0.411 nan 8.360 nan 0.000 0.491 383 E N 0.865 121.107 120.200 0.069 0.000 2.403 383 E HA 0.036 4.386 4.350 -0.000 0.000 0.188 383 E C -0.439 176.184 176.600 0.037 0.000 1.056 383 E CA -0.204 56.211 56.400 0.025 0.000 0.892 383 E CB 0.337 30.031 29.700 -0.009 0.000 1.049 383 E HN 0.089 nan 8.360 nan 0.000 0.465 384 K N -0.609 119.839 120.400 0.079 0.000 3.129 384 K HA -0.160 4.160 4.320 -0.000 0.000 0.273 384 K C -0.483 176.169 176.600 0.086 0.000 1.123 384 K CA 0.319 56.662 56.287 0.094 0.000 0.800 384 K CB -3.206 29.329 32.500 0.059 0.000 1.238 384 K HN 0.253 nan 8.250 nan 0.000 0.492 385 C N 1.576 120.954 119.300 0.130 0.000 2.601 385 C HA 0.237 4.697 4.460 -0.000 0.000 0.409 385 C C 1.257 176.336 174.990 0.150 0.000 1.293 385 C CA -0.606 58.426 59.018 0.023 0.000 2.101 385 C CB 0.594 28.307 27.740 -0.045 0.000 2.639 385 C HN 0.201 nan 8.230 nan 0.000 0.592 386 E N 1.037 121.223 120.200 -0.023 0.000 2.266 386 E HA 0.441 4.791 4.350 -0.000 0.000 0.277 386 E C -1.110 175.633 176.600 0.237 0.000 1.018 386 E CA -0.139 56.375 56.400 0.191 0.000 0.840 386 E CB 0.883 30.623 29.700 0.066 0.000 1.082 386 E HN 0.421 nan 8.360 nan 0.000 0.395 387 F N 2.727 122.839 119.950 0.270 0.000 2.444 387 F HA 0.367 4.894 4.527 -0.000 0.000 0.342 387 F C 0.123 176.010 175.800 0.145 0.000 1.121 387 F CA -0.676 57.500 58.000 0.294 0.000 0.997 387 F CB 0.842 40.262 39.000 0.701 0.000 1.130 387 F HN 0.111 nan 8.300 nan 0.000 0.454 388 L N 6.389 127.508 121.223 -0.173 0.000 2.353 388 L HA 0.432 4.772 4.340 -0.000 0.000 0.270 388 L C -2.458 173.996 176.870 -0.693 0.000 1.003 388 L CA -1.856 52.825 54.840 -0.264 0.000 0.862 388 L CB 1.479 43.366 42.059 -0.287 0.000 1.221 388 L HN 0.315 nan 8.230 nan 0.000 0.430 389 P HA 0.254 nan 4.420 nan 0.000 0.278 389 P C -0.112 177.243 177.300 0.091 0.000 1.266 389 P CA -0.378 62.663 63.100 -0.099 0.000 0.807 389 P CB 0.713 32.682 31.700 0.448 0.000 1.094 390 F N -2.659 117.391 119.950 0.167 0.000 3.027 390 F HA -0.199 4.328 4.527 -0.000 0.000 0.276 390 F C -0.096 175.743 175.800 0.064 0.000 0.967 390 F CA 0.699 58.797 58.000 0.163 0.000 0.929 390 F CB -2.031 37.096 39.000 0.210 0.000 0.873 390 F HN 0.139 nan 8.300 nan 0.000 0.787 391 L N 0.029 121.299 121.223 0.080 0.000 2.409 391 L HA 0.567 4.907 4.340 -0.000 0.000 0.272 391 L C 0.012 176.980 176.870 0.163 0.000 0.980 391 L CA -0.683 54.185 54.840 0.047 0.000 0.826 391 L CB 2.262 44.146 42.059 -0.291 0.000 1.268 391 L HN 0.085 nan 8.230 nan 0.000 0.407 392 S N 3.889 119.749 115.700 0.266 0.000 2.449 392 S HA 0.616 5.086 4.470 -0.000 0.000 0.310 392 S C -2.589 172.185 174.600 0.290 0.000 1.096 392 S CA -1.506 56.835 58.200 0.235 0.000 1.095 392 S CB 1.546 64.816 63.200 0.116 0.000 1.007 392 S HN 0.213 nan 8.310 nan 0.000 0.474 393 P HA 0.296 nan 4.420 nan 0.000 0.268 393 P C 0.167 177.353 177.300 -0.189 0.000 1.204 393 P CA -0.206 62.790 63.100 -0.173 0.000 0.768 393 P CB 0.545 32.225 31.700 -0.033 0.000 0.842 394 R N 1.792 122.126 120.500 -0.276 0.000 2.428 394 R HA 0.273 4.613 4.340 -0.000 0.000 0.193 394 R C 0.052 176.224 176.300 -0.212 0.000 0.852 394 R CA 0.796 56.782 56.100 -0.189 0.000 1.055 394 R CB 0.441 30.676 30.300 -0.108 0.000 1.343 394 R HN 0.479 nan 8.270 nan 0.000 0.655 395 K N 0.327 120.582 120.400 -0.242 0.000 2.527 395 K HA 0.463 4.783 4.320 -0.000 0.000 0.260 395 K C -1.279 175.209 176.600 -0.187 0.000 0.937 395 K CA -0.644 55.530 56.287 -0.189 0.000 0.826 395 K CB 3.408 35.830 32.500 -0.130 0.000 1.359 395 K HN -0.271 nan 8.250 nan 0.000 0.434 396 V N 3.478 123.322 119.914 -0.116 0.000 2.417 396 V HA 0.362 4.482 4.120 -0.000 0.000 0.291 396 V C -0.357 175.697 176.094 -0.065 0.000 1.024 396 V CA -0.907 61.353 62.300 -0.068 0.000 0.861 396 V CB 1.313 33.148 31.823 0.020 0.000 0.985 396 V HN 0.588 nan 8.190 nan 0.000 0.436 397 I N 5.763 126.291 120.570 -0.070 0.000 2.315 397 I HA 0.405 4.575 4.170 -0.000 0.000 0.291 397 I C -0.045 176.062 176.117 -0.017 0.000 1.006 397 I CA -0.337 60.939 61.300 -0.040 0.000 1.265 397 I CB 1.417 39.397 38.000 -0.033 0.000 1.387 397 I HN 0.238 nan 8.210 nan 0.000 0.475 398 V N 7.618 127.526 119.914 -0.010 0.000 2.448 398 V HA 0.490 4.610 4.120 -0.000 0.000 0.295 398 V C 0.006 176.103 176.094 0.004 0.000 1.025 398 V CA -0.798 61.500 62.300 -0.003 0.000 0.859 398 V CB 2.079 33.896 31.823 -0.010 0.000 0.988 398 V HN 0.641 nan 8.190 nan 0.000 0.431 399 K N 2.449 122.855 120.400 0.010 0.000 2.482 399 K HA 0.592 4.912 4.320 -0.000 0.000 0.251 399 K C 0.537 177.144 176.600 0.012 0.000 0.936 399 K CA -0.338 55.957 56.287 0.013 0.000 0.791 399 K CB 2.075 34.587 32.500 0.020 0.000 1.213 399 K HN 0.996 nan 8.250 nan 0.000 0.428 400 G N 1.324 110.130 108.800 0.010 0.000 2.273 400 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.280 400 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.280 400 G C 0.729 175.634 174.900 0.008 0.000 1.047 400 G CA 0.847 45.952 45.100 0.009 0.000 0.869 400 G HN 1.202 nan 8.290 nan 0.000 0.502 401 G N -1.832 106.971 108.800 0.005 0.000 2.155 401 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.257 401 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.257 401 G C 0.281 175.184 174.900 0.005 0.000 0.983 401 G CA 1.213 46.315 45.100 0.003 0.000 0.676 401 G HN 1.235 nan 8.290 nan 0.000 0.528 402 R N -1.079 119.426 120.500 0.009 0.000 2.668 402 R HA 0.542 4.882 4.340 -0.000 0.000 0.272 402 R C 0.214 176.523 176.300 0.015 0.000 1.019 402 R CA -1.119 54.989 56.100 0.013 0.000 0.894 402 R CB 1.453 31.765 30.300 0.019 0.000 1.228 402 R HN 0.172 nan 8.270 nan 0.000 0.460 403 I N 2.412 122.993 120.570 0.018 0.000 2.710 403 I HA -0.079 4.091 4.170 -0.000 0.000 0.286 403 I C 1.422 177.552 176.117 0.021 0.000 1.181 403 I CA 0.316 61.627 61.300 0.018 0.000 1.430 403 I CB 0.781 38.799 38.000 0.029 0.000 1.367 403 I HN 0.549 nan 8.210 nan 0.000 0.577 404 V N 2.137 122.060 119.914 0.015 0.000 3.497 404 V HA 0.689 4.809 4.120 -0.000 0.000 0.272 404 V C 0.316 176.416 176.094 0.012 0.000 1.474 404 V CA 0.414 62.730 62.300 0.026 0.000 1.025 404 V CB 0.139 31.986 31.823 0.041 0.000 0.820 404 V HN 0.816 nan 8.190 nan 0.000 0.437 405 A N -0.508 122.287 122.820 -0.040 0.000 2.567 405 A HA 0.798 5.118 4.320 -0.000 0.000 0.291 405 A C -1.568 175.904 177.584 -0.186 0.000 1.048 405 A CA -0.197 51.755 52.037 -0.141 0.000 0.661 405 A CB 1.718 20.537 19.000 -0.302 0.000 1.288 405 A HN 0.667 nan 8.150 nan 0.000 0.424 406 V N 1.081 120.855 119.914 -0.233 0.000 2.638 406 V HA 0.558 4.678 4.120 -0.000 0.000 0.306 406 V C -0.260 175.602 176.094 -0.387 0.000 1.052 406 V CA -0.454 61.665 62.300 -0.302 0.000 0.885 406 V CB 1.747 33.387 31.823 -0.305 0.000 0.999 406 V HN 0.927 nan 8.190 nan 0.000 0.424 407 Q N 2.940 122.495 119.800 -0.408 0.000 2.271 407 Q HA 0.663 5.003 4.340 -0.000 0.000 0.258 407 Q C -1.835 173.969 176.000 -0.327 0.000 0.936 407 Q CA -0.337 55.331 55.803 -0.225 0.000 0.909 407 Q CB 1.360 30.030 28.738 -0.113 0.000 1.253 407 Q HN 0.613 nan 8.270 nan 0.000 0.440 408 F N 1.457 121.395 119.950 -0.020 0.000 2.618 408 F HA 0.602 5.129 4.527 -0.000 0.000 0.332 408 F C -0.119 175.691 175.800 0.016 0.000 1.061 408 F CA -0.922 57.078 58.000 0.000 0.000 0.974 408 F CB 1.533 40.533 39.000 0.000 0.000 1.310 408 F HN 0.335 nan 8.300 nan 0.000 0.491 409 V N -0.881 119.177 119.914 0.239 0.000 2.864 409 V HA 0.683 4.803 4.120 -0.000 0.000 0.314 409 V C -0.277 175.918 176.094 0.167 0.000 1.073 409 V CA -1.279 61.114 62.300 0.154 0.000 0.956 409 V CB 1.624 33.508 31.823 0.101 0.000 1.023 409 V HN 0.606 nan 8.190 nan 0.000 0.435 410 R N 2.065 122.648 120.500 0.137 0.000 2.643 410 R HA 0.494 4.834 4.340 -0.000 0.000 0.270 410 R C 0.303 176.715 176.300 0.187 0.000 1.061 410 R CA 0.491 56.681 56.100 0.150 0.000 1.107 410 R CB 1.028 31.391 30.300 0.105 0.000 0.999 410 R HN 1.151 nan 8.270 nan 0.000 0.460 411 T N -1.276 113.444 114.554 0.276 0.000 2.924 411 T HA 0.690 5.040 4.350 -0.000 0.000 0.291 411 T C -0.569 174.385 174.700 0.424 0.000 1.045 411 T CA -0.963 61.360 62.100 0.371 0.000 1.015 411 T CB 2.351 71.487 68.868 0.446 0.000 1.103 411 T HN 0.633 nan 8.240 nan 0.000 0.496 412 E N 0.699 121.136 120.200 0.396 0.000 2.388 412 E HA 0.295 4.645 4.350 -0.000 0.000 0.282 412 E C -1.536 175.035 176.600 -0.049 0.000 1.026 412 E CA -1.033 55.464 56.400 0.162 0.000 0.820 412 E CB 1.267 30.963 29.700 -0.006 0.000 1.226 412 E HN 0.636 nan 8.360 nan 0.000 0.432 413 Q N 1.937 121.510 119.800 -0.377 0.000 2.256 413 Q HA 0.193 4.533 4.340 -0.000 0.000 0.254 413 Q C -0.688 175.133 176.000 -0.298 0.000 0.916 413 Q CA -0.533 54.901 55.803 -0.614 0.000 0.932 413 Q CB 1.189 29.380 28.738 -0.912 0.000 1.207 413 Q HN 0.581 nan 8.270 nan 0.000 0.426 414 D N 1.271 121.540 120.400 -0.219 0.000 2.539 414 D HA 0.049 4.689 4.640 -0.000 0.000 0.276 414 D C 0.606 176.833 176.300 -0.122 0.000 1.206 414 D CA -0.360 53.562 54.000 -0.130 0.000 1.081 414 D CB 0.549 41.302 40.800 -0.079 0.000 1.142 414 D HN 0.262 nan 8.370 nan 0.000 0.595 415 E N -0.272 119.881 120.200 -0.079 0.000 2.023 415 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 415 E C 2.039 178.604 176.600 -0.059 0.000 1.003 415 E CA 2.414 58.777 56.400 -0.063 0.000 0.809 415 E CB -1.364 28.311 29.700 -0.041 0.000 0.755 415 E HN 0.792 nan 8.360 nan 0.000 0.449 416 T N -2.196 112.328 114.554 -0.049 0.000 3.052 416 T HA -0.017 4.333 4.350 -0.000 0.000 0.270 416 T C 1.543 176.215 174.700 -0.046 0.000 1.147 416 T CA 1.445 63.523 62.100 -0.035 0.000 1.089 416 T CB -0.323 68.532 68.868 -0.022 0.000 0.875 416 T HN 0.389 nan 8.240 nan 0.000 0.541 417 G N 1.026 109.772 108.800 -0.091 0.000 2.195 417 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.246 417 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.246 417 G C 0.023 174.823 174.900 -0.167 0.000 0.984 417 G CA 0.210 45.232 45.100 -0.129 0.000 0.633 417 G HN 0.886 nan 8.290 nan 0.000 0.525 418 K N 0.143 120.486 120.400 -0.096 0.000 2.401 418 K HA 0.304 4.624 4.320 -0.000 0.000 0.278 418 K C -0.298 176.258 176.600 -0.073 0.000 1.018 418 K CA -0.658 55.615 56.287 -0.023 0.000 0.981 418 K CB 0.185 32.697 32.500 0.020 0.000 0.933 418 K HN 0.196 nan 8.250 nan 0.000 0.477 419 W N 3.978 125.311 121.300 0.055 0.000 2.322 419 W HA 0.225 4.885 4.660 -0.000 0.000 0.307 419 W C 0.125 176.679 176.519 0.059 0.000 1.220 419 W CA -0.436 56.953 57.345 0.072 0.000 1.210 419 W CB 0.703 30.209 29.460 0.076 0.000 1.223 419 W HN 0.516 nan 8.180 nan 0.000 0.511 420 N N 2.323 121.179 118.700 0.259 0.000 2.381 420 N HA 0.363 5.103 4.740 -0.000 0.000 0.294 420 N C -1.182 174.439 175.510 0.186 0.000 1.216 420 N CA -0.951 52.202 53.050 0.171 0.000 0.803 420 N CB 1.894 40.434 38.487 0.090 0.000 1.372 420 N HN 0.430 nan 8.380 nan 0.000 0.500 421 E N 0.263 120.542 120.200 0.131 0.000 2.171 421 E HA 0.266 4.616 4.350 -0.000 0.000 0.271 421 E C -1.251 175.401 176.600 0.086 0.000 0.916 421 E CA -0.662 55.810 56.400 0.120 0.000 0.774 421 E CB 1.467 31.224 29.700 0.095 0.000 1.128 421 E HN 0.300 nan 8.360 nan 0.000 0.403 422 D N 3.962 124.413 120.400 0.086 0.000 2.428 422 D HA 0.039 4.679 4.640 -0.000 0.000 0.221 422 D C 0.613 176.946 176.300 0.056 0.000 1.123 422 D CA -0.180 53.857 54.000 0.061 0.000 0.869 422 D CB 1.126 41.959 40.800 0.055 0.000 1.032 422 D HN 0.385 nan 8.370 nan 0.000 0.506 423 E N 1.462 121.688 120.200 0.043 0.000 2.130 423 E HA -0.183 4.167 4.350 -0.000 0.000 0.196 423 E C 1.322 177.943 176.600 0.035 0.000 0.998 423 E CA 1.070 57.492 56.400 0.036 0.000 0.806 423 E CB 0.113 29.828 29.700 0.025 0.000 0.738 423 E HN 0.610 nan 8.360 nan 0.000 0.459 424 D N 0.203 120.621 120.400 0.031 0.000 2.347 424 D HA -0.137 4.503 4.640 -0.000 0.000 0.215 424 D C 0.139 176.459 176.300 0.033 0.000 0.976 424 D CA 0.305 54.322 54.000 0.028 0.000 0.884 424 D CB -0.123 40.689 40.800 0.020 0.000 0.915 424 D HN 0.164 nan 8.370 nan 0.000 0.526 425 Q N 1.026 120.852 119.800 0.043 0.000 2.462 425 Q HA 0.449 4.789 4.340 -0.000 0.000 0.247 425 Q C -0.109 175.932 176.000 0.068 0.000 1.044 425 Q CA -0.471 55.361 55.803 0.049 0.000 0.803 425 Q CB 1.797 30.562 28.738 0.045 0.000 1.190 425 Q HN 0.407 nan 8.270 nan 0.000 0.507 426 I N -1.806 118.806 120.570 0.070 0.000 2.863 426 I HA 0.821 4.991 4.170 -0.000 0.000 0.311 426 I C -0.718 175.465 176.117 0.110 0.000 1.026 426 I CA -1.302 60.056 61.300 0.096 0.000 1.077 426 I CB 1.746 39.799 38.000 0.088 0.000 1.262 426 I HN 0.081 nan 8.210 nan 0.000 0.461 427 V N 2.744 122.753 119.914 0.158 0.000 2.686 427 V HA 0.321 4.441 4.120 -0.000 0.000 0.306 427 V C -0.894 175.344 176.094 0.240 0.000 1.065 427 V CA -0.426 61.973 62.300 0.165 0.000 0.894 427 V CB 1.565 33.454 31.823 0.110 0.000 1.004 427 V HN 0.777 nan 8.190 nan 0.000 0.424 428 H N 5.710 124.836 119.070 0.093 0.000 2.691 428 H HA 0.471 5.027 4.556 0.000 0.000 0.281 428 H C -1.452 173.910 175.328 0.056 0.000 1.121 428 H CA -0.577 55.518 56.048 0.079 0.000 1.254 428 H CB 1.545 31.329 29.762 0.036 0.000 1.390 428 H HN 0.483 nan 8.280 nan 0.000 0.491 429 L N 5.454 126.696 121.223 0.031 0.000 2.272 429 L HA 0.318 4.658 4.340 -0.000 0.000 0.289 429 L C -0.259 176.570 176.870 -0.068 0.000 1.032 429 L CA -0.458 54.372 54.840 -0.017 0.000 0.810 429 L CB 0.782 42.819 42.059 -0.036 0.000 1.205 429 L HN 0.446 nan 8.230 nan 0.000 0.422 430 K N 4.184 124.572 120.400 -0.019 0.000 2.401 430 K HA 0.646 4.966 4.320 -0.000 0.000 0.278 430 K C -0.608 175.992 176.600 -0.001 0.000 1.018 430 K CA 0.135 56.432 56.287 0.016 0.000 0.981 430 K CB 0.726 33.266 32.500 0.067 0.000 0.933 430 K HN 0.784 nan 8.250 nan 0.000 0.477 431 A N 2.211 125.047 122.820 0.026 0.000 2.605 431 A HA 0.240 4.560 4.320 -0.000 0.000 0.294 431 A C -0.791 176.823 177.584 0.049 0.000 1.062 431 A CA -0.795 51.275 52.037 0.055 0.000 0.682 431 A CB 1.156 20.187 19.000 0.052 0.000 1.278 431 A HN 0.773 nan 8.150 nan 0.000 0.410 432 D N -0.316 120.118 120.400 0.056 0.000 2.422 432 D HA 0.236 4.876 4.640 -0.000 0.000 0.218 432 D C -0.053 176.273 176.300 0.043 0.000 1.047 432 D CA 1.000 55.028 54.000 0.047 0.000 0.885 432 D CB 1.091 41.920 40.800 0.048 0.000 1.035 432 D HN 0.241 nan 8.370 nan 0.000 0.502 433 V N 1.569 121.503 119.914 0.033 0.000 2.709 433 V HA 0.361 4.481 4.120 -0.000 0.000 0.308 433 V C -0.406 175.678 176.094 -0.017 0.000 1.062 433 V CA -0.790 61.520 62.300 0.017 0.000 0.901 433 V CB 2.975 34.785 31.823 -0.021 0.000 1.003 433 V HN -0.229 nan 8.190 nan 0.000 0.425 434 V N 5.548 125.444 119.914 -0.031 0.000 2.531 434 V HA 0.574 4.694 4.120 -0.000 0.000 0.301 434 V C -0.603 175.308 176.094 -0.305 0.000 1.034 434 V CA -0.361 61.887 62.300 -0.086 0.000 0.865 434 V CB 1.908 33.750 31.823 0.032 0.000 0.995 434 V HN 0.705 nan 8.190 nan 0.000 0.424 435 I N 4.121 124.475 120.570 -0.360 0.000 2.439 435 I HA 0.397 4.567 4.170 -0.000 0.000 0.285 435 I C 0.231 176.072 176.117 -0.459 0.000 1.021 435 I CA -0.364 60.635 61.300 -0.503 0.000 1.091 435 I CB 2.195 39.899 38.000 -0.492 0.000 1.242 435 I HN 0.675 nan 8.210 nan 0.000 0.439 436 S N 4.632 119.957 115.700 -0.624 0.000 2.513 436 S HA 0.699 5.169 4.470 -0.000 0.000 0.276 436 S C 0.157 174.482 174.600 -0.458 0.000 1.254 436 S CA -0.568 57.224 58.200 -0.679 0.000 1.053 436 S CB 1.724 64.405 63.200 -0.864 0.000 0.958 436 S HN 0.724 nan 8.310 nan 0.000 0.491 437 A N 3.327 125.967 122.820 -0.301 0.000 3.214 437 A HA 0.570 4.890 4.320 -0.000 0.000 0.304 437 A C -0.098 177.624 177.584 0.231 0.000 0.969 437 A CA -0.624 51.393 52.037 -0.032 0.000 0.986 437 A CB -0.562 18.432 19.000 -0.010 0.000 1.073 437 A HN 0.749 nan 8.150 nan 0.000 0.487 438 F N 0.559 120.557 119.950 0.079 0.000 2.773 438 F HA 0.405 4.932 4.527 -0.000 0.000 0.304 438 F C 1.501 177.344 175.800 0.072 0.000 1.129 438 F CA 0.026 58.078 58.000 0.085 0.000 1.378 438 F CB -0.715 38.359 39.000 0.123 0.000 1.095 438 F HN 0.628 nan 8.300 nan 0.000 0.565 439 G N -0.285 108.655 108.800 0.234 0.000 2.483 439 G HA2 0.025 3.985 3.960 -0.000 0.000 0.521 439 G HA3 0.025 3.985 3.960 -0.000 0.000 0.521 439 G C -0.772 174.210 174.900 0.137 0.000 1.278 439 G CA -0.681 44.514 45.100 0.158 0.000 0.965 439 G HN 0.170 nan 8.290 nan 0.000 0.504 440 S N -1.481 114.287 115.700 0.113 0.000 2.632 440 S HA 0.932 5.402 4.470 -0.000 0.000 0.289 440 S C 0.078 174.738 174.600 0.100 0.000 1.115 440 S CA 0.014 58.274 58.200 0.100 0.000 0.889 440 S CB 1.940 65.189 63.200 0.082 0.000 1.116 440 S HN 2.125 nan 8.310 nan 0.000 0.486 441 V N -0.851 119.119 119.914 0.095 0.000 3.226 441 V HA 0.804 4.924 4.120 -0.000 0.000 0.304 441 V C -1.921 174.224 176.094 0.086 0.000 1.336 441 V CA -1.067 61.291 62.300 0.095 0.000 1.066 441 V CB 1.710 33.594 31.823 0.101 0.000 1.087 441 V HN 0.681 nan 8.190 nan 0.000 0.451 442 L N 1.300 122.578 121.223 0.092 0.000 2.316 442 L HA 0.717 5.057 4.340 -0.000 0.000 0.280 442 L C 0.536 177.455 176.870 0.081 0.000 1.006 442 L CA 0.293 55.186 54.840 0.089 0.000 0.836 442 L CB 1.040 43.167 42.059 0.113 0.000 1.221 442 L HN 0.801 nan 8.230 nan 0.000 0.418 443 R N 1.164 121.700 120.500 0.060 0.000 2.444 443 R HA 0.171 4.511 4.340 -0.000 0.000 0.201 443 R C -0.292 176.020 176.300 0.020 0.000 0.861 443 R CA -0.455 55.669 56.100 0.040 0.000 1.034 443 R CB 0.331 30.657 30.300 0.043 0.000 1.347 443 R HN 0.623 nan 8.270 nan 0.000 0.659 444 D N 2.795 123.210 120.400 0.025 0.000 2.661 444 D HA -0.060 4.580 4.640 -0.000 0.000 0.244 444 D C -1.741 174.556 176.300 -0.005 0.000 1.196 444 D CA -0.722 53.285 54.000 0.012 0.000 0.881 444 D CB 1.203 42.013 40.800 0.018 0.000 1.141 444 D HN -0.006 nan 8.370 nan 0.000 0.530 445 P HA -0.129 nan 4.420 nan 0.000 0.218 445 P C 1.056 178.334 177.300 -0.037 0.000 1.148 445 P CA 1.269 64.345 63.100 -0.040 0.000 0.822 445 P CB 0.265 31.943 31.700 -0.037 0.000 0.784 446 K N -0.812 119.575 120.400 -0.020 0.000 2.148 446 K HA -0.041 4.279 4.320 -0.000 0.000 0.204 446 K C 1.865 178.458 176.600 -0.011 0.000 1.050 446 K CA 0.977 57.255 56.287 -0.016 0.000 0.942 446 K CB -0.583 31.911 32.500 -0.010 0.000 0.724 446 K HN 0.034 nan 8.250 nan 0.000 0.446 447 V N 1.813 121.726 119.914 -0.002 0.000 2.379 447 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 447 V C 1.952 178.062 176.094 0.026 0.000 1.044 447 V CA 1.570 63.877 62.300 0.012 0.000 1.036 447 V CB -0.289 31.548 31.823 0.024 0.000 0.664 447 V HN 0.256 nan 8.190 nan 0.000 0.453 448 K N 0.079 120.483 120.400 0.008 0.000 2.097 448 K HA -0.225 4.095 4.320 -0.000 0.000 0.205 448 K C 2.167 178.736 176.600 -0.053 0.000 1.050 448 K CA 1.630 57.906 56.287 -0.019 0.000 0.938 448 K CB -0.154 32.235 32.500 -0.186 0.000 0.718 448 K HN 0.545 nan 8.250 nan 0.000 0.442 449 E N 1.041 121.206 120.200 -0.058 0.000 2.153 449 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 449 E C 1.739 178.335 176.600 -0.008 0.000 0.988 449 E CA 0.865 57.237 56.400 -0.046 0.000 0.811 449 E CB -0.002 29.673 29.700 -0.041 0.000 0.746 449 E HN 0.307 nan 8.360 nan 0.000 0.466 450 A N 0.502 123.323 122.820 0.003 0.000 2.172 450 A HA -0.030 4.290 4.320 -0.000 0.000 0.216 450 A C 1.826 179.422 177.584 0.021 0.000 1.154 450 A CA 0.551 52.593 52.037 0.007 0.000 0.701 450 A CB -0.200 18.796 19.000 -0.006 0.000 0.789 450 A HN 0.312 nan 8.150 nan 0.000 0.465 451 L N -0.287 120.969 121.223 0.054 0.000 2.628 451 L HA 0.118 4.458 4.340 -0.000 0.000 0.229 451 L C 1.098 178.026 176.870 0.096 0.000 1.137 451 L CA -0.256 54.631 54.840 0.077 0.000 0.909 451 L CB 0.067 42.240 42.059 0.190 0.000 1.137 451 L HN 0.313 nan 8.230 nan 0.000 0.470 452 S N 1.742 117.483 115.700 0.068 0.000 2.560 452 S HA 0.132 4.602 4.470 -0.000 0.000 0.284 452 S C -1.638 173.003 174.600 0.068 0.000 1.327 452 S CA -0.786 57.452 58.200 0.062 0.000 1.055 452 S CB 0.626 63.845 63.200 0.032 0.000 0.868 452 S HN 0.091 nan 8.310 nan 0.000 0.506 453 P HA 0.256 nan 4.420 nan 0.000 0.270 453 P C 0.219 177.560 177.300 0.067 0.000 1.754 453 P CA -0.362 62.776 63.100 0.064 0.000 1.202 453 P CB -0.608 31.125 31.700 0.055 0.000 1.592 454 I N -2.259 118.347 120.570 0.061 0.000 2.813 454 I HA 0.181 4.351 4.170 -0.000 0.000 0.287 454 I C 0.029 176.219 176.117 0.121 0.000 1.196 454 I CA -0.300 61.007 61.300 0.012 0.000 1.421 454 I CB 0.471 38.401 38.000 -0.116 0.000 1.365 454 I HN -0.214 nan 8.210 nan 0.000 0.591 455 K N 4.487 124.910 120.400 0.038 0.000 2.326 455 K HA 0.361 4.681 4.320 -0.000 0.000 0.275 455 K C -1.142 175.515 176.600 0.095 0.000 1.018 455 K CA -0.111 56.237 56.287 0.102 0.000 0.962 455 K CB 0.660 33.175 32.500 0.025 0.000 0.953 455 K HN 0.371 nan 8.250 nan 0.000 0.475 456 F N 2.060 121.998 119.950 -0.020 0.000 2.480 456 F HA 0.183 4.710 4.527 0.000 0.000 0.329 456 F C 0.724 176.539 175.800 0.026 0.000 1.091 456 F CA -1.054 56.945 58.000 -0.002 0.000 0.972 456 F CB 1.180 40.180 39.000 0.000 0.000 1.150 456 F HN 0.585 nan 8.300 nan 0.000 0.467 457 N N 1.528 120.340 118.700 0.187 0.000 2.366 457 N HA 0.178 4.918 4.740 -0.000 0.000 0.277 457 N C 0.906 176.546 175.510 0.217 0.000 1.275 457 N CA -0.620 52.548 53.050 0.197 0.000 0.964 457 N CB 0.213 38.837 38.487 0.228 0.000 1.167 457 N HN 0.640 nan 8.380 nan 0.000 0.568 458 R N -1.449 119.165 120.500 0.190 0.000 2.285 458 R HA -0.019 4.321 4.340 -0.000 0.000 0.213 458 R C 0.356 176.596 176.300 -0.100 0.000 1.068 458 R CA 0.731 56.824 56.100 -0.012 0.000 1.004 458 R CB -0.290 29.901 30.300 -0.181 0.000 0.873 458 R HN 0.652 nan 8.270 nan 0.000 0.467 459 W N 1.499 122.824 121.300 0.042 0.000 3.256 459 W HA 0.079 4.739 4.660 0.000 0.000 0.269 459 W C -0.189 176.374 176.519 0.073 0.000 1.310 459 W CA 0.348 57.719 57.345 0.043 0.000 1.673 459 W CB 0.011 29.486 29.460 0.026 0.000 1.115 459 W HN 0.269 nan 8.180 nan 0.000 0.686 460 D N 0.603 121.165 120.400 0.270 0.000 2.835 460 D HA -0.181 4.459 4.640 -0.000 0.000 0.230 460 D C -0.671 175.889 176.300 0.433 0.000 1.130 460 D CA 0.700 54.879 54.000 0.299 0.000 0.738 460 D CB -1.273 39.624 40.800 0.161 0.000 1.090 460 D HN 0.014 nan 8.370 nan 0.000 0.433 461 L N -0.908 120.504 121.223 0.316 0.000 2.341 461 L HA 0.635 4.975 4.340 -0.000 0.000 0.267 461 L C -2.076 174.587 176.870 -0.344 0.000 1.009 461 L CA -2.370 52.509 54.840 0.066 0.000 0.819 461 L CB 1.907 43.992 42.059 0.042 0.000 1.323 461 L HN -0.225 nan 8.230 nan 0.000 0.425 462 P HA -0.013 nan 4.420 nan 0.000 0.264 462 P C -0.980 176.063 177.300 -0.429 0.000 1.193 462 P CA 0.123 62.700 63.100 -0.870 0.000 0.763 462 P CB 0.431 31.727 31.700 -0.672 0.000 0.810 463 E N 2.997 122.992 120.200 -0.342 0.000 2.259 463 E HA 0.390 4.740 4.350 -0.000 0.000 0.281 463 E C -0.685 175.793 176.600 -0.204 0.000 1.027 463 E CA -0.803 55.481 56.400 -0.194 0.000 0.838 463 E CB 0.583 30.217 29.700 -0.110 0.000 1.066 463 E HN 0.253 nan 8.360 nan 0.000 0.401 464 V N 1.177 120.990 119.914 -0.169 0.000 3.078 464 V HA 0.404 4.524 4.120 -0.000 0.000 0.311 464 V C -0.496 175.519 176.094 -0.132 0.000 1.138 464 V CA -1.190 61.008 62.300 -0.170 0.000 1.007 464 V CB 1.819 33.550 31.823 -0.155 0.000 1.045 464 V HN 0.766 nan 8.190 nan 0.000 0.432 465 D N 4.045 124.360 120.400 -0.142 0.000 2.343 465 D HA 0.262 4.902 4.640 -0.000 0.000 0.255 465 D C -1.430 174.810 176.300 -0.100 0.000 1.187 465 D CA -1.448 52.479 54.000 -0.121 0.000 0.875 465 D CB 2.215 42.927 40.800 -0.148 0.000 1.136 465 D HN 0.535 nan 8.370 nan 0.000 0.469 466 P HA -0.166 nan 4.420 nan 0.000 0.223 466 P C 0.829 178.101 177.300 -0.047 0.000 1.144 466 P CA 0.985 64.050 63.100 -0.058 0.000 0.783 466 P CB 0.570 32.237 31.700 -0.054 0.000 0.771 467 E N 0.543 120.694 120.200 -0.082 0.000 2.127 467 E HA -0.063 4.287 4.350 -0.000 0.000 0.191 467 E C 1.891 178.369 176.600 -0.203 0.000 0.964 467 E CA 1.593 57.939 56.400 -0.090 0.000 0.832 467 E CB -0.849 28.792 29.700 -0.098 0.000 0.790 467 E HN 0.200 nan 8.360 nan 0.000 0.465 468 T N -2.455 111.888 114.554 -0.351 0.000 3.022 468 T HA 0.155 4.505 4.350 -0.000 0.000 0.250 468 T C 0.785 175.523 174.700 0.063 0.000 1.060 468 T CA 0.430 62.214 62.100 -0.527 0.000 1.013 468 T CB 0.111 68.606 68.868 -0.621 0.000 0.982 468 T HN 0.090 nan 8.240 nan 0.000 0.508 469 M N -0.076 119.549 119.600 0.043 0.000 2.899 469 M HA -0.158 4.322 4.480 -0.000 0.000 0.195 469 M C 0.057 176.399 176.300 0.070 0.000 0.603 469 M CA 0.508 55.889 55.300 0.135 0.000 0.712 469 M CB -2.867 29.922 32.600 0.315 0.000 2.569 469 M HN 0.660 nan 8.290 nan 0.000 0.406 470 Q N 1.453 121.141 119.800 -0.188 0.000 2.288 470 Q HA 0.432 4.772 4.340 -0.000 0.000 0.254 470 Q C 0.844 176.551 176.000 -0.488 0.000 0.932 470 Q CA 0.427 55.797 55.803 -0.721 0.000 0.902 470 Q CB 1.245 29.545 28.738 -0.731 0.000 1.203 470 Q HN 0.476 nan 8.270 nan 0.000 0.415 471 T N -0.797 113.426 114.554 -0.551 0.000 2.833 471 T HA 0.134 4.484 4.350 -0.000 0.000 0.292 471 T C 1.277 175.784 174.700 -0.323 0.000 1.031 471 T CA -0.026 61.845 62.100 -0.382 0.000 0.937 471 T CB 0.614 69.251 68.868 -0.385 0.000 1.256 471 T HN 0.689 nan 8.240 nan 0.000 0.551 472 S N -0.827 114.735 115.700 -0.230 0.000 2.474 472 S HA -0.004 4.466 4.470 -0.000 0.000 0.235 472 S C 0.468 174.979 174.600 -0.149 0.000 0.997 472 S CA 0.254 58.361 58.200 -0.155 0.000 0.949 472 S CB -0.453 62.693 63.200 -0.090 0.000 0.766 472 S HN 0.679 nan 8.310 nan 0.000 0.517 473 E N 2.124 122.194 120.200 -0.217 0.000 2.109 473 E HA 0.311 4.661 4.350 -0.000 0.000 0.278 473 E C -2.051 174.365 176.600 -0.307 0.000 0.954 473 E CA -2.672 53.623 56.400 -0.176 0.000 0.779 473 E CB 1.465 31.036 29.700 -0.216 0.000 1.093 473 E HN 0.089 nan 8.360 nan 0.000 0.401 474 P HA -0.180 nan 4.420 nan 0.000 0.217 474 P C 1.143 178.044 177.300 -0.664 0.000 1.151 474 P CA 1.383 64.301 63.100 -0.303 0.000 0.849 474 P CB -0.033 31.672 31.700 0.007 0.000 0.787 475 W N -1.369 119.580 121.300 -0.585 0.000 3.256 475 W HA 0.299 4.959 4.660 -0.000 0.000 0.269 475 W C -0.873 175.590 176.519 -0.094 0.000 1.310 475 W CA 0.102 57.149 57.345 -0.496 0.000 1.673 475 W CB -0.758 28.665 29.460 -0.062 0.000 1.115 475 W HN -0.295 nan 8.180 nan 0.000 0.686 476 V N 2.555 122.027 119.914 -0.736 0.000 2.448 476 V HA 0.446 4.566 4.120 -0.000 0.000 0.295 476 V C -0.818 174.974 176.094 -0.503 0.000 1.025 476 V CA -0.464 61.450 62.300 -0.643 0.000 0.859 476 V CB 1.135 32.424 31.823 -0.889 0.000 0.988 476 V HN -0.179 nan 8.190 nan 0.000 0.431 477 F N 1.934 121.729 119.950 -0.258 0.000 2.618 477 F HA 0.938 5.465 4.527 -0.000 0.000 0.332 477 F C 0.346 175.950 175.800 -0.326 0.000 1.061 477 F CA -0.738 57.173 58.000 -0.148 0.000 0.974 477 F CB 2.137 41.198 39.000 0.101 0.000 1.310 477 F HN 0.611 nan 8.300 nan 0.000 0.491 478 A N 0.106 122.827 122.820 -0.166 0.000 2.594 478 A HA 0.913 5.233 4.320 -0.000 0.000 0.295 478 A C -0.900 176.511 177.584 -0.289 0.000 1.071 478 A CA -0.170 51.544 52.037 -0.539 0.000 0.685 478 A CB 1.718 20.481 19.000 -0.394 0.000 1.285 478 A HN 1.286 nan 8.150 nan 0.000 0.405 479 G N -1.087 107.490 108.800 -0.371 0.000 2.576 479 G HA2 0.857 4.817 3.960 -0.000 0.000 0.290 479 G HA3 0.857 4.817 3.960 -0.000 0.000 0.290 479 G C 0.159 175.112 174.900 0.088 0.000 1.442 479 G CA 0.623 45.780 45.100 0.095 0.000 0.792 479 G HN 2.661 nan 8.290 nan 0.000 0.491 480 G N 0.120 108.984 108.800 0.107 0.000 2.615 480 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.218 480 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.218 480 G C 0.518 175.431 174.900 0.021 0.000 1.339 480 G CA 0.677 45.824 45.100 0.078 0.000 0.884 480 G HN 0.821 nan 8.290 nan 0.000 0.559 481 D N -0.484 119.931 120.400 0.025 0.000 2.190 481 D HA -0.101 4.539 4.640 -0.000 0.000 0.200 481 D C 2.391 178.685 176.300 -0.010 0.000 0.992 481 D CA 1.438 55.445 54.000 0.011 0.000 0.854 481 D CB -0.103 40.715 40.800 0.029 0.000 0.936 481 D HN 0.505 nan 8.370 nan 0.000 0.462 482 I N -0.040 120.514 120.570 -0.027 0.000 2.454 482 I HA -0.215 3.955 4.170 -0.000 0.000 0.254 482 I C 1.781 177.845 176.117 -0.088 0.000 1.156 482 I CA 0.796 62.063 61.300 -0.056 0.000 1.433 482 I CB 0.311 38.253 38.000 -0.097 0.000 1.082 482 I HN -0.162 nan 8.210 nan 0.000 0.432 483 V N 0.983 120.841 119.914 -0.093 0.000 2.871 483 V HA 0.106 4.226 4.120 -0.000 0.000 0.256 483 V C 1.830 177.858 176.094 -0.109 0.000 1.082 483 V CA 1.118 63.350 62.300 -0.114 0.000 1.105 483 V CB -0.866 30.899 31.823 -0.096 0.000 0.713 483 V HN 0.717 nan 8.190 nan 0.000 0.473 484 G N -0.358 108.392 108.800 -0.083 0.000 2.143 484 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.249 484 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.249 484 G C 0.725 175.543 174.900 -0.136 0.000 0.981 484 G CA 0.863 45.901 45.100 -0.103 0.000 0.665 484 G HN 0.413 nan 8.290 nan 0.000 0.528 485 M N -0.021 119.515 119.600 -0.106 0.000 2.858 485 M HA 0.617 5.097 4.480 -0.000 0.000 0.255 485 M C 1.727 177.992 176.300 -0.058 0.000 1.336 485 M CA 1.002 56.241 55.300 -0.101 0.000 1.220 485 M CB 0.325 32.869 32.600 -0.093 0.000 1.252 485 M HN 0.662 nan 8.290 nan 0.000 0.538 486 A N 2.073 124.873 122.820 -0.033 0.000 2.540 486 A HA 0.062 4.382 4.320 -0.000 0.000 0.239 486 A C 0.169 177.748 177.584 -0.008 0.000 1.061 486 A CA 0.159 52.190 52.037 -0.010 0.000 0.758 486 A CB -0.109 18.897 19.000 0.010 0.000 0.991 486 A HN 0.699 nan 8.150 nan 0.000 0.502 487 N N 0.072 118.770 118.700 -0.003 0.000 2.181 487 N HA 0.056 4.795 4.740 -0.000 0.000 0.207 487 N C 0.091 175.608 175.510 0.011 0.000 1.182 487 N CA 0.962 54.014 53.050 0.003 0.000 0.893 487 N CB 0.789 39.275 38.487 -0.002 0.000 1.032 487 N HN 0.849 nan 8.380 nan 0.000 0.513 488 T N -3.507 111.054 114.554 0.011 0.000 2.838 488 T HA 0.308 4.658 4.350 -0.000 0.000 0.292 488 T C 0.980 175.690 174.700 0.018 0.000 1.113 488 T CA -0.482 61.626 62.100 0.013 0.000 1.008 488 T CB 1.810 70.683 68.868 0.007 0.000 1.259 488 T HN -0.264 nan 8.240 nan 0.000 0.520 489 T N 0.584 115.147 114.554 0.015 0.000 2.737 489 T HA -0.096 4.254 4.350 -0.000 0.000 0.265 489 T C 2.013 176.720 174.700 0.011 0.000 1.038 489 T CA 1.409 63.519 62.100 0.015 0.000 1.144 489 T CB -0.360 68.512 68.868 0.007 0.000 0.866 489 T HN 0.493 nan 8.240 nan 0.000 0.434 490 V N 1.361 121.276 119.914 0.001 0.000 2.407 490 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 490 V C 2.294 178.394 176.094 0.011 0.000 1.055 490 V CA 1.932 64.230 62.300 -0.002 0.000 1.049 490 V CB -0.402 31.416 31.823 -0.008 0.000 0.662 490 V HN 0.536 nan 8.190 nan 0.000 0.455 491 E N -0.464 119.745 120.200 0.014 0.000 2.152 491 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 491 E C 2.359 178.980 176.600 0.034 0.000 0.983 491 E CA 1.318 57.729 56.400 0.019 0.000 0.818 491 E CB -0.105 29.602 29.700 0.011 0.000 0.758 491 E HN 0.591 nan 8.360 nan 0.000 0.467 492 S N 0.278 116.003 115.700 0.042 0.000 2.383 492 S HA -0.100 4.370 4.470 -0.000 0.000 0.227 492 S C 2.156 176.803 174.600 0.079 0.000 1.026 492 S CA 0.591 58.832 58.200 0.069 0.000 0.981 492 S CB -0.009 63.232 63.200 0.068 0.000 0.818 492 S HN 0.057 nan 8.310 nan 0.000 0.472 493 V N 2.633 122.579 119.914 0.053 0.000 2.343 493 V HA -0.177 3.943 4.120 -0.000 0.000 0.247 493 V C 2.283 178.410 176.094 0.056 0.000 1.051 493 V CA 1.921 64.254 62.300 0.055 0.000 1.036 493 V CB -0.827 31.015 31.823 0.032 0.000 0.654 493 V HN 0.460 nan 8.190 nan 0.000 0.451 494 N N 0.268 118.990 118.700 0.036 0.000 2.166 494 N HA -0.174 4.566 4.740 -0.000 0.000 0.186 494 N C 1.462 176.985 175.510 0.022 0.000 1.019 494 N CA 1.464 54.521 53.050 0.012 0.000 0.856 494 N CB -0.208 38.286 38.487 0.010 0.000 0.993 494 N HN 0.416 nan 8.380 nan 0.000 0.426 495 D N -0.844 119.594 120.400 0.064 0.000 2.117 495 D HA -0.066 4.574 4.640 -0.000 0.000 0.197 495 D C 1.821 178.200 176.300 0.131 0.000 0.987 495 D CA 1.389 55.459 54.000 0.117 0.000 0.829 495 D CB -0.804 40.093 40.800 0.161 0.000 0.961 495 D HN 0.454 nan 8.370 nan 0.000 0.460 496 G N 0.520 109.356 108.800 0.060 0.000 2.408 496 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 496 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 496 G C 1.535 176.356 174.900 -0.131 0.000 1.150 496 G CA 0.799 45.794 45.100 -0.174 0.000 0.776 496 G HN 0.263 nan 8.290 nan 0.000 0.542 497 K N -0.152 120.197 120.400 -0.086 0.000 2.026 497 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 497 K C 2.528 178.989 176.600 -0.231 0.000 1.048 497 K CA 1.733 57.818 56.287 -0.336 0.000 0.929 497 K CB -0.175 32.057 32.500 -0.447 0.000 0.713 497 K HN 0.276 nan 8.250 nan 0.000 0.439 498 Q N 0.459 120.218 119.800 -0.068 0.000 2.061 498 Q HA -0.117 4.223 4.340 -0.000 0.000 0.204 498 Q C 1.783 177.913 176.000 0.216 0.000 0.984 498 Q CA 2.190 58.042 55.803 0.082 0.000 0.846 498 Q CB -0.407 28.402 28.738 0.119 0.000 0.902 498 Q HN 0.431 nan 8.270 nan 0.000 0.421 499 A N -0.180 122.739 122.820 0.165 0.000 1.933 499 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 499 A C 2.244 179.815 177.584 -0.022 0.000 1.175 499 A CA 2.010 54.156 52.037 0.181 0.000 0.628 499 A CB -1.090 18.065 19.000 0.259 0.000 0.814 499 A HN 0.611 nan 8.150 nan 0.000 0.444 500 S N -1.280 114.379 115.700 -0.070 0.000 2.374 500 S HA -0.258 4.212 4.470 -0.000 0.000 0.227 500 S C 1.933 176.527 174.600 -0.010 0.000 1.037 500 S CA 1.327 59.481 58.200 -0.077 0.000 1.024 500 S CB -0.921 62.291 63.200 0.020 0.000 0.861 500 S HN 0.772 nan 8.310 nan 0.000 0.456 501 W N 1.241 122.469 121.300 -0.119 0.000 2.381 501 W HA -0.144 4.516 4.660 -0.000 0.000 0.301 501 W C 1.461 177.867 176.519 -0.187 0.000 1.205 501 W CA 1.146 58.399 57.345 -0.154 0.000 1.285 501 W CB -0.329 28.943 29.460 -0.313 0.000 1.133 501 W HN 0.379 nan 8.180 nan 0.000 0.521 502 Y N 0.320 120.612 120.300 -0.014 0.000 2.457 502 Y HA -0.065 4.485 4.550 0.000 0.000 0.292 502 Y C 2.446 178.230 175.900 -0.193 0.000 1.125 502 Y CA 1.179 59.258 58.100 -0.036 0.000 1.254 502 Y CB -0.757 37.864 38.460 0.267 0.000 1.012 502 Y HN -0.155 nan 8.280 nan 0.000 0.555 503 I N -0.834 119.489 120.570 -0.413 0.000 2.252 503 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 503 I C 2.499 178.500 176.117 -0.194 0.000 1.102 503 I CA 1.555 62.508 61.300 -0.578 0.000 1.385 503 I CB -0.298 37.314 38.000 -0.647 0.000 1.064 503 I HN 0.253 nan 8.210 nan 0.000 0.414 504 H N 1.628 120.492 119.070 -0.343 0.000 2.319 504 H HA -0.237 4.319 4.556 -0.000 0.000 0.299 504 H C 2.205 177.368 175.328 -0.276 0.000 1.092 504 H CA 2.196 58.073 56.048 -0.286 0.000 1.302 504 H CB -0.122 29.458 29.762 -0.303 0.000 1.373 504 H HN 0.118 nan 8.280 nan 0.000 0.497 505 K N -1.034 119.038 120.400 -0.547 0.000 2.032 505 K HA -0.253 4.067 4.320 -0.000 0.000 0.209 505 K C 2.241 178.748 176.600 -0.154 0.000 1.048 505 K CA 1.698 57.704 56.287 -0.469 0.000 0.927 505 K CB -0.525 31.770 32.500 -0.342 0.000 0.712 505 K HN 0.412 nan 8.250 nan 0.000 0.441 506 Y N 1.381 121.647 120.300 -0.056 0.000 2.114 506 Y HA -0.190 4.360 4.550 0.000 0.000 0.284 506 Y C 1.805 177.737 175.900 0.055 0.000 1.143 506 Y CA 1.786 59.935 58.100 0.082 0.000 1.135 506 Y CB -0.228 38.394 38.460 0.271 0.000 0.980 506 Y HN 0.025 nan 8.280 nan 0.000 0.499 507 I N 0.147 120.674 120.570 -0.071 0.000 2.163 507 I HA -0.362 3.808 4.170 -0.000 0.000 0.243 507 I C 2.460 178.537 176.117 -0.066 0.000 1.085 507 I CA 1.399 62.658 61.300 -0.069 0.000 1.347 507 I CB -0.581 37.439 38.000 0.032 0.000 1.044 507 I HN 0.316 nan 8.210 nan 0.000 0.408 508 Q N 0.673 120.369 119.800 -0.174 0.000 2.077 508 Q HA -0.228 4.112 4.340 -0.000 0.000 0.206 508 Q C 2.453 178.390 176.000 -0.106 0.000 0.989 508 Q CA 2.080 57.766 55.803 -0.195 0.000 0.853 508 Q CB -0.639 27.881 28.738 -0.363 0.000 0.907 508 Q HN 0.604 nan 8.270 nan 0.000 0.418 509 A N 1.053 123.779 122.820 -0.157 0.000 1.940 509 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 509 A C 2.056 179.553 177.584 -0.145 0.000 1.176 509 A CA 1.325 53.285 52.037 -0.129 0.000 0.631 509 A CB -0.375 18.553 19.000 -0.120 0.000 0.814 509 A HN 0.262 nan 8.150 nan 0.000 0.446 510 Q N -1.451 118.206 119.800 -0.238 0.000 2.226 510 Q HA -0.145 4.195 4.340 -0.000 0.000 0.204 510 Q C 0.659 176.512 176.000 -0.244 0.000 0.975 510 Q CA 1.250 56.889 55.803 -0.272 0.000 0.866 510 Q CB -0.296 28.222 28.738 -0.367 0.000 0.915 510 Q HN 0.874 nan 8.270 nan 0.000 0.440 511 Y N -0.604 119.604 120.300 -0.154 0.000 2.532 511 Y HA 0.281 4.831 4.550 -0.000 0.000 0.283 511 Y C 1.301 177.150 175.900 -0.085 0.000 1.181 511 Y CA 0.237 58.275 58.100 -0.104 0.000 1.256 511 Y CB 0.410 38.809 38.460 -0.101 0.000 1.112 511 Y HN 0.196 nan 8.280 nan 0.000 0.521 512 G N 0.350 109.154 108.800 0.005 0.000 2.176 512 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.252 512 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.252 512 G C 0.082 174.985 174.900 0.005 0.000 1.024 512 G CA 0.188 45.284 45.100 -0.006 0.000 0.755 512 G HN 0.648 nan 8.290 nan 0.000 0.507 513 A N -0.470 122.348 122.820 -0.004 0.000 2.355 513 A HA 0.950 5.270 4.320 -0.000 0.000 0.324 513 A C 0.375 177.931 177.584 -0.048 0.000 1.117 513 A CA 0.550 52.577 52.037 -0.017 0.000 0.785 513 A CB 1.465 20.452 19.000 -0.022 0.000 1.254 513 A HN 1.819 nan 8.150 nan 0.000 0.453 514 S N 0.200 115.882 115.700 -0.029 0.000 2.690 514 S HA 0.811 5.281 4.470 -0.000 0.000 0.291 514 S C 0.028 174.603 174.600 -0.040 0.000 1.138 514 S CA 0.004 58.185 58.200 -0.031 0.000 1.013 514 S CB 1.182 64.386 63.200 0.007 0.000 1.053 514 S HN 1.977 nan 8.310 nan 0.000 0.539 515 V N -1.512 118.378 119.914 -0.040 0.000 3.074 515 V HA 0.784 4.904 4.120 -0.000 0.000 0.314 515 V C 0.290 176.469 176.094 0.142 0.000 1.117 515 V CA -0.898 61.402 62.300 -0.000 0.000 1.014 515 V CB 1.139 32.825 31.823 -0.229 0.000 1.057 515 V HN 1.113 nan 8.190 nan 0.000 0.438 516 S N 1.554 117.412 115.700 0.262 0.000 2.558 516 S HA 0.288 4.758 4.470 -0.000 0.000 0.293 516 S C 1.472 176.249 174.600 0.296 0.000 1.292 516 S CA 0.308 58.666 58.200 0.264 0.000 1.063 516 S CB 0.731 64.103 63.200 0.287 0.000 0.831 516 S HN 1.887 nan 8.310 nan 0.000 0.499 517 A N 4.595 127.524 122.820 0.182 0.000 1.969 517 A HA 0.062 4.382 4.320 -0.000 0.000 0.218 517 A C 1.185 178.848 177.584 0.132 0.000 1.169 517 A CA 1.061 53.197 52.037 0.164 0.000 0.635 517 A CB -0.255 18.809 19.000 0.107 0.000 0.810 517 A HN 0.813 nan 8.150 nan 0.000 0.445 518 K N 0.894 121.335 120.400 0.068 0.000 2.234 518 K HA 0.358 4.678 4.320 -0.000 0.000 0.277 518 K C -2.925 173.516 176.600 -0.265 0.000 1.038 518 K CA -2.516 53.733 56.287 -0.065 0.000 0.888 518 K CB 0.833 33.302 32.500 -0.051 0.000 1.091 518 K HN -0.038 nan 8.250 nan 0.000 0.467 519 P HA -0.079 nan 4.420 nan 0.000 0.262 519 P C -1.270 175.421 177.300 -1.015 0.000 1.182 519 P CA 0.543 62.709 63.100 -1.555 0.000 0.761 519 P CB 0.358 31.308 31.700 -1.250 0.000 0.795 520 E N 2.861 122.378 120.200 -1.138 0.000 3.898 520 E HA 0.191 4.541 4.350 -0.000 0.000 0.219 520 E C -0.435 176.151 176.600 -0.024 0.000 1.207 520 E CA -0.299 55.925 56.400 -0.293 0.000 1.240 520 E CB 0.276 29.975 29.700 -0.002 0.000 1.239 520 E HN 0.368 nan 8.360 nan 0.000 0.422 521 L N 2.214 123.394 121.223 -0.072 0.000 2.416 521 L HA 0.251 4.591 4.340 -0.000 0.000 0.272 521 L C -1.902 175.079 176.870 0.185 0.000 1.161 521 L CA -1.626 53.298 54.840 0.140 0.000 0.845 521 L CB -0.103 41.980 42.059 0.040 0.000 1.119 521 L HN 0.030 nan 8.230 nan 0.000 0.464 522 P HA 0.213 nan 4.420 nan 0.000 0.274 522 P C -0.254 177.205 177.300 0.265 0.000 1.237 522 P CA -0.441 62.812 63.100 0.255 0.000 0.793 522 P CB 0.666 32.514 31.700 0.245 0.000 0.977 523 L N 0.546 121.896 121.223 0.211 0.000 2.505 523 L HA 0.337 4.677 4.340 -0.000 0.000 0.226 523 L C 0.586 177.427 176.870 -0.048 0.000 1.211 523 L CA -0.549 54.296 54.840 0.008 0.000 0.828 523 L CB -0.024 41.890 42.059 -0.242 0.000 1.331 523 L HN 0.293 nan 8.230 nan 0.000 0.513 524 F N 0.019 119.769 119.950 -0.333 0.000 2.408 524 F HA 0.435 4.962 4.527 -0.000 0.000 0.344 524 F C -0.821 174.706 175.800 -0.455 0.000 1.112 524 F CA -0.387 57.461 58.000 -0.253 0.000 1.096 524 F CB 0.467 39.361 39.000 -0.176 0.000 1.129 524 F HN 0.036 nan 8.300 nan 0.000 0.486 525 Y N 2.459 122.393 120.300 -0.609 0.000 2.536 525 Y HA 0.615 5.165 4.550 -0.000 0.000 0.347 525 Y C 0.219 175.789 175.900 -0.550 0.000 1.000 525 Y CA -0.732 57.118 58.100 -0.417 0.000 1.051 525 Y CB 2.248 40.576 38.460 -0.220 0.000 1.259 525 Y HN 0.686 nan 8.280 nan 0.000 0.468 526 T N -2.460 112.042 114.554 -0.086 0.000 2.812 526 T HA 0.402 4.752 4.350 -0.000 0.000 0.294 526 T C -2.651 172.007 174.700 -0.069 0.000 1.159 526 T CA -2.379 59.674 62.100 -0.078 0.000 1.008 526 T CB 1.904 70.819 68.868 0.079 0.000 1.289 526 T HN 0.189 nan 8.240 nan 0.000 0.514 527 P HA -0.006 nan 4.420 nan 0.000 0.221 527 P C 1.683 178.826 177.300 -0.261 0.000 1.145 527 P CA 0.443 63.459 63.100 -0.139 0.000 0.795 527 P CB -0.137 31.524 31.700 -0.066 0.000 0.775 528 V N 0.513 120.109 119.914 -0.530 0.000 2.392 528 V HA -0.245 3.875 4.120 -0.000 0.000 0.249 528 V C 1.750 177.720 176.094 -0.207 0.000 1.059 528 V CA 2.043 63.983 62.300 -0.600 0.000 1.051 528 V CB -1.191 30.013 31.823 -1.032 0.000 0.658 528 V HN 0.168 nan 8.190 nan 0.000 0.455 529 D N 0.110 120.477 120.400 -0.055 0.000 2.309 529 D HA -0.077 4.563 4.640 -0.000 0.000 0.212 529 D C 1.841 178.172 176.300 0.052 0.000 0.968 529 D CA 0.949 54.993 54.000 0.074 0.000 0.882 529 D CB -0.047 40.872 40.800 0.198 0.000 0.918 529 D HN 0.397 nan 8.370 nan 0.000 0.503 530 L N 0.438 121.669 121.223 0.014 0.000 2.558 530 L HA 0.062 4.402 4.340 -0.000 0.000 0.225 530 L C 0.547 177.438 176.870 0.035 0.000 1.128 530 L CA -0.102 54.750 54.840 0.020 0.000 0.868 530 L CB 0.208 42.273 42.059 0.009 0.000 1.006 530 L HN -0.221 nan 8.230 nan 0.000 0.454 531 V N 1.174 121.112 119.914 0.039 0.000 2.599 531 V HA -0.081 4.039 4.120 -0.000 0.000 0.300 531 V C 0.381 176.508 176.094 0.054 0.000 1.034 531 V CA 0.101 62.437 62.300 0.059 0.000 1.115 531 V CB 0.760 32.625 31.823 0.069 0.000 0.934 531 V HN 0.130 nan 8.190 nan 0.000 0.485 532 D N 5.201 125.631 120.400 0.049 0.000 2.317 532 D HA 0.208 4.848 4.640 -0.000 0.000 0.252 532 D C 0.540 176.870 176.300 0.050 0.000 1.174 532 D CA -0.280 53.748 54.000 0.047 0.000 0.866 532 D CB 1.064 41.886 40.800 0.036 0.000 1.127 532 D HN 0.595 nan 8.370 nan 0.000 0.467 533 I N 0.954 121.561 120.570 0.062 0.000 3.762 533 I HA 0.198 4.368 4.170 -0.000 0.000 0.333 533 I C 0.396 176.547 176.117 0.057 0.000 1.566 533 I CA -0.746 60.590 61.300 0.060 0.000 1.129 533 I CB 0.137 38.194 38.000 0.096 0.000 1.218 533 I HN 0.066 nan 8.210 nan 0.000 0.456 534 S N 0.842 116.577 115.700 0.058 0.000 2.603 534 S HA 0.681 5.151 4.470 -0.000 0.000 0.268 534 S C -0.307 174.323 174.600 0.050 0.000 1.317 534 S CA -0.468 57.776 58.200 0.074 0.000 1.012 534 S CB 2.491 65.733 63.200 0.070 0.000 0.926 534 S HN 0.290 nan 8.310 nan 0.000 0.539 535 V N 0.497 120.458 119.914 0.077 0.000 3.048 535 V HA 0.570 4.690 4.120 -0.000 0.000 0.303 535 V C -1.460 174.703 176.094 0.115 0.000 1.214 535 V CA -0.673 61.648 62.300 0.035 0.000 0.984 535 V CB 2.052 33.834 31.823 -0.069 0.000 1.054 535 V HN 1.132 nan 8.190 nan 0.000 0.430 536 E N 5.404 125.648 120.200 0.074 0.000 2.183 536 E HA 0.688 5.038 4.350 -0.000 0.000 0.271 536 E C -1.143 175.501 176.600 0.074 0.000 0.919 536 E CA -0.734 55.737 56.400 0.118 0.000 0.781 536 E CB 1.780 31.520 29.700 0.067 0.000 1.140 536 E HN 0.760 nan 8.360 nan 0.000 0.402 537 M N 3.588 123.276 119.600 0.146 0.000 2.277 537 M HA 0.418 4.898 4.480 -0.000 0.000 0.282 537 M C -0.990 175.392 176.300 0.136 0.000 1.074 537 M CA -0.039 55.295 55.300 0.056 0.000 0.954 537 M CB 1.705 34.230 32.600 -0.125 0.000 1.672 537 M HN 0.755 nan 8.290 nan 0.000 0.471 538 A N 2.961 125.833 122.820 0.087 0.000 2.783 538 A HA -0.037 4.283 4.320 -0.000 0.000 0.292 538 A C 1.160 178.803 177.584 0.098 0.000 1.495 538 A CA 1.721 53.828 52.037 0.117 0.000 0.787 538 A CB -2.616 16.537 19.000 0.255 0.000 1.017 538 A HN 2.501 nan 8.150 nan 0.000 0.516 539 G N -3.136 105.707 108.800 0.073 0.000 2.179 539 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.260 539 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.260 539 G C 0.069 174.992 174.900 0.040 0.000 0.977 539 G CA 0.594 45.722 45.100 0.047 0.000 0.641 539 G HN 1.481 nan 8.290 nan 0.000 0.533 540 L N -0.062 121.205 121.223 0.074 0.000 2.325 540 L HA 0.571 4.911 4.340 -0.000 0.000 0.278 540 L C 0.438 177.300 176.870 -0.013 0.000 1.023 540 L CA -0.859 53.968 54.840 -0.022 0.000 0.811 540 L CB 1.666 43.681 42.059 -0.074 0.000 1.249 540 L HN -0.049 nan 8.230 nan 0.000 0.431 541 K N 2.750 123.068 120.400 -0.136 0.000 2.263 541 K HA 0.475 4.795 4.320 -0.000 0.000 0.272 541 K C -1.368 175.131 176.600 -0.168 0.000 1.033 541 K CA -0.372 55.887 56.287 -0.048 0.000 0.884 541 K CB 1.054 33.534 32.500 -0.034 0.000 1.107 541 K HN 0.211 nan 8.250 nan 0.000 0.460 542 F N 3.559 123.498 119.950 -0.020 0.000 2.415 542 F HA 0.234 4.761 4.527 0.000 0.000 0.348 542 F C 1.639 177.459 175.800 0.034 0.000 1.119 542 F CA -1.044 56.963 58.000 0.011 0.000 1.069 542 F CB 0.765 39.758 39.000 -0.012 0.000 1.124 542 F HN 0.465 nan 8.300 nan 0.000 0.472 543 I N 0.096 120.779 120.570 0.187 0.000 2.493 543 I HA -0.044 4.126 4.170 -0.000 0.000 0.254 543 I C -0.145 176.073 176.117 0.169 0.000 1.160 543 I CA 0.752 62.135 61.300 0.139 0.000 1.445 543 I CB -0.376 37.683 38.000 0.098 0.000 1.086 543 I HN 0.653 nan 8.210 nan 0.000 0.433 544 N N -0.508 118.336 118.700 0.240 0.000 2.591 544 N HA 0.366 5.106 4.740 -0.000 0.000 0.263 544 N C -2.597 173.039 175.510 0.211 0.000 1.308 544 N CA -1.664 51.514 53.050 0.213 0.000 0.837 544 N CB 0.985 39.633 38.487 0.268 0.000 1.548 544 N HN -0.285 nan 8.380 nan 0.000 0.493 545 P HA 0.127 nan 4.420 nan 0.000 0.245 545 P C -0.886 176.313 177.300 -0.167 0.000 1.212 545 P CA 0.384 63.347 63.100 -0.227 0.000 0.774 545 P CB -0.180 31.241 31.700 -0.465 0.000 0.999 546 F N 0.834 120.929 119.950 0.242 0.000 2.408 546 F HA 0.644 5.171 4.527 -0.000 0.000 0.344 546 F C 1.306 177.175 175.800 0.115 0.000 1.112 546 F CA -0.293 57.815 58.000 0.179 0.000 1.096 546 F CB 1.574 40.584 39.000 0.016 0.000 1.129 546 F HN -0.140 nan 8.300 nan 0.000 0.486 547 G N 2.533 111.263 108.800 -0.118 0.000 2.690 547 G HA2 0.636 4.596 3.960 -0.000 0.000 0.291 547 G HA3 0.636 4.596 3.960 -0.000 0.000 0.291 547 G C -1.765 172.878 174.900 -0.428 0.000 1.403 547 G CA -0.993 43.558 45.100 -0.916 0.000 0.864 547 G HN 0.524 nan 8.290 nan 0.000 0.480 548 L N 1.331 122.232 121.223 -0.537 0.000 2.290 548 L HA 0.542 4.882 4.340 -0.000 0.000 0.284 548 L C 1.120 177.851 176.870 -0.231 0.000 1.078 548 L CA -0.648 53.904 54.840 -0.479 0.000 0.815 548 L CB 1.316 43.023 42.059 -0.587 0.000 1.162 548 L HN 0.679 nan 8.230 nan 0.000 0.435 549 A N 2.622 125.363 122.820 -0.131 0.000 2.346 549 A HA 0.209 4.529 4.320 -0.000 0.000 0.252 549 A C 0.476 178.032 177.584 -0.047 0.000 1.089 549 A CA -0.272 51.741 52.037 -0.039 0.000 0.797 549 A CB 0.588 19.576 19.000 -0.020 0.000 1.047 549 A HN 0.641 nan 8.150 nan 0.000 0.494 550 S N 0.105 115.795 115.700 -0.017 0.000 2.437 550 S HA 0.494 4.964 4.470 -0.000 0.000 0.304 550 S C 0.157 174.733 174.600 -0.040 0.000 1.167 550 S CA 0.472 58.648 58.200 -0.041 0.000 1.106 550 S CB -1.214 61.966 63.200 -0.033 0.000 1.099 550 S HN 1.863 nan 8.310 nan 0.000 0.524 551 A N 4.164 126.957 122.820 -0.046 0.000 2.809 551 A HA 0.794 5.114 4.320 -0.000 0.000 0.310 551 A C 0.943 178.507 177.584 -0.033 0.000 1.138 551 A CA -0.090 51.923 52.037 -0.040 0.000 0.610 551 A CB -0.536 18.433 19.000 -0.052 0.000 1.432 551 A HN 1.184 nan 8.150 nan 0.000 0.597 552 A N -0.390 122.397 122.820 -0.055 0.000 1.917 552 A HA 0.030 4.350 4.320 -0.000 0.000 0.219 552 A C -0.485 177.074 177.584 -0.042 0.000 1.182 552 A CA 2.654 54.657 52.037 -0.057 0.000 0.633 552 A CB -1.842 17.090 19.000 -0.113 0.000 0.819 552 A HN 0.477 nan 8.150 nan 0.000 0.448 553 P HA -0.048 nan 4.420 nan 0.000 0.228 553 P C 0.730 178.071 177.300 0.069 0.000 1.151 553 P CA 1.692 64.784 63.100 -0.013 0.000 0.770 553 P CB -0.062 31.618 31.700 -0.033 0.000 0.786 554 T N -6.624 107.950 114.554 0.033 0.000 3.293 554 T HA 0.190 4.540 4.350 -0.000 0.000 0.276 554 T C 1.108 175.942 174.700 0.224 0.000 1.003 554 T CA -0.239 61.910 62.100 0.082 0.000 0.916 554 T CB -0.945 67.916 68.868 -0.011 0.000 1.134 554 T HN -0.168 nan 8.240 nan 0.000 0.530 555 T N 2.117 116.779 114.554 0.179 0.000 2.788 555 T HA 0.031 4.381 4.350 -0.000 0.000 0.268 555 T C 0.665 175.558 174.700 0.321 0.000 1.044 555 T CA 0.974 63.203 62.100 0.215 0.000 1.139 555 T CB -0.033 68.889 68.868 0.089 0.000 0.867 555 T HN 0.508 nan 8.240 nan 0.000 0.454 556 S N -0.123 115.729 115.700 0.253 0.000 2.548 556 S HA 0.351 4.821 4.470 -0.000 0.000 0.286 556 S C 1.167 175.866 174.600 0.166 0.000 1.098 556 S CA -0.651 57.645 58.200 0.160 0.000 0.930 556 S CB 2.027 65.263 63.200 0.060 0.000 1.070 556 S HN 0.371 nan 8.310 nan 0.000 0.480 557 S N 1.406 117.113 115.700 0.012 0.000 2.419 557 S HA -0.144 4.326 4.470 -0.000 0.000 0.233 557 S C 1.911 176.487 174.600 -0.041 0.000 1.016 557 S CA 1.356 59.541 58.200 -0.026 0.000 0.974 557 S CB -0.656 62.380 63.200 -0.273 0.000 0.786 557 S HN 0.797 nan 8.310 nan 0.000 0.492 558 S N 2.096 117.790 115.700 -0.011 0.000 2.399 558 S HA -0.021 4.449 4.470 -0.000 0.000 0.231 558 S C 1.880 176.475 174.600 -0.008 0.000 1.022 558 S CA 1.177 59.375 58.200 -0.002 0.000 0.983 558 S CB -0.714 62.499 63.200 0.023 0.000 0.803 558 S HN 0.532 nan 8.310 nan 0.000 0.480 559 M N 0.879 120.490 119.600 0.019 0.000 2.200 559 M HA 0.163 4.643 4.480 -0.000 0.000 0.265 559 M C 2.134 178.297 176.300 -0.228 0.000 1.066 559 M CA 1.278 56.619 55.300 0.070 0.000 1.127 559 M CB -0.537 32.179 32.600 0.193 0.000 1.379 559 M HN 0.267 nan 8.290 nan 0.000 0.420 560 I N -0.256 120.135 120.570 -0.298 0.000 2.286 560 I HA -0.297 3.873 4.170 -0.000 0.000 0.248 560 I C 2.685 178.298 176.117 -0.840 0.000 1.115 560 I CA 1.215 62.122 61.300 -0.656 0.000 1.392 560 I CB -0.473 37.221 38.000 -0.509 0.000 1.065 560 I HN 0.323 nan 8.210 nan 0.000 0.418 561 R N 1.369 121.597 120.500 -0.454 0.000 2.083 561 R HA -0.178 4.162 4.340 -0.000 0.000 0.237 561 R C 2.437 178.559 176.300 -0.296 0.000 1.137 561 R CA 1.593 57.498 56.100 -0.326 0.000 0.951 561 R CB -0.148 30.150 30.300 -0.003 0.000 0.851 561 R HN 0.257 nan 8.270 nan 0.000 0.434 562 R N -0.203 120.172 120.500 -0.208 0.000 2.115 562 R HA -0.055 4.285 4.340 -0.000 0.000 0.230 562 R C 2.305 178.444 176.300 -0.269 0.000 1.111 562 R CA 1.134 57.169 56.100 -0.109 0.000 0.976 562 R CB -0.236 30.098 30.300 0.056 0.000 0.870 562 R HN 0.306 nan 8.270 nan 0.000 0.445 563 A N 0.848 123.236 122.820 -0.719 0.000 1.898 563 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 563 A C 1.748 179.251 177.584 -0.134 0.000 1.181 563 A CA 1.089 52.627 52.037 -0.832 0.000 0.620 563 A CB -0.462 17.643 19.000 -1.491 0.000 0.819 563 A HN 0.145 nan 8.150 nan 0.000 0.442 564 F N 0.446 120.170 119.950 -0.377 0.000 2.186 564 F HA -0.070 4.457 4.527 -0.000 0.000 0.299 564 F C 2.342 178.038 175.800 -0.174 0.000 1.090 564 F CA 1.083 58.860 58.000 -0.372 0.000 1.307 564 F CB -1.011 37.374 39.000 -1.025 0.000 1.019 564 F HN 0.370 nan 8.300 nan 0.000 0.489 565 E N -0.213 120.021 120.200 0.057 0.000 2.153 565 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 565 E C 2.310 179.004 176.600 0.156 0.000 0.988 565 E CA 0.969 57.484 56.400 0.192 0.000 0.811 565 E CB -0.231 29.580 29.700 0.185 0.000 0.746 565 E HN 0.309 nan 8.360 nan 0.000 0.466 566 A N -0.045 122.858 122.820 0.139 0.000 2.067 566 A HA 0.136 4.456 4.320 -0.000 0.000 0.217 566 A C 1.838 179.484 177.584 0.102 0.000 1.156 566 A CA 1.265 53.387 52.037 0.142 0.000 0.683 566 A CB -0.001 19.127 19.000 0.212 0.000 0.808 566 A HN 0.373 nan 8.150 nan 0.000 0.455 567 G N -3.605 105.282 108.800 0.146 0.000 2.227 567 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.168 567 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.168 567 G C -0.227 174.733 174.900 0.100 0.000 1.006 567 G CA -0.363 44.791 45.100 0.088 0.000 0.684 567 G HN 0.294 nan 8.290 nan 0.000 0.489 568 W N 1.097 122.452 121.300 0.092 0.000 2.257 568 W HA 0.453 5.113 4.660 0.000 0.000 0.337 568 W C 1.597 178.237 176.519 0.201 0.000 1.321 568 W CA 1.134 58.561 57.345 0.137 0.000 1.267 568 W CB 0.852 30.346 29.460 0.057 0.000 1.187 568 W HN 0.201 nan 8.180 nan 0.000 0.565 569 G N 2.502 111.565 108.800 0.438 0.000 2.402 569 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.216 569 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.216 569 G C -0.135 175.084 174.900 0.532 0.000 1.162 569 G CA 0.938 46.301 45.100 0.439 0.000 0.777 569 G HN 0.503 nan 8.290 nan 0.000 0.539 570 F N -2.344 117.892 119.950 0.476 0.000 2.789 570 F HA 0.827 5.354 4.527 -0.000 0.000 0.319 570 F C -0.670 175.444 175.800 0.524 0.000 1.168 570 F CA -1.608 56.671 58.000 0.464 0.000 0.934 570 F CB 1.244 40.521 39.000 0.462 0.000 1.375 570 F HN 0.268 nan 8.300 nan 0.000 0.480 571 A N 1.554 124.701 122.820 0.545 0.000 2.589 571 A HA 0.682 5.002 4.320 -0.000 0.000 0.296 571 A C -2.375 175.355 177.584 0.244 0.000 1.062 571 A CA -0.728 51.401 52.037 0.152 0.000 0.686 571 A CB 1.609 20.523 19.000 -0.144 0.000 1.282 571 A HN 0.795 nan 8.150 nan 0.000 0.404 572 L N 2.151 123.440 121.223 0.110 0.000 2.322 572 L HA 0.585 4.925 4.340 -0.000 0.000 0.279 572 L C 1.139 177.994 176.870 -0.026 0.000 1.036 572 L CA -0.056 54.846 54.840 0.104 0.000 0.807 572 L CB 1.559 43.674 42.059 0.093 0.000 1.226 572 L HN 1.062 nan 8.230 nan 0.000 0.433 573 T N -0.048 114.456 114.554 -0.085 0.000 2.828 573 T HA 0.240 4.590 4.350 -0.000 0.000 0.290 573 T C 0.150 174.576 174.700 -0.456 0.000 1.019 573 T CA -0.718 61.142 62.100 -0.399 0.000 1.031 573 T CB 1.288 69.814 68.868 -0.570 0.000 1.001 573 T HN 0.410 nan 8.240 nan 0.000 0.531 574 K N 1.073 121.068 120.400 -0.674 0.000 2.414 574 K HA 0.170 4.490 4.320 -0.000 0.000 0.272 574 K C -0.032 176.356 176.600 -0.354 0.000 0.993 574 K CA 0.076 56.172 56.287 -0.317 0.000 0.964 574 K CB -0.238 32.224 32.500 -0.063 0.000 0.925 574 K HN 0.715 nan 8.250 nan 0.000 0.487 575 T N 5.238 119.691 114.554 -0.168 0.000 2.867 575 T HA 0.214 4.564 4.350 -0.000 0.000 0.297 575 T C -0.267 174.382 174.700 -0.085 0.000 0.989 575 T CA 0.311 62.314 62.100 -0.162 0.000 1.159 575 T CB -0.573 68.240 68.868 -0.091 0.000 0.928 575 T HN 0.443 nan 8.240 nan 0.000 0.538 576 F N 0.667 120.503 119.950 -0.189 0.000 2.631 576 F HA 0.882 5.409 4.527 -0.000 0.000 0.328 576 F C 0.108 175.879 175.800 -0.049 0.000 1.067 576 F CA -1.261 56.693 58.000 -0.077 0.000 0.969 576 F CB 1.326 40.317 39.000 -0.016 0.000 1.332 576 F HN 0.549 nan 8.300 nan 0.000 0.490 577 S N 0.781 116.611 115.700 0.216 0.000 2.794 577 S HA 0.697 5.167 4.470 -0.000 0.000 0.299 577 S C -1.022 173.656 174.600 0.130 0.000 1.179 577 S CA -1.126 57.097 58.200 0.038 0.000 0.838 577 S CB 1.030 64.200 63.200 -0.050 0.000 1.206 577 S HN 0.861 nan 8.310 nan 0.000 0.523 578 L N 1.576 122.809 121.223 0.017 0.000 2.452 578 L HA 0.244 4.584 4.340 -0.000 0.000 0.267 578 L C 0.995 177.887 176.870 0.038 0.000 1.188 578 L CA -0.460 54.399 54.840 0.031 0.000 0.821 578 L CB 0.113 42.154 42.059 -0.030 0.000 1.102 578 L HN 0.712 nan 8.230 nan 0.000 0.470 579 D N 0.814 121.239 120.400 0.041 0.000 2.133 579 D HA -0.209 4.431 4.640 -0.000 0.000 0.195 579 D C 1.882 178.192 176.300 0.016 0.000 0.997 579 D CA 1.681 55.701 54.000 0.033 0.000 0.840 579 D CB -0.005 40.810 40.800 0.025 0.000 0.947 579 D HN 0.554 nan 8.370 nan 0.000 0.452 580 K N 0.152 120.554 120.400 0.003 0.000 2.360 580 K HA -0.091 4.229 4.320 -0.000 0.000 0.201 580 K C 0.363 176.959 176.600 -0.006 0.000 1.046 580 K CA 1.111 57.395 56.287 -0.005 0.000 0.945 580 K CB 0.167 32.659 32.500 -0.013 0.000 0.750 580 K HN -0.002 nan 8.250 nan 0.000 0.464 581 D N 1.189 121.585 120.400 -0.007 0.000 2.388 581 D HA 0.116 4.756 4.640 -0.000 0.000 0.221 581 D C 0.292 176.597 176.300 0.009 0.000 1.133 581 D CA -0.282 53.713 54.000 -0.009 0.000 0.831 581 D CB 0.108 40.886 40.800 -0.035 0.000 0.962 581 D HN 0.264 nan 8.370 nan 0.000 0.502 582 I N 2.102 122.683 120.570 0.019 0.000 2.906 582 I HA -0.126 4.044 4.170 -0.000 0.000 0.302 582 I C 0.198 176.327 176.117 0.021 0.000 1.220 582 I CA 0.143 61.460 61.300 0.029 0.000 1.441 582 I CB 0.432 38.447 38.000 0.024 0.000 1.336 582 I HN -0.215 nan 8.210 nan 0.000 0.565 583 V N 3.780 123.710 119.914 0.027 0.000 3.096 583 V HA 0.719 4.839 4.120 -0.000 0.000 0.319 583 V C -0.242 175.860 176.094 0.013 0.000 1.103 583 V CA -0.409 61.902 62.300 0.018 0.000 1.016 583 V CB 1.876 33.711 31.823 0.021 0.000 1.090 583 V HN 0.751 nan 8.190 nan 0.000 0.449 584 T N 2.609 117.166 114.554 0.006 0.000 2.949 584 T HA 0.439 4.789 4.350 -0.000 0.000 0.300 584 T C -0.472 174.226 174.700 -0.003 0.000 0.988 584 T CA -0.428 61.672 62.100 -0.000 0.000 0.993 584 T CB 0.790 69.656 68.868 -0.004 0.000 0.984 584 T HN 0.823 nan 8.240 nan 0.000 0.442 585 N N 1.619 120.316 118.700 -0.006 0.000 2.399 585 N HA 0.457 5.197 4.740 -0.000 0.000 0.250 585 N C 0.302 175.802 175.510 -0.017 0.000 1.272 585 N CA -0.273 52.770 53.050 -0.011 0.000 0.928 585 N CB 1.101 39.580 38.487 -0.013 0.000 1.158 585 N HN 0.525 nan 8.380 nan 0.000 0.463 586 V N -2.263 117.636 119.914 -0.025 0.000 3.177 586 V HA 0.890 5.010 4.120 -0.000 0.000 0.319 586 V C -0.090 175.981 176.094 -0.040 0.000 1.125 586 V CA -0.853 61.429 62.300 -0.029 0.000 1.029 586 V CB 1.554 33.357 31.823 -0.034 0.000 1.119 586 V HN 0.779 nan 8.190 nan 0.000 0.452 587 S N 0.230 115.906 115.700 -0.040 0.000 2.536 587 S HA 0.728 5.198 4.470 -0.000 0.000 0.271 587 S C -2.877 171.693 174.600 -0.052 0.000 1.134 587 S CA -0.993 57.178 58.200 -0.049 0.000 0.897 587 S CB 1.462 64.647 63.200 -0.025 0.000 1.094 587 S HN 1.045 nan 8.310 nan 0.000 0.473 588 P HA 0.416 nan 4.420 nan 0.000 0.272 588 P C -0.227 176.948 177.300 -0.209 0.000 1.230 588 P CA -0.561 62.439 63.100 -0.168 0.000 0.788 588 P CB 0.712 32.221 31.700 -0.318 0.000 0.949 589 R N 0.095 120.487 120.500 -0.179 0.000 2.551 589 R HA 0.418 4.758 4.340 -0.000 0.000 0.316 589 R C 0.038 176.260 176.300 -0.129 0.000 0.934 589 R CA -0.200 55.810 56.100 -0.150 0.000 1.117 589 R CB 0.125 30.371 30.300 -0.089 0.000 1.626 589 R HN 0.267 nan 8.270 nan 0.000 0.513 590 I N 2.732 123.229 120.570 -0.122 0.000 2.468 590 I HA 0.398 4.568 4.170 -0.000 0.000 0.285 590 I C -0.585 175.524 176.117 -0.013 0.000 1.039 590 I CA -1.401 59.866 61.300 -0.056 0.000 1.074 590 I CB 2.323 40.290 38.000 -0.055 0.000 1.228 590 I HN -0.041 nan 8.210 nan 0.000 0.436 591 V N 3.182 123.119 119.914 0.037 0.000 3.001 591 V HA 0.684 4.804 4.120 -0.000 0.000 0.314 591 V C -0.163 176.086 176.094 0.259 0.000 1.099 591 V CA -1.071 61.300 62.300 0.119 0.000 0.989 591 V CB 1.868 33.640 31.823 -0.085 0.000 1.040 591 V HN 0.873 nan 8.190 nan 0.000 0.434 592 R N 1.951 122.596 120.500 0.242 0.000 2.641 592 R HA 0.627 4.967 4.340 -0.000 0.000 0.269 592 R C 0.375 176.648 176.300 -0.044 0.000 1.074 592 R CA 0.173 56.285 56.100 0.020 0.000 1.133 592 R CB 0.313 30.617 30.300 0.006 0.000 1.029 592 R HN 1.160 nan 8.270 nan 0.000 0.488 593 G N -0.162 108.508 108.800 -0.216 0.000 2.503 593 G HA2 0.237 4.197 3.960 -0.000 0.000 0.257 593 G HA3 0.237 4.197 3.960 -0.000 0.000 0.257 593 G C 0.449 175.277 174.900 -0.120 0.000 1.214 593 G CA -0.472 44.549 45.100 -0.131 0.000 0.839 593 G HN 0.760 nan 8.290 nan 0.000 0.559 594 T N -2.618 111.896 114.554 -0.066 0.000 3.134 594 T HA 0.056 4.406 4.350 -0.000 0.000 0.260 594 T C 1.870 176.528 174.700 -0.069 0.000 1.027 594 T CA 0.602 62.660 62.100 -0.071 0.000 0.913 594 T CB -0.012 68.845 68.868 -0.019 0.000 1.046 594 T HN 0.551 nan 8.240 nan 0.000 0.553 595 T N 0.203 114.714 114.554 -0.071 0.000 3.051 595 T HA -0.020 4.330 4.350 -0.000 0.000 0.269 595 T C 1.498 176.161 174.700 -0.062 0.000 1.127 595 T CA 0.847 62.914 62.100 -0.056 0.000 1.107 595 T CB -0.501 68.338 68.868 -0.048 0.000 0.898 595 T HN 0.567 nan 8.240 nan 0.000 0.517 596 S N -0.603 115.045 115.700 -0.087 0.000 2.941 596 S HA 0.614 5.084 4.470 -0.000 0.000 0.251 596 S C 0.852 175.396 174.600 -0.093 0.000 1.029 596 S CA -0.228 57.924 58.200 -0.080 0.000 1.062 596 S CB -0.002 63.149 63.200 -0.082 0.000 0.977 596 S HN 1.218 nan 8.310 nan 0.000 0.552 597 G N 2.802 111.544 108.800 -0.097 0.000 2.760 597 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.246 597 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.246 597 G C -2.809 171.990 174.900 -0.168 0.000 1.359 597 G CA -0.486 44.555 45.100 -0.099 0.000 0.861 597 G HN 0.321 nan 8.290 nan 0.000 0.541 598 P HA 0.253 nan 4.420 nan 0.000 0.226 598 P C -0.302 176.868 177.300 -0.215 0.000 1.783 598 P CA 0.287 63.277 63.100 -0.184 0.000 0.980 598 P CB -0.106 31.628 31.700 0.058 0.000 1.967 599 M N 2.095 121.473 119.600 -0.370 0.000 2.114 599 M HA 0.323 4.803 4.480 -0.000 0.000 0.332 599 M C -0.438 175.644 176.300 -0.362 0.000 1.014 599 M CA -0.697 54.478 55.300 -0.207 0.000 0.956 599 M CB 0.987 33.509 32.600 -0.130 0.000 1.551 599 M HN 0.030 nan 8.290 nan 0.000 0.427 600 Y N 0.433 120.720 120.300 -0.020 0.000 2.534 600 Y HA 0.786 5.336 4.550 -0.000 0.000 0.329 600 Y C 1.165 177.061 175.900 -0.007 0.000 1.154 600 Y CA 0.214 58.306 58.100 -0.014 0.000 1.192 600 Y CB 1.452 39.907 38.460 -0.009 0.000 1.275 600 Y HN 0.934 nan 8.280 nan 0.000 0.491 601 G N 0.696 109.592 108.800 0.160 0.000 2.475 601 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.223 601 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.223 601 G C -2.759 172.179 174.900 0.062 0.000 1.201 601 G CA -0.854 44.305 45.100 0.099 0.000 0.962 601 G HN 0.606 nan 8.290 nan 0.000 0.586 602 P HA 0.362 nan 4.420 nan 0.000 0.268 602 P C 0.858 178.173 177.300 0.025 0.000 1.208 602 P CA 1.932 65.056 63.100 0.041 0.000 0.777 602 P CB 0.202 31.920 31.700 0.030 0.000 0.875 603 G N 1.023 109.846 108.800 0.038 0.000 2.338 603 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.296 603 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.296 603 G C 0.144 175.021 174.900 -0.039 0.000 1.040 603 G CA -0.276 44.837 45.100 0.021 0.000 1.004 603 G HN 0.604 nan 8.290 nan 0.000 0.509 604 Q N 0.174 119.919 119.800 -0.092 0.000 2.300 604 Q HA 0.240 4.580 4.340 -0.000 0.000 0.280 604 Q C 1.852 177.710 176.000 -0.237 0.000 1.033 604 Q CA 0.714 56.363 55.803 -0.256 0.000 0.903 604 Q CB 0.986 29.392 28.738 -0.553 0.000 1.195 604 Q HN 0.751 nan 8.270 nan 0.000 0.386 605 S N 0.620 116.203 115.700 -0.195 0.000 2.547 605 S HA -0.002 4.468 4.470 -0.000 0.000 0.235 605 S C 0.643 175.169 174.600 -0.123 0.000 0.980 605 S CA 0.473 58.602 58.200 -0.118 0.000 0.941 605 S CB 0.003 63.150 63.200 -0.088 0.000 0.763 605 S HN 0.653 nan 8.310 nan 0.000 0.532 606 S N -1.158 114.387 115.700 -0.259 0.000 2.645 606 S HA 0.686 5.156 4.470 -0.000 0.000 0.268 606 S C -1.621 172.729 174.600 -0.417 0.000 1.110 606 S CA -1.176 56.914 58.200 -0.183 0.000 0.823 606 S CB 0.052 63.217 63.200 -0.059 0.000 1.091 606 S HN 0.178 nan 8.310 nan 0.000 0.466 607 F N 0.041 120.002 119.950 0.018 0.000 2.613 607 F HA 0.807 5.334 4.527 0.000 0.000 0.314 607 F C -0.665 175.141 175.800 0.010 0.000 1.075 607 F CA -0.857 57.152 58.000 0.016 0.000 0.945 607 F CB 2.053 41.060 39.000 0.012 0.000 1.310 607 F HN 0.790 nan 8.300 nan 0.000 0.467 608 L N 2.708 124.056 121.223 0.208 0.000 2.386 608 L HA 0.658 4.998 4.340 -0.000 0.000 0.271 608 L C -1.474 175.437 176.870 0.068 0.000 0.993 608 L CA -0.371 54.533 54.840 0.106 0.000 0.819 608 L CB 1.778 43.875 42.059 0.063 0.000 1.294 608 L HN 0.850 nan 8.230 nan 0.000 0.414 609 N N 3.705 122.428 118.700 0.039 0.000 2.242 609 N HA 0.490 5.230 4.740 -0.000 0.000 0.292 609 N C -0.590 174.916 175.510 -0.006 0.000 1.125 609 N CA -0.879 52.171 53.050 -0.001 0.000 0.783 609 N CB 1.703 40.186 38.487 -0.007 0.000 1.558 609 N HN 0.618 nan 8.380 nan 0.000 0.472 610 I N -2.671 117.880 120.570 -0.031 0.000 3.424 610 I HA 0.426 4.596 4.170 -0.000 0.000 0.339 610 I C -0.043 176.060 176.117 -0.023 0.000 1.549 610 I CA -0.626 60.661 61.300 -0.022 0.000 1.049 610 I CB 0.075 38.050 38.000 -0.042 0.000 1.439 610 I HN 0.564 nan 8.210 nan 0.000 0.500 611 E N 1.838 122.026 120.200 -0.020 0.000 2.349 611 E HA 0.480 4.830 4.350 -0.000 0.000 0.265 611 E C -0.544 176.055 176.600 -0.002 0.000 1.064 611 E CA -0.491 55.900 56.400 -0.016 0.000 0.886 611 E CB 1.317 31.005 29.700 -0.020 0.000 1.036 611 E HN 0.457 nan 8.360 nan 0.000 0.413 612 L N 3.246 124.471 121.223 0.003 0.000 2.874 612 L HA 0.448 4.788 4.340 -0.000 0.000 0.229 612 L C 1.014 177.895 176.870 0.018 0.000 1.200 612 L CA -1.102 53.745 54.840 0.012 0.000 0.976 612 L CB 0.082 42.149 42.059 0.013 0.000 1.887 612 L HN 0.621 nan 8.230 nan 0.000 0.543 613 I N -2.373 118.211 120.570 0.024 0.000 3.394 613 I HA 0.182 4.352 4.170 -0.000 0.000 0.264 613 I C 0.778 176.932 176.117 0.061 0.000 1.184 613 I CA -0.386 60.932 61.300 0.029 0.000 0.890 613 I CB 0.556 38.567 38.000 0.019 0.000 1.619 613 I HN 0.428 nan 8.210 nan 0.000 0.820 614 S N 0.157 115.918 115.700 0.101 0.000 2.552 614 S HA -0.011 4.459 4.470 -0.000 0.000 0.289 614 S C 0.757 175.457 174.600 0.167 0.000 1.304 614 S CA -0.028 58.287 58.200 0.193 0.000 1.063 614 S CB 0.092 63.522 63.200 0.383 0.000 0.848 614 S HN 0.702 nan 8.310 nan 0.000 0.499 615 E N 2.374 122.645 120.200 0.119 0.000 2.478 615 E HA 0.064 4.414 4.350 -0.000 0.000 0.194 615 E C 0.046 176.666 176.600 0.032 0.000 1.045 615 E CA 0.307 56.740 56.400 0.056 0.000 0.868 615 E CB 0.290 29.996 29.700 0.010 0.000 0.885 615 E HN 0.535 nan 8.360 nan 0.000 0.505 616 K N 1.563 122.006 120.400 0.072 0.000 2.144 616 K HA 0.132 4.452 4.320 -0.000 0.000 0.270 616 K C 0.337 177.004 176.600 0.112 0.000 1.005 616 K CA -0.273 55.963 56.287 -0.085 0.000 0.932 616 K CB 1.214 33.424 32.500 -0.484 0.000 1.021 616 K HN -0.022 nan 8.250 nan 0.000 0.462 617 T N -1.402 113.166 114.554 0.023 0.000 2.813 617 T HA 0.143 4.493 4.350 -0.000 0.000 0.297 617 T C 1.324 176.112 174.700 0.147 0.000 1.036 617 T CA -0.257 61.906 62.100 0.105 0.000 1.044 617 T CB 1.268 70.162 68.868 0.044 0.000 0.993 617 T HN 0.584 nan 8.240 nan 0.000 0.535 618 A N 1.418 124.320 122.820 0.137 0.000 1.972 618 A HA 0.207 4.527 4.320 -0.000 0.000 0.219 618 A C 2.631 180.173 177.584 -0.070 0.000 1.169 618 A CA 1.629 53.672 52.037 0.012 0.000 0.635 618 A CB -1.456 17.684 19.000 0.234 0.000 0.810 618 A HN 1.238 nan 8.150 nan 0.000 0.446 619 A N -1.223 121.598 122.820 0.003 0.000 1.902 619 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 619 A C 2.119 179.669 177.584 -0.057 0.000 1.181 619 A CA 1.601 53.628 52.037 -0.016 0.000 0.623 619 A CB -0.807 18.196 19.000 0.005 0.000 0.818 619 A HN 0.783 nan 8.150 nan 0.000 0.443 620 Y N -1.213 118.966 120.300 -0.202 0.000 2.145 620 Y HA -0.253 4.297 4.550 -0.000 0.000 0.286 620 Y C 2.146 177.804 175.900 -0.404 0.000 1.145 620 Y CA 1.930 59.836 58.100 -0.323 0.000 1.148 620 Y CB -0.523 37.674 38.460 -0.439 0.000 0.981 620 Y HN 0.423 nan 8.280 nan 0.000 0.507 621 W N -0.627 120.507 121.300 -0.276 0.000 2.358 621 W HA -0.187 4.473 4.660 -0.000 0.000 0.303 621 W C 2.693 178.949 176.519 -0.438 0.000 1.208 621 W CA 1.278 58.322 57.345 -0.501 0.000 1.274 621 W CB -0.773 28.112 29.460 -0.958 0.000 1.138 621 W HN 0.115 nan 8.180 nan 0.000 0.515 622 C N -1.121 118.079 119.300 -0.166 0.000 2.453 622 C HA -0.204 4.256 4.460 -0.000 0.000 0.277 622 C C 2.645 177.598 174.990 -0.062 0.000 1.262 622 C CA 1.272 60.258 59.018 -0.053 0.000 1.718 622 C CB -1.294 26.439 27.740 -0.012 0.000 2.031 622 C HN 0.425 nan 8.230 nan 0.000 0.480 623 Q N 0.777 120.501 119.800 -0.127 0.000 2.124 623 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 623 Q C 2.230 178.133 176.000 -0.161 0.000 0.977 623 Q CA 1.826 57.553 55.803 -0.126 0.000 0.850 623 Q CB -0.087 28.563 28.738 -0.146 0.000 0.901 623 Q HN 0.623 nan 8.270 nan 0.000 0.429 624 S N -0.238 115.284 115.700 -0.296 0.000 2.368 624 S HA -0.129 4.341 4.470 -0.000 0.000 0.225 624 S C 1.938 176.503 174.600 -0.058 0.000 1.030 624 S CA 1.272 59.297 58.200 -0.291 0.000 0.999 624 S CB -0.210 62.639 63.200 -0.586 0.000 0.844 624 S HN 0.258 nan 8.310 nan 0.000 0.459 625 V N 1.717 121.645 119.914 0.024 0.000 2.343 625 V HA -0.188 3.932 4.120 -0.000 0.000 0.247 625 V C 2.492 178.642 176.094 0.092 0.000 1.051 625 V CA 2.084 64.453 62.300 0.114 0.000 1.036 625 V CB -1.306 30.606 31.823 0.149 0.000 0.654 625 V HN 0.517 nan 8.190 nan 0.000 0.451 626 T N -0.320 114.262 114.554 0.046 0.000 2.746 626 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 626 T C 1.789 176.516 174.700 0.046 0.000 1.039 626 T CA 1.792 63.916 62.100 0.041 0.000 1.142 626 T CB -0.230 68.647 68.868 0.014 0.000 0.866 626 T HN 0.619 nan 8.240 nan 0.000 0.444 627 E N 0.790 121.007 120.200 0.028 0.000 2.051 627 E HA -0.040 4.310 4.350 -0.000 0.000 0.192 627 E C 2.272 178.945 176.600 0.120 0.000 0.991 627 E CA 0.862 57.287 56.400 0.041 0.000 0.799 627 E CB -0.311 29.392 29.700 0.005 0.000 0.748 627 E HN 0.386 nan 8.360 nan 0.000 0.449 628 L N 0.904 122.232 121.223 0.175 0.000 2.046 628 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 628 L C 2.376 179.466 176.870 0.367 0.000 1.077 628 L CA 0.925 55.976 54.840 0.353 0.000 0.747 628 L CB -0.319 41.935 42.059 0.325 0.000 0.896 628 L HN 0.011 nan 8.230 nan 0.000 0.432 629 K N 0.082 120.615 120.400 0.223 0.000 2.211 629 K HA -0.038 4.282 4.320 -0.000 0.000 0.203 629 K C 2.113 178.771 176.600 0.096 0.000 1.050 629 K CA 1.279 57.661 56.287 0.158 0.000 0.945 629 K CB -0.387 32.179 32.500 0.110 0.000 0.732 629 K HN 0.276 nan 8.250 nan 0.000 0.451 630 A N 1.553 124.417 122.820 0.073 0.000 1.897 630 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 630 A C 1.539 179.100 177.584 -0.038 0.000 1.181 630 A CA 1.674 53.720 52.037 0.015 0.000 0.620 630 A CB -0.180 18.825 19.000 0.008 0.000 0.821 630 A HN 0.157 nan 8.150 nan 0.000 0.443 631 D N -1.643 118.724 120.400 -0.054 0.000 2.305 631 D HA 0.108 4.748 4.640 -0.000 0.000 0.206 631 D C -0.453 175.463 176.300 -0.640 0.000 0.974 631 D CA 0.718 54.521 54.000 -0.328 0.000 0.871 631 D CB 0.033 40.608 40.800 -0.375 0.000 0.947 631 D HN 0.432 nan 8.370 nan 0.000 0.516 632 F N 0.653 120.624 119.950 0.036 0.000 2.584 632 F HA 0.257 4.784 4.527 -0.000 0.000 0.328 632 F C -1.644 174.105 175.800 -0.085 0.000 1.407 632 F CA -1.759 56.222 58.000 -0.032 0.000 1.145 632 F CB 1.625 40.593 39.000 -0.054 0.000 1.440 632 F HN -0.198 nan 8.300 nan 0.000 0.580 633 P HA -0.170 nan 4.420 nan 0.000 0.219 633 P C 0.549 177.833 177.300 -0.027 0.000 1.146 633 P CA 1.556 64.657 63.100 0.001 0.000 0.808 633 P CB 0.474 32.164 31.700 -0.017 0.000 0.779 634 D N -0.882 119.499 120.400 -0.032 0.000 2.350 634 D HA 0.036 4.676 4.640 -0.000 0.000 0.213 634 D C 0.147 176.373 176.300 -0.124 0.000 1.031 634 D CA 0.321 54.285 54.000 -0.060 0.000 0.861 634 D CB -0.358 40.426 40.800 -0.027 0.000 0.926 634 D HN 0.270 nan 8.370 nan 0.000 0.520 635 N N 0.791 119.363 118.700 -0.212 0.000 2.438 635 N HA 0.160 4.900 4.740 -0.000 0.000 0.282 635 N C -0.180 175.135 175.510 -0.324 0.000 1.037 635 N CA -0.410 52.363 53.050 -0.460 0.000 0.942 635 N CB 1.572 39.280 38.487 -1.297 0.000 1.136 635 N HN -0.127 nan 8.380 nan 0.000 0.481 636 I N 2.385 122.851 120.570 -0.173 0.000 2.471 636 I HA 0.122 4.292 4.170 -0.000 0.000 0.286 636 I C -0.105 176.143 176.117 0.219 0.000 1.079 636 I CA -0.267 60.991 61.300 -0.070 0.000 1.398 636 I CB 0.391 38.182 38.000 -0.348 0.000 1.403 636 I HN 0.207 nan 8.210 nan 0.000 0.530 637 V N 8.226 128.265 119.914 0.209 0.000 2.378 637 V HA 0.452 4.572 4.120 -0.000 0.000 0.288 637 V C 0.144 176.388 176.094 0.250 0.000 1.016 637 V CA -0.529 61.959 62.300 0.313 0.000 0.840 637 V CB 1.954 33.959 31.823 0.302 0.000 0.994 637 V HN 0.419 nan 8.190 nan 0.000 0.431 638 I N 4.107 124.849 120.570 0.286 0.000 2.378 638 I HA 0.647 4.817 4.170 -0.000 0.000 0.291 638 I C 0.484 176.722 176.117 0.202 0.000 0.992 638 I CA -0.614 60.839 61.300 0.254 0.000 1.154 638 I CB 1.864 40.059 38.000 0.325 0.000 1.315 638 I HN 0.643 nan 8.210 nan 0.000 0.448 639 A N 4.688 127.616 122.820 0.180 0.000 2.309 639 A HA 0.438 4.758 4.320 -0.000 0.000 0.290 639 A C 0.090 177.691 177.584 0.029 0.000 1.206 639 A CA -0.219 51.920 52.037 0.170 0.000 0.850 639 A CB 0.677 19.839 19.000 0.269 0.000 1.118 639 A HN 0.651 nan 8.150 nan 0.000 0.523 640 S N 2.769 118.425 115.700 -0.072 0.000 2.475 640 S HA 0.639 5.109 4.470 -0.000 0.000 0.281 640 S C -0.159 174.179 174.600 -0.436 0.000 1.198 640 S CA -0.557 57.556 58.200 -0.145 0.000 1.063 640 S CB -0.384 62.755 63.200 -0.101 0.000 0.972 640 S HN 0.796 nan 8.310 nan 0.000 0.486 641 I N 2.259 122.630 120.570 -0.332 0.000 2.934 641 I HA 0.730 4.900 4.170 -0.000 0.000 0.306 641 I C -0.931 175.052 176.117 -0.222 0.000 1.110 641 I CA -1.213 59.787 61.300 -0.500 0.000 1.019 641 I CB 2.307 40.017 38.000 -0.483 0.000 1.227 641 I HN 0.672 nan 8.210 nan 0.000 0.434 642 M N 4.320 123.690 119.600 -0.384 0.000 2.371 642 M HA 0.673 5.153 4.480 -0.000 0.000 0.287 642 M C -2.063 173.823 176.300 -0.690 0.000 1.149 642 M CA -0.009 55.052 55.300 -0.398 0.000 0.929 642 M CB 1.960 34.483 32.600 -0.129 0.000 1.683 642 M HN 0.947 nan 8.290 nan 0.000 0.470 643 C N 0.821 119.451 119.300 -1.116 0.000 3.080 643 C HA 0.803 5.263 4.460 -0.000 0.000 0.307 643 C C 0.330 175.109 174.990 -0.352 0.000 1.311 643 C CA -0.692 57.773 59.018 -0.920 0.000 1.533 643 C CB 2.232 29.011 27.740 -1.601 0.000 1.970 643 C HN 0.984 nan 8.230 nan 0.000 0.467 644 S N 0.028 115.652 115.700 -0.127 0.000 2.641 644 S HA 0.257 4.727 4.470 -0.000 0.000 0.261 644 S C -0.433 174.388 174.600 0.368 0.000 1.257 644 S CA -0.158 58.127 58.200 0.141 0.000 0.983 644 S CB -0.027 63.237 63.200 0.108 0.000 0.990 644 S HN 0.724 nan 8.310 nan 0.000 0.572 645 Y N 2.493 123.004 120.300 0.352 0.000 2.518 645 Y HA 0.342 4.892 4.550 0.000 0.000 0.337 645 Y C -0.090 176.065 175.900 0.425 0.000 1.261 645 Y CA -0.347 58.045 58.100 0.487 0.000 1.856 645 Y CB -1.107 37.584 38.460 0.385 0.000 1.798 645 Y HN 0.755 nan 8.280 nan 0.000 0.440 646 N N 2.758 121.580 118.700 0.204 0.000 2.454 646 N HA 0.154 4.894 4.740 -0.000 0.000 0.291 646 N C 0.458 175.734 175.510 -0.389 0.000 1.079 646 N CA -0.632 52.331 53.050 -0.146 0.000 0.893 646 N CB 1.354 39.795 38.487 -0.075 0.000 1.512 646 N HN 0.426 nan 8.380 nan 0.000 0.497 647 K N 2.706 122.442 120.400 -1.106 0.000 2.009 647 K HA -0.128 4.192 4.320 -0.000 0.000 0.210 647 K C 0.776 177.046 176.600 -0.550 0.000 1.049 647 K CA 1.511 56.935 56.287 -1.438 0.000 0.929 647 K CB 0.005 31.486 32.500 -1.699 0.000 0.714 647 K HN 0.528 nan 8.250 nan 0.000 0.440 648 N N 1.341 119.812 118.700 -0.382 0.000 2.149 648 N HA -0.158 4.582 4.740 -0.000 0.000 0.188 648 N C 1.302 176.731 175.510 -0.135 0.000 1.019 648 N CA 1.476 54.400 53.050 -0.209 0.000 0.857 648 N CB -0.427 37.961 38.487 -0.164 0.000 0.997 648 N HN 0.313 nan 8.380 nan 0.000 0.426 649 D N -0.109 120.204 120.400 -0.145 0.000 2.084 649 D HA -0.117 4.523 4.640 -0.000 0.000 0.196 649 D C 1.908 178.134 176.300 -0.123 0.000 0.985 649 D CA 0.753 54.664 54.000 -0.149 0.000 0.826 649 D CB -0.570 40.103 40.800 -0.211 0.000 0.978 649 D HN 0.334 nan 8.370 nan 0.000 0.456 650 W N 0.930 122.188 121.300 -0.071 0.000 2.338 650 W HA -0.103 4.557 4.660 -0.000 0.000 0.304 650 W C 2.662 179.150 176.519 -0.051 0.000 1.212 650 W CA 0.745 58.078 57.345 -0.020 0.000 1.264 650 W CB -0.297 29.229 29.460 0.110 0.000 1.142 650 W HN -0.047 nan 8.180 nan 0.000 0.512 651 M N -0.653 119.035 119.600 0.146 0.000 2.175 651 M HA -0.188 4.292 4.480 -0.000 0.000 0.264 651 M C 2.091 178.408 176.300 0.028 0.000 1.063 651 M CA 1.630 56.966 55.300 0.059 0.000 1.119 651 M CB -0.663 31.931 32.600 -0.009 0.000 1.377 651 M HN 0.071 nan 8.290 nan 0.000 0.415 652 E N 0.738 120.938 120.200 -0.000 0.000 2.028 652 E HA -0.224 4.125 4.350 -0.000 0.000 0.191 652 E C 1.972 178.581 176.600 0.015 0.000 0.988 652 E CA 1.120 57.518 56.400 -0.004 0.000 0.799 652 E CB 0.015 29.699 29.700 -0.026 0.000 0.755 652 E HN 0.270 nan 8.360 nan 0.000 0.447 653 L N 1.103 122.323 121.223 -0.004 0.000 2.056 653 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 653 L C 2.516 179.413 176.870 0.045 0.000 1.078 653 L CA 2.391 57.235 54.840 0.007 0.000 0.749 653 L CB -0.796 41.198 42.059 -0.108 0.000 0.901 653 L HN 0.216 nan 8.230 nan 0.000 0.433 654 S N -0.907 114.825 115.700 0.054 0.000 2.382 654 S HA -0.231 4.239 4.470 -0.000 0.000 0.228 654 S C 2.164 176.796 174.600 0.054 0.000 1.027 654 S CA 1.129 59.361 58.200 0.054 0.000 0.991 654 S CB -0.623 62.601 63.200 0.039 0.000 0.823 654 S HN 0.498 nan 8.310 nan 0.000 0.469 655 R N 1.207 121.736 120.500 0.048 0.000 2.092 655 R HA 0.089 4.429 4.340 -0.000 0.000 0.231 655 R C 2.603 178.942 176.300 0.065 0.000 1.119 655 R CA 1.330 57.458 56.100 0.047 0.000 0.970 655 R CB -0.243 30.076 30.300 0.033 0.000 0.864 655 R HN 0.476 nan 8.270 nan 0.000 0.440 656 K N 0.461 120.910 120.400 0.081 0.000 2.057 656 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 656 K C 1.972 178.658 176.600 0.144 0.000 1.050 656 K CA 1.378 57.728 56.287 0.104 0.000 0.935 656 K CB -0.038 32.537 32.500 0.125 0.000 0.715 656 K HN 0.151 nan 8.250 nan 0.000 0.439 657 A N 1.380 124.312 122.820 0.186 0.000 1.898 657 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 657 A C 1.997 179.674 177.584 0.155 0.000 1.181 657 A CA 1.716 53.897 52.037 0.240 0.000 0.620 657 A CB -0.534 18.613 19.000 0.245 0.000 0.819 657 A HN 0.575 nan 8.150 nan 0.000 0.442 658 E N 0.064 120.329 120.200 0.108 0.000 2.077 658 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 658 E C 2.025 178.669 176.600 0.073 0.000 0.989 658 E CA 1.069 57.518 56.400 0.081 0.000 0.800 658 E CB -0.274 29.461 29.700 0.060 0.000 0.746 658 E HN 0.507 nan 8.360 nan 0.000 0.452 659 A N 0.881 123.743 122.820 0.069 0.000 2.070 659 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 659 A C 2.250 179.869 177.584 0.057 0.000 1.159 659 A CA 1.673 53.743 52.037 0.055 0.000 0.656 659 A CB -0.615 18.414 19.000 0.049 0.000 0.800 659 A HN 0.441 nan 8.150 nan 0.000 0.453 660 S N -1.903 113.842 115.700 0.076 0.000 2.515 660 S HA 0.324 4.794 4.470 -0.000 0.000 0.231 660 S C 1.409 176.051 174.600 0.070 0.000 0.987 660 S CA 1.190 59.432 58.200 0.070 0.000 0.936 660 S CB -0.294 62.961 63.200 0.092 0.000 0.766 660 S HN 1.896 nan 8.310 nan 0.000 0.528 661 G N 0.461 109.305 108.800 0.073 0.000 2.148 661 G HA2 0.037 3.997 3.960 -0.000 0.000 0.203 661 G HA3 0.037 3.997 3.960 -0.000 0.000 0.203 661 G C 0.182 175.132 174.900 0.083 0.000 0.993 661 G CA -0.181 44.959 45.100 0.067 0.000 0.661 661 G HN 1.205 nan 8.290 nan 0.000 0.518 662 A N 0.237 123.120 122.820 0.104 0.000 2.498 662 A HA 0.484 4.804 4.320 -0.000 0.000 0.239 662 A C 1.298 178.936 177.584 0.089 0.000 1.068 662 A CA 0.906 53.016 52.037 0.121 0.000 0.766 662 A CB 0.289 19.378 19.000 0.148 0.000 1.003 662 A HN 0.238 nan 8.150 nan 0.000 0.497 663 D N 0.584 121.036 120.400 0.086 0.000 2.224 663 D HA 0.211 4.851 4.640 -0.000 0.000 0.205 663 D C 0.794 177.126 176.300 0.052 0.000 0.965 663 D CA 1.952 55.980 54.000 0.047 0.000 0.852 663 D CB 0.163 40.969 40.800 0.009 0.000 0.947 663 D HN 0.771 nan 8.370 nan 0.000 0.494 664 A N -0.555 122.316 122.820 0.087 0.000 2.564 664 A HA 0.621 4.941 4.320 -0.000 0.000 0.291 664 A C -1.725 175.912 177.584 0.089 0.000 1.102 664 A CA -0.670 51.396 52.037 0.049 0.000 0.660 664 A CB 0.707 19.740 19.000 0.056 0.000 1.283 664 A HN 0.021 nan 8.150 nan 0.000 0.430 665 L N 0.132 121.382 121.223 0.045 0.000 2.341 665 L HA 0.728 5.068 4.340 -0.000 0.000 0.267 665 L C -0.190 176.768 176.870 0.147 0.000 1.009 665 L CA -0.507 54.391 54.840 0.097 0.000 0.819 665 L CB 2.146 44.250 42.059 0.075 0.000 1.323 665 L HN 0.883 nan 8.230 nan 0.000 0.425 666 E N 1.804 122.103 120.200 0.165 0.000 2.218 666 E HA 0.425 4.775 4.350 -0.000 0.000 0.263 666 E C -1.675 175.020 176.600 0.159 0.000 0.879 666 E CA -0.839 55.690 56.400 0.214 0.000 0.762 666 E CB 1.694 31.519 29.700 0.209 0.000 1.166 666 E HN 0.307 nan 8.360 nan 0.000 0.415 667 L N 4.459 125.794 121.223 0.185 0.000 2.261 667 L HA 0.255 4.595 4.340 -0.000 0.000 0.289 667 L C 0.191 177.174 176.870 0.188 0.000 1.059 667 L CA -0.306 54.649 54.840 0.192 0.000 0.816 667 L CB 0.605 42.681 42.059 0.028 0.000 1.191 667 L HN 0.447 nan 8.230 nan 0.000 0.431 668 N N 4.253 123.090 118.700 0.227 0.000 2.411 668 N HA 0.140 4.880 4.740 -0.000 0.000 0.259 668 N C -0.084 175.569 175.510 0.240 0.000 1.103 668 N CA -0.108 53.043 53.050 0.168 0.000 0.954 668 N CB 0.809 39.353 38.487 0.096 0.000 1.085 668 N HN 0.549 nan 8.380 nan 0.000 0.485 669 L N 2.559 123.881 121.223 0.165 0.000 2.928 669 L HA 0.181 4.521 4.340 -0.000 0.000 0.236 669 L C 1.202 178.152 176.870 0.134 0.000 1.290 669 L CA -0.142 54.795 54.840 0.163 0.000 1.099 669 L CB -0.049 42.059 42.059 0.082 0.000 1.437 669 L HN 0.394 nan 8.230 nan 0.000 0.493 670 S N 0.287 116.065 115.700 0.130 0.000 2.558 670 S HA 0.165 4.635 4.470 -0.000 0.000 0.217 670 S C 1.247 175.911 174.600 0.107 0.000 0.975 670 S CA -0.033 58.226 58.200 0.098 0.000 0.912 670 S CB 0.147 63.392 63.200 0.075 0.000 0.776 670 S HN 0.482 nan 8.310 nan 0.000 0.526 671 A N 3.278 126.185 122.820 0.144 0.000 2.488 671 A HA 0.439 4.759 4.320 -0.000 0.000 0.249 671 A C -2.408 175.269 177.584 0.154 0.000 1.083 671 A CA -1.077 51.048 52.037 0.147 0.000 0.768 671 A CB -0.152 18.960 19.000 0.186 0.000 1.017 671 A HN 0.120 nan 8.150 nan 0.000 0.496 672 P HA 0.277 nan 4.420 nan 0.000 0.272 672 P C -0.431 176.990 177.300 0.201 0.000 1.240 672 P CA 0.329 63.507 63.100 0.130 0.000 0.791 672 P CB 0.422 32.174 31.700 0.088 0.000 0.978 673 H N -0.108 118.984 119.070 0.037 0.000 3.141 673 H HA 0.415 4.971 4.556 -0.000 0.000 0.309 673 H C -0.236 175.085 175.328 -0.012 0.000 1.083 673 H CA 0.606 56.666 56.048 0.019 0.000 1.466 673 H CB 0.594 30.343 29.762 -0.022 0.000 2.095 673 H HN 0.753 nan 8.280 nan 0.000 0.467 674 G N 3.176 111.750 108.800 -0.377 0.000 2.548 674 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.208 674 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.208 674 G C 0.410 175.266 174.900 -0.073 0.000 1.308 674 G CA 0.169 45.159 45.100 -0.182 0.000 0.924 674 G HN 0.538 nan 8.290 nan 0.000 0.540 675 M N -0.264 119.318 119.600 -0.028 0.000 2.556 675 M HA 0.379 4.859 4.480 -0.000 0.000 0.259 675 M C 2.079 178.383 176.300 0.007 0.000 1.175 675 M CA 2.077 57.370 55.300 -0.012 0.000 1.202 675 M CB 0.324 32.920 32.600 -0.008 0.000 1.298 675 M HN 2.122 nan 8.290 nan 0.000 0.492 676 G N 0.099 108.907 108.800 0.014 0.000 2.234 676 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.153 676 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.153 676 G C 0.464 175.375 174.900 0.017 0.000 1.013 676 G CA 0.264 45.377 45.100 0.021 0.000 0.712 676 G HN 0.449 nan 8.290 nan 0.000 0.491 677 E N 0.051 120.259 120.200 0.013 0.000 2.447 677 E HA 0.207 4.557 4.350 -0.000 0.000 0.204 677 E C 1.995 178.600 176.600 0.008 0.000 0.977 677 E CA -0.434 55.972 56.400 0.011 0.000 0.950 677 E CB 0.082 29.787 29.700 0.009 0.000 0.975 677 E HN 0.377 nan 8.360 nan 0.000 0.496 678 R N 0.169 120.675 120.500 0.010 0.000 2.416 678 R HA -0.033 4.307 4.340 -0.000 0.000 0.205 678 R C 1.133 177.434 176.300 0.002 0.000 1.150 678 R CA 0.627 56.731 56.100 0.007 0.000 1.139 678 R CB -0.507 29.799 30.300 0.009 0.000 0.861 678 R HN 0.332 nan 8.270 nan 0.000 0.480 679 G N 0.465 109.267 108.800 0.003 0.000 2.196 679 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.268 679 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.268 679 G C 0.514 175.412 174.900 -0.002 0.000 0.975 679 G CA 0.551 45.651 45.100 -0.000 0.000 0.648 679 G HN 0.405 nan 8.290 nan 0.000 0.538 680 M N 0.872 120.471 119.600 -0.001 0.000 2.959 680 M HA 0.433 4.913 4.480 -0.000 0.000 0.337 680 M C 1.476 177.779 176.300 0.004 0.000 1.220 680 M CA 0.379 55.676 55.300 -0.004 0.000 0.893 680 M CB 0.564 33.155 32.600 -0.015 0.000 1.322 680 M HN 0.943 nan 8.290 nan 0.000 0.519 681 G N 1.233 110.039 108.800 0.010 0.000 2.581 681 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.291 681 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.291 681 G C 0.246 175.165 174.900 0.031 0.000 1.277 681 G CA 0.294 45.406 45.100 0.020 0.000 0.959 681 G HN 0.491 nan 8.290 nan 0.000 0.554 682 L N 0.161 121.408 121.223 0.041 0.000 2.685 682 L HA 0.533 4.873 4.340 -0.000 0.000 0.235 682 L C 1.826 178.738 176.870 0.070 0.000 1.070 682 L CA 0.587 55.460 54.840 0.055 0.000 0.888 682 L CB -0.157 41.935 42.059 0.055 0.000 1.203 682 L HN 0.828 nan 8.230 nan 0.000 0.499 683 A N -0.635 122.221 122.820 0.059 0.000 2.340 683 A HA 0.170 4.490 4.320 -0.000 0.000 0.268 683 A C 1.217 178.826 177.584 0.041 0.000 1.100 683 A CA -0.398 51.678 52.037 0.066 0.000 0.803 683 A CB 0.579 19.616 19.000 0.062 0.000 1.043 683 A HN 0.288 nan 8.150 nan 0.000 0.488 684 C N 1.638 120.969 119.300 0.052 0.000 2.413 684 C HA -0.093 4.367 4.460 -0.000 0.000 0.277 684 C C 2.698 177.672 174.990 -0.028 0.000 1.265 684 C CA 1.392 60.400 59.018 -0.016 0.000 1.752 684 C CB -1.440 26.338 27.740 0.064 0.000 1.998 684 C HN 1.009 nan 8.230 nan 0.000 0.489 685 G N -0.772 108.039 108.800 0.017 0.000 2.586 685 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.215 685 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.215 685 G C 1.474 176.373 174.900 -0.003 0.000 1.128 685 G CA 0.308 45.413 45.100 0.009 0.000 0.774 685 G HN 0.737 nan 8.290 nan 0.000 0.543 686 Q N -0.600 119.196 119.800 -0.008 0.000 2.319 686 Q HA 0.099 4.439 4.340 -0.000 0.000 0.202 686 Q C -0.322 175.661 176.000 -0.029 0.000 0.896 686 Q CA -0.102 55.695 55.803 -0.010 0.000 0.942 686 Q CB 0.753 29.493 28.738 0.002 0.000 1.083 686 Q HN 0.240 nan 8.270 nan 0.000 0.510 687 D N 0.034 120.401 120.400 -0.055 0.000 2.471 687 D HA 0.162 4.802 4.640 -0.000 0.000 0.245 687 D C -2.155 174.089 176.300 -0.093 0.000 1.116 687 D CA -2.193 51.759 54.000 -0.079 0.000 0.853 687 D CB 1.955 42.683 40.800 -0.120 0.000 1.123 687 D HN -0.209 nan 8.370 nan 0.000 0.540 688 P HA -0.169 nan 4.420 nan 0.000 0.215 688 P C 1.130 178.371 177.300 -0.099 0.000 1.157 688 P CA 1.102 64.158 63.100 -0.074 0.000 0.874 688 P CB 0.447 32.112 31.700 -0.057 0.000 0.790 689 E N -0.397 119.740 120.200 -0.104 0.000 2.077 689 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 689 E C 1.885 178.388 176.600 -0.161 0.000 0.989 689 E CA 0.995 57.326 56.400 -0.115 0.000 0.800 689 E CB -0.519 29.125 29.700 -0.094 0.000 0.746 689 E HN 0.141 nan 8.360 nan 0.000 0.452 690 L N 0.093 121.183 121.223 -0.221 0.000 2.056 690 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 690 L C 2.540 179.282 176.870 -0.214 0.000 1.078 690 L CA 0.589 55.256 54.840 -0.289 0.000 0.749 690 L CB -0.415 41.351 42.059 -0.487 0.000 0.901 690 L HN 0.097 nan 8.230 nan 0.000 0.433 691 V N 0.087 119.890 119.914 -0.184 0.000 2.295 691 V HA -0.301 3.819 4.120 -0.000 0.000 0.246 691 V C 2.723 178.690 176.094 -0.213 0.000 1.049 691 V CA 1.919 64.115 62.300 -0.174 0.000 1.024 691 V CB -0.684 31.078 31.823 -0.101 0.000 0.648 691 V HN 0.456 nan 8.190 nan 0.000 0.447 692 R N 0.295 120.683 120.500 -0.186 0.000 2.083 692 R HA -0.188 4.152 4.340 -0.000 0.000 0.237 692 R C 2.221 178.339 176.300 -0.303 0.000 1.137 692 R CA 2.012 58.001 56.100 -0.185 0.000 0.951 692 R CB -0.280 29.936 30.300 -0.139 0.000 0.851 692 R HN 0.554 nan 8.270 nan 0.000 0.434 693 N N 0.633 119.082 118.700 -0.418 0.000 2.142 693 N HA -0.136 4.604 4.740 -0.000 0.000 0.186 693 N C 1.933 176.623 175.510 -1.367 0.000 1.023 693 N CA 1.348 53.927 53.050 -0.784 0.000 0.852 693 N CB -0.186 37.880 38.487 -0.701 0.000 0.998 693 N HN 0.302 nan 8.380 nan 0.000 0.424 694 I N 0.676 120.605 120.570 -1.069 0.000 2.226 694 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 694 I C 2.163 177.867 176.117 -0.689 0.000 1.100 694 I CA 0.840 61.525 61.300 -1.027 0.000 1.374 694 I CB -0.245 37.230 38.000 -0.876 0.000 1.057 694 I HN 0.134 nan 8.210 nan 0.000 0.413 695 C N 0.450 119.486 119.300 -0.440 0.000 2.425 695 C HA -0.114 4.346 4.460 -0.000 0.000 0.277 695 C C 2.894 177.825 174.990 -0.098 0.000 1.280 695 C CA 0.652 59.581 59.018 -0.148 0.000 1.744 695 C CB -1.229 26.566 27.740 0.091 0.000 1.989 695 C HN 0.408 nan 8.230 nan 0.000 0.491 696 R N -0.375 120.006 120.500 -0.198 0.000 2.081 696 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 696 R C 2.205 178.517 176.300 0.021 0.000 1.131 696 R CA 1.617 57.663 56.100 -0.088 0.000 0.960 696 R CB -0.327 29.887 30.300 -0.145 0.000 0.856 696 R HN 0.580 nan 8.270 nan 0.000 0.436 697 W N 0.332 121.550 121.300 -0.137 0.000 2.335 697 W HA -0.118 4.543 4.660 0.000 0.000 0.311 697 W C 2.146 178.568 176.519 -0.161 0.000 1.213 697 W CA 0.373 57.640 57.345 -0.131 0.000 1.274 697 W CB -1.178 28.197 29.460 -0.141 0.000 1.148 697 W HN -0.114 nan 8.180 nan 0.000 0.498 698 V N 0.856 120.721 119.914 -0.082 0.000 2.358 698 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 698 V C 2.527 178.438 176.094 -0.305 0.000 1.047 698 V CA 2.179 64.282 62.300 -0.329 0.000 1.035 698 V CB -0.894 30.417 31.823 -0.853 0.000 0.658 698 V HN -0.026 nan 8.190 nan 0.000 0.452 699 R N 0.787 121.187 120.500 -0.168 0.000 2.120 699 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 699 R C 2.194 178.547 176.300 0.090 0.000 1.123 699 R CA 1.903 58.098 56.100 0.159 0.000 0.975 699 R CB -0.754 29.721 30.300 0.292 0.000 0.866 699 R HN 0.638 nan 8.270 nan 0.000 0.446 700 Q N -1.178 118.659 119.800 0.062 0.000 2.245 700 Q HA 0.032 4.372 4.340 -0.000 0.000 0.201 700 Q C 1.445 177.470 176.000 0.040 0.000 0.955 700 Q CA 1.237 57.077 55.803 0.061 0.000 0.870 700 Q CB 0.036 28.825 28.738 0.084 0.000 0.945 700 Q HN 0.440 nan 8.270 nan 0.000 0.461 701 A N 0.124 122.958 122.820 0.023 0.000 1.997 701 A HA 0.178 4.498 4.320 -0.000 0.000 0.212 701 A C 0.826 178.419 177.584 0.015 0.000 1.178 701 A CA 0.662 52.708 52.037 0.015 0.000 0.698 701 A CB 0.272 19.280 19.000 0.013 0.000 0.842 701 A HN 0.270 nan 8.150 nan 0.000 0.458 702 V N -4.223 115.698 119.914 0.012 0.000 3.074 702 V HA 0.501 4.621 4.120 -0.000 0.000 0.314 702 V C 0.102 176.232 176.094 0.060 0.000 1.117 702 V CA -0.749 61.569 62.300 0.031 0.000 1.014 702 V CB 1.682 33.518 31.823 0.021 0.000 1.057 702 V HN 0.243 nan 8.190 nan 0.000 0.438 703 Q N 1.593 121.426 119.800 0.054 0.000 2.396 703 Q HA 0.311 4.651 4.340 -0.000 0.000 0.220 703 Q C 0.946 176.978 176.000 0.054 0.000 0.900 703 Q CA 0.644 56.479 55.803 0.053 0.000 0.925 703 Q CB 0.570 29.330 28.738 0.037 0.000 1.065 703 Q HN 0.928 nan 8.270 nan 0.000 0.535 704 I N 0.256 120.857 120.570 0.052 0.000 3.060 704 I HA 0.227 4.397 4.170 -0.000 0.000 0.285 704 I C -2.295 173.839 176.117 0.029 0.000 1.190 704 I CA -2.149 59.171 61.300 0.034 0.000 1.363 704 I CB -0.239 37.781 38.000 0.033 0.000 1.396 704 I HN -0.226 nan 8.210 nan 0.000 0.607 705 P HA 0.257 nan 4.420 nan 0.000 0.272 705 P C -1.118 175.971 177.300 -0.352 0.000 1.223 705 P CA 0.077 63.034 63.100 -0.238 0.000 0.784 705 P CB 0.378 31.919 31.700 -0.264 0.000 0.923 706 F N -0.121 119.427 119.950 -0.671 0.000 2.619 706 F HA 0.756 5.283 4.527 0.000 0.000 0.308 706 F C -1.880 173.446 175.800 -0.790 0.000 1.097 706 F CA -1.395 56.204 58.000 -0.669 0.000 0.953 706 F CB 1.054 39.895 39.000 -0.265 0.000 1.287 706 F HN 0.023 nan 8.300 nan 0.000 0.446 707 F N 1.881 121.908 119.950 0.128 0.000 2.532 707 F HA 0.801 5.328 4.527 0.000 0.000 0.321 707 F C 0.110 175.978 175.800 0.113 0.000 1.089 707 F CA -1.533 56.465 58.000 -0.003 0.000 0.926 707 F CB 1.963 40.928 39.000 -0.058 0.000 1.168 707 F HN 0.878 nan 8.300 nan 0.000 0.459 708 A N 2.690 125.656 122.820 0.242 0.000 2.276 708 A HA 0.468 4.788 4.320 -0.000 0.000 0.300 708 A C -0.185 177.479 177.584 0.133 0.000 1.235 708 A CA -0.717 51.424 52.037 0.174 0.000 0.867 708 A CB 0.345 19.425 19.000 0.133 0.000 1.137 708 A HN 0.765 nan 8.150 nan 0.000 0.527 709 K N 3.900 124.371 120.400 0.118 0.000 2.284 709 K HA 0.455 4.775 4.320 -0.000 0.000 0.287 709 K C -0.803 175.839 176.600 0.069 0.000 1.081 709 K CA -0.206 56.134 56.287 0.088 0.000 0.910 709 K CB 0.127 32.680 32.500 0.087 0.000 1.088 709 K HN 0.715 nan 8.250 nan 0.000 0.478 710 L N 2.825 124.082 121.223 0.057 0.000 2.375 710 L HA 0.261 4.601 4.340 -0.000 0.000 0.271 710 L C 0.742 177.638 176.870 0.044 0.000 1.107 710 L CA -0.659 54.210 54.840 0.049 0.000 0.806 710 L CB 1.400 43.489 42.059 0.050 0.000 1.146 710 L HN 0.604 nan 8.230 nan 0.000 0.447 711 T N 1.825 116.403 114.554 0.039 0.000 2.875 711 T HA 0.361 4.711 4.350 -0.000 0.000 0.284 711 T C -1.633 173.086 174.700 0.032 0.000 0.995 711 T CA -1.772 60.349 62.100 0.036 0.000 1.060 711 T CB 1.414 70.302 68.868 0.034 0.000 0.967 711 T HN 0.483 nan 8.240 nan 0.000 0.476 712 P HA 0.098 nan 4.420 nan 0.000 0.245 712 P C 0.065 177.376 177.300 0.018 0.000 1.206 712 P CA 0.082 63.200 63.100 0.029 0.000 0.781 712 P CB 0.247 31.969 31.700 0.036 0.000 0.994 713 N N 1.373 120.081 118.700 0.015 0.000 3.243 713 N HA 0.134 4.874 4.740 -0.000 0.000 0.310 713 N C 0.192 175.703 175.510 0.003 0.000 1.313 713 N CA 0.285 53.338 53.050 0.004 0.000 1.204 713 N CB 0.147 38.636 38.487 0.002 0.000 1.483 713 N HN 0.177 nan 8.380 nan 0.000 0.553 714 V N -4.022 115.894 119.914 0.004 0.000 3.114 714 V HA 0.408 4.528 4.120 -0.000 0.000 0.308 714 V C 1.160 177.254 176.094 0.000 0.000 1.168 714 V CA -0.854 61.447 62.300 0.002 0.000 1.015 714 V CB 1.529 33.354 31.823 0.004 0.000 1.050 714 V HN -0.031 nan 8.190 nan 0.000 0.433 715 T N 0.553 115.106 114.554 -0.003 0.000 2.737 715 T HA -0.049 4.301 4.350 -0.000 0.000 0.265 715 T C 0.466 175.166 174.700 -0.001 0.000 1.038 715 T CA 2.382 64.480 62.100 -0.004 0.000 1.144 715 T CB -0.225 68.640 68.868 -0.006 0.000 0.866 715 T HN 0.942 nan 8.240 nan 0.000 0.434 716 D N -0.119 120.280 120.400 -0.001 0.000 2.375 716 D HA 0.252 4.892 4.640 -0.000 0.000 0.259 716 D C 0.606 176.909 176.300 0.004 0.000 1.235 716 D CA -0.385 53.615 54.000 0.001 0.000 0.924 716 D CB 0.168 40.965 40.800 -0.004 0.000 1.143 716 D HN 0.125 nan 8.370 nan 0.000 0.529 717 I N 2.832 123.409 120.570 0.012 0.000 2.454 717 I HA -0.193 3.977 4.170 -0.000 0.000 0.254 717 I C 1.444 177.575 176.117 0.022 0.000 1.156 717 I CA 0.755 62.067 61.300 0.020 0.000 1.433 717 I CB 0.477 38.495 38.000 0.029 0.000 1.082 717 I HN 0.225 nan 8.210 nan 0.000 0.432 718 V N 0.949 120.874 119.914 0.017 0.000 2.407 718 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 718 V C 2.642 178.735 176.094 -0.001 0.000 1.055 718 V CA 2.086 64.394 62.300 0.015 0.000 1.049 718 V CB -0.833 30.994 31.823 0.007 0.000 0.662 718 V HN 0.690 nan 8.190 nan 0.000 0.455 719 S N 0.046 115.742 115.700 -0.008 0.000 2.399 719 S HA -0.125 4.345 4.470 -0.000 0.000 0.231 719 S C 1.918 176.504 174.600 -0.022 0.000 1.022 719 S CA 1.262 59.449 58.200 -0.021 0.000 0.983 719 S CB -0.387 62.800 63.200 -0.022 0.000 0.803 719 S HN 0.431 nan 8.310 nan 0.000 0.480 720 I N 2.630 123.195 120.570 -0.008 0.000 2.286 720 I HA 0.038 4.208 4.170 -0.000 0.000 0.245 720 I C 3.056 179.181 176.117 0.014 0.000 1.104 720 I CA 1.037 62.334 61.300 -0.005 0.000 1.397 720 I CB -1.985 36.018 38.000 0.005 0.000 1.072 720 I HN 0.418 nan 8.210 nan 0.000 0.417 721 A N 1.061 123.905 122.820 0.039 0.000 1.902 721 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 721 A C 2.554 180.149 177.584 0.018 0.000 1.181 721 A CA 1.801 53.895 52.037 0.096 0.000 0.623 721 A CB -0.704 18.375 19.000 0.131 0.000 0.818 721 A HN 0.354 nan 8.150 nan 0.000 0.443 722 R N -0.373 120.096 120.500 -0.050 0.000 2.081 722 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 722 R C 2.256 178.483 176.300 -0.122 0.000 1.131 722 R CA 1.452 57.473 56.100 -0.131 0.000 0.960 722 R CB -0.411 29.828 30.300 -0.101 0.000 0.856 722 R HN 0.430 nan 8.270 nan 0.000 0.436 723 A N 0.705 123.481 122.820 -0.074 0.000 1.902 723 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 723 A C 2.351 179.896 177.584 -0.065 0.000 1.181 723 A CA 1.656 53.648 52.037 -0.074 0.000 0.623 723 A CB -0.749 18.211 19.000 -0.068 0.000 0.818 723 A HN 0.546 nan 8.150 nan 0.000 0.443 724 A N -0.284 122.523 122.820 -0.022 0.000 1.902 724 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 724 A C 2.137 179.736 177.584 0.026 0.000 1.181 724 A CA 1.973 54.031 52.037 0.035 0.000 0.623 724 A CB -0.443 18.631 19.000 0.123 0.000 0.818 724 A HN 0.556 nan 8.150 nan 0.000 0.443 725 K N -0.063 120.286 120.400 -0.083 0.000 2.026 725 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 725 K C 1.852 178.344 176.600 -0.181 0.000 1.048 725 K CA 1.695 57.808 56.287 -0.290 0.000 0.929 725 K CB -0.196 31.777 32.500 -0.877 0.000 0.713 725 K HN 0.628 nan 8.250 nan 0.000 0.439 726 E N -0.742 119.365 120.200 -0.155 0.000 2.153 726 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 726 E C 1.864 178.423 176.600 -0.068 0.000 0.988 726 E CA 0.973 57.308 56.400 -0.108 0.000 0.811 726 E CB -0.086 29.554 29.700 -0.099 0.000 0.746 726 E HN 0.522 nan 8.360 nan 0.000 0.466 727 G N -0.055 108.712 108.800 -0.055 0.000 2.572 727 G HA2 0.057 4.017 3.960 -0.000 0.000 0.216 727 G HA3 0.057 4.017 3.960 -0.000 0.000 0.216 727 G C 1.081 176.007 174.900 0.043 0.000 1.133 727 G CA 0.472 45.553 45.100 -0.032 0.000 0.791 727 G HN 0.431 nan 8.290 nan 0.000 0.538 728 G N -1.626 107.195 108.800 0.034 0.000 2.205 728 G HA2 0.207 4.167 3.960 -0.000 0.000 0.180 728 G HA3 0.207 4.167 3.960 -0.000 0.000 0.180 728 G C 0.461 175.294 174.900 -0.112 0.000 1.004 728 G CA 0.142 45.271 45.100 0.048 0.000 0.670 728 G HN 1.196 nan 8.290 nan 0.000 0.496 729 A N 0.365 123.079 122.820 -0.176 0.000 2.483 729 A HA 0.511 4.831 4.320 -0.000 0.000 0.238 729 A C 1.020 178.402 177.584 -0.336 0.000 1.070 729 A CA 0.823 52.462 52.037 -0.664 0.000 0.770 729 A CB 0.273 19.186 19.000 -0.144 0.000 1.008 729 A HN 0.215 nan 8.150 nan 0.000 0.497 730 D N 0.680 120.731 120.400 -0.582 0.000 2.340 730 D HA 0.292 4.932 4.640 -0.000 0.000 0.220 730 D C 0.806 177.023 176.300 -0.137 0.000 1.039 730 D CA 1.465 55.326 54.000 -0.232 0.000 0.866 730 D CB 0.441 41.036 40.800 -0.342 0.000 0.913 730 D HN 0.820 nan 8.370 nan 0.000 0.523 731 G N -0.029 108.617 108.800 -0.255 0.000 2.315 731 G HA2 0.361 4.321 3.960 -0.000 0.000 0.294 731 G HA3 0.361 4.321 3.960 -0.000 0.000 0.294 731 G C -1.585 173.132 174.900 -0.305 0.000 1.300 731 G CA -0.272 44.399 45.100 -0.714 0.000 0.843 731 G HN 0.100 nan 8.290 nan 0.000 0.527 732 V N -3.213 116.490 119.914 -0.352 0.000 3.007 732 V HA 0.923 5.043 4.120 -0.000 0.000 0.311 732 V C -0.365 175.657 176.094 -0.120 0.000 1.120 732 V CA -0.779 61.472 62.300 -0.081 0.000 0.980 732 V CB 1.605 33.446 31.823 0.031 0.000 1.033 732 V HN 0.980 nan 8.190 nan 0.000 0.429 733 T N 3.045 117.581 114.554 -0.030 0.000 2.758 733 T HA 0.790 5.140 4.350 -0.000 0.000 0.285 733 T C -0.053 174.641 174.700 -0.010 0.000 0.981 733 T CA 0.215 62.286 62.100 -0.049 0.000 0.965 733 T CB 1.116 69.986 68.868 0.003 0.000 0.927 733 T HN 1.420 nan 8.240 nan 0.000 0.448 734 A N 3.401 126.210 122.820 -0.019 0.000 2.332 734 A HA 0.810 5.130 4.320 -0.000 0.000 0.300 734 A C 0.275 177.868 177.584 0.016 0.000 1.153 734 A CA -0.746 51.303 52.037 0.019 0.000 0.764 734 A CB 0.858 19.884 19.000 0.043 0.000 1.174 734 A HN 0.841 nan 8.150 nan 0.000 0.467 735 T N -0.527 114.040 114.554 0.022 0.000 2.778 735 T HA 0.511 4.861 4.350 -0.000 0.000 0.293 735 T C -0.088 174.628 174.700 0.028 0.000 1.144 735 T CA -0.860 61.259 62.100 0.033 0.000 1.010 735 T CB 1.159 70.056 68.868 0.049 0.000 1.325 735 T HN 0.446 nan 8.240 nan 0.000 0.515 736 N N 0.430 119.150 118.700 0.034 0.000 2.332 736 N HA 0.315 5.055 4.740 -0.000 0.000 0.282 736 N C 0.267 175.799 175.510 0.036 0.000 1.288 736 N CA 0.259 53.329 53.050 0.034 0.000 0.949 736 N CB 0.931 39.441 38.487 0.039 0.000 1.108 736 N HN 0.976 nan 8.380 nan 0.000 0.542 737 T N -1.748 112.828 114.554 0.037 0.000 2.860 737 T HA 0.298 4.648 4.350 -0.000 0.000 0.299 737 T C 0.379 175.101 174.700 0.036 0.000 1.045 737 T CA -0.678 61.446 62.100 0.040 0.000 1.071 737 T CB 0.412 69.305 68.868 0.042 0.000 0.985 737 T HN 0.110 nan 8.240 nan 0.000 0.537 738 V N 2.258 122.193 119.914 0.035 0.000 2.465 738 V HA 0.361 4.481 4.120 -0.000 0.000 0.279 738 V C 0.841 176.943 176.094 0.013 0.000 1.045 738 V CA -0.675 61.639 62.300 0.022 0.000 0.938 738 V CB 1.394 33.229 31.823 0.021 0.000 0.986 738 V HN 1.115 nan 8.190 nan 0.000 0.467 739 S N 3.292 118.989 115.700 -0.005 0.000 2.533 739 S HA 0.621 5.091 4.470 -0.000 0.000 0.282 739 S C 0.287 174.851 174.600 -0.059 0.000 1.304 739 S CA 0.451 58.636 58.200 -0.024 0.000 1.063 739 S CB 0.144 63.310 63.200 -0.056 0.000 0.881 739 S HN 1.219 nan 8.310 nan 0.000 0.493 740 G N 2.496 111.278 108.800 -0.030 0.000 2.550 740 G HA2 0.513 4.473 3.960 -0.000 0.000 0.293 740 G HA3 0.513 4.473 3.960 -0.000 0.000 0.293 740 G C -2.227 172.713 174.900 0.066 0.000 1.402 740 G CA -0.744 44.337 45.100 -0.031 0.000 0.784 740 G HN 0.750 nan 8.290 nan 0.000 0.482 741 L N 0.537 121.806 121.223 0.077 0.000 2.372 741 L HA 0.596 4.936 4.340 -0.000 0.000 0.274 741 L C 1.164 178.086 176.870 0.087 0.000 0.988 741 L CA -0.719 54.203 54.840 0.137 0.000 0.833 741 L CB 1.926 44.100 42.059 0.191 0.000 1.236 741 L HN 0.623 nan 8.230 nan 0.000 0.410 742 M N 2.994 122.644 119.600 0.084 0.000 2.296 742 M HA 0.385 4.865 4.480 -0.000 0.000 0.265 742 M C 0.669 177.019 176.300 0.084 0.000 1.064 742 M CA 1.188 56.532 55.300 0.075 0.000 1.109 742 M CB -0.378 32.271 32.600 0.082 0.000 1.396 742 M HN 0.696 nan 8.290 nan 0.000 0.430 743 G N -1.439 107.424 108.800 0.105 0.000 2.337 743 G HA2 0.395 4.355 3.960 -0.000 0.000 0.298 743 G HA3 0.395 4.355 3.960 -0.000 0.000 0.298 743 G C -2.075 172.898 174.900 0.121 0.000 1.335 743 G CA -0.954 44.206 45.100 0.100 0.000 0.875 743 G HN 0.227 nan 8.290 nan 0.000 0.579 744 L N -0.183 121.098 121.223 0.096 0.000 2.371 744 L HA 0.582 4.922 4.340 -0.000 0.000 0.262 744 L C 0.364 177.274 176.870 0.067 0.000 1.006 744 L CA -1.147 53.748 54.840 0.092 0.000 0.818 744 L CB 2.411 44.511 42.059 0.068 0.000 1.354 744 L HN 0.507 nan 8.230 nan 0.000 0.415 745 K N 0.270 120.704 120.400 0.057 0.000 2.102 745 K HA 0.393 4.713 4.320 -0.000 0.000 0.244 745 K C 0.898 177.507 176.600 0.016 0.000 1.021 745 K CA -0.046 56.252 56.287 0.019 0.000 0.913 745 K CB 0.920 33.417 32.500 -0.004 0.000 1.062 745 K HN 0.732 nan 8.250 nan 0.000 0.485 746 A N 1.453 124.275 122.820 0.002 0.000 2.024 746 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 746 A C 1.373 178.960 177.584 0.004 0.000 1.164 746 A CA 2.108 54.146 52.037 0.002 0.000 0.643 746 A CB -0.608 18.389 19.000 -0.005 0.000 0.806 746 A HN 0.855 nan 8.150 nan 0.000 0.451 747 D N -2.428 117.975 120.400 0.004 0.000 2.349 747 D HA 0.269 4.909 4.640 -0.000 0.000 0.224 747 D C 1.184 177.493 176.300 0.015 0.000 1.029 747 D CA 0.986 54.990 54.000 0.006 0.000 0.879 747 D CB -0.501 40.301 40.800 0.003 0.000 0.906 747 D HN 0.758 nan 8.370 nan 0.000 0.528 748 G N 0.037 108.850 108.800 0.022 0.000 2.195 748 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.246 748 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.246 748 G C 0.508 175.432 174.900 0.041 0.000 0.984 748 G CA 0.386 45.504 45.100 0.029 0.000 0.633 748 G HN 0.778 nan 8.290 nan 0.000 0.525 749 T N 0.699 115.281 114.554 0.046 0.000 2.913 749 T HA 0.633 4.983 4.350 -0.000 0.000 0.297 749 T C -1.723 173.039 174.700 0.103 0.000 1.029 749 T CA -0.826 61.314 62.100 0.067 0.000 1.104 749 T CB 2.645 71.554 68.868 0.067 0.000 0.964 749 T HN 0.290 nan 8.240 nan 0.000 0.532 750 P HA 0.293 nan 4.420 nan 0.000 0.281 750 P C -1.211 176.278 177.300 0.316 0.000 1.281 750 P CA -0.905 62.294 63.100 0.167 0.000 0.811 750 P CB 1.191 32.951 31.700 0.100 0.000 1.154 751 W N 1.973 123.291 121.300 0.029 0.000 3.036 751 W HA 0.258 4.918 4.660 0.000 0.000 0.337 751 W C -2.666 173.879 176.519 0.043 0.000 1.055 751 W CA -2.222 55.143 57.345 0.034 0.000 1.248 751 W CB 2.314 31.797 29.460 0.038 0.000 1.335 751 W HN 0.275 nan 8.180 nan 0.000 0.446 752 P HA 0.260 nan 4.420 nan 0.000 0.271 752 P C -0.902 176.258 177.300 -0.233 0.000 1.218 752 P CA 0.073 62.673 63.100 -0.833 0.000 0.780 752 P CB 1.615 32.896 31.700 -0.699 0.000 0.901 753 A N 2.733 125.502 122.820 -0.086 0.000 2.330 753 A HA 0.561 4.881 4.320 -0.000 0.000 0.313 753 A C -0.634 176.973 177.584 0.037 0.000 1.124 753 A CA -0.652 51.444 52.037 0.098 0.000 0.774 753 A CB 1.089 20.257 19.000 0.280 0.000 1.198 753 A HN 0.318 nan 8.150 nan 0.000 0.465 754 V N 2.244 122.161 119.914 0.006 0.000 2.459 754 V HA 0.790 4.910 4.120 -0.000 0.000 0.295 754 V C 0.903 177.006 176.094 0.015 0.000 1.029 754 V CA 0.619 62.918 62.300 -0.003 0.000 0.874 754 V CB 0.657 32.461 31.823 -0.032 0.000 0.985 754 V HN 2.143 nan 8.190 nan 0.000 0.438 755 G N 3.902 112.715 108.800 0.022 0.000 2.855 755 G HA2 0.128 4.088 3.960 -0.000 0.000 0.352 755 G HA3 0.128 4.088 3.960 -0.000 0.000 0.352 755 G C 0.804 175.721 174.900 0.029 0.000 1.415 755 G CA 0.019 45.132 45.100 0.021 0.000 0.871 755 G HN 1.556 nan 8.290 nan 0.000 0.543 756 A N -0.623 122.210 122.820 0.022 0.000 2.019 756 A HA 0.289 4.609 4.320 -0.000 0.000 0.219 756 A C 2.727 180.324 177.584 0.022 0.000 1.164 756 A CA 2.429 54.480 52.037 0.022 0.000 0.644 756 A CB -0.678 18.331 19.000 0.015 0.000 0.805 756 A HN 2.341 nan 8.150 nan 0.000 0.449 757 G N -1.159 107.652 108.800 0.018 0.000 2.744 757 G HA2 0.098 4.058 3.960 -0.000 0.000 0.211 757 G HA3 0.098 4.058 3.960 -0.000 0.000 0.211 757 G C 0.652 175.565 174.900 0.022 0.000 1.143 757 G CA 0.390 45.499 45.100 0.015 0.000 0.788 757 G HN 0.538 nan 8.290 nan 0.000 0.534 758 K N -0.122 120.299 120.400 0.035 0.000 3.148 758 K HA -0.188 4.132 4.320 -0.000 0.000 0.267 758 K C 0.300 176.923 176.600 0.039 0.000 0.996 758 K CA 0.429 56.749 56.287 0.054 0.000 0.737 758 K CB -0.942 31.596 32.500 0.063 0.000 1.308 758 K HN 0.468 nan 8.250 nan 0.000 0.470 759 R N -0.083 120.427 120.500 0.016 0.000 2.546 759 R HA 0.527 4.867 4.340 -0.000 0.000 0.266 759 R C 0.519 176.807 176.300 -0.020 0.000 1.086 759 R CA -0.367 55.730 56.100 -0.006 0.000 1.160 759 R CB 1.581 31.870 30.300 -0.019 0.000 1.138 759 R HN 0.178 nan 8.270 nan 0.000 0.567 760 T N -1.064 113.463 114.554 -0.044 0.000 2.739 760 T HA 0.349 4.699 4.350 -0.000 0.000 0.303 760 T C -1.429 173.206 174.700 -0.109 0.000 1.389 760 T CA -0.397 61.665 62.100 -0.064 0.000 1.001 760 T CB 2.062 70.905 68.868 -0.042 0.000 1.436 760 T HN 0.539 nan 8.240 nan 0.000 0.500 761 T N 0.392 114.877 114.554 -0.115 0.000 2.864 761 T HA 0.639 4.989 4.350 -0.000 0.000 0.299 761 T C -1.459 173.179 174.700 -0.104 0.000 1.166 761 T CA -0.453 61.534 62.100 -0.187 0.000 1.007 761 T CB 0.519 69.318 68.868 -0.115 0.000 1.219 761 T HN 0.438 nan 8.240 nan 0.000 0.506 762 Y N 1.141 121.442 120.300 0.001 0.000 2.712 762 Y HA 0.445 4.995 4.550 -0.000 0.000 0.333 762 Y C 1.254 177.154 175.900 -0.000 0.000 1.225 762 Y CA 0.358 58.460 58.100 0.003 0.000 1.499 762 Y CB 0.078 38.543 38.460 0.009 0.000 1.288 762 Y HN 0.752 nan 8.280 nan 0.000 0.575 763 G N 0.477 109.383 108.800 0.177 0.000 2.932 763 G HA2 0.598 4.558 3.960 -0.000 0.000 0.283 763 G HA3 0.598 4.558 3.960 -0.000 0.000 0.283 763 G C -0.560 174.386 174.900 0.076 0.000 1.336 763 G CA -0.734 44.420 45.100 0.090 0.000 1.056 763 G HN 0.848 nan 8.290 nan 0.000 0.522 764 G N -1.012 107.822 108.800 0.056 0.000 2.335 764 G HA2 0.500 4.460 3.960 -0.000 0.000 0.316 764 G HA3 0.500 4.460 3.960 -0.000 0.000 0.316 764 G C -0.648 174.287 174.900 0.058 0.000 1.129 764 G CA -0.234 44.896 45.100 0.051 0.000 0.899 764 G HN 0.581 nan 8.290 nan 0.000 0.448 765 V N 2.092 122.040 119.914 0.055 0.000 2.465 765 V HA 0.603 4.723 4.120 -0.000 0.000 0.279 765 V C 0.573 176.714 176.094 0.078 0.000 1.045 765 V CA -0.346 61.994 62.300 0.067 0.000 0.938 765 V CB 0.927 32.778 31.823 0.047 0.000 0.986 765 V HN 1.002 nan 8.190 nan 0.000 0.467 766 S N 2.797 118.566 115.700 0.114 0.000 2.709 766 S HA 1.018 5.488 4.470 -0.000 0.000 0.302 766 S C -0.069 174.622 174.600 0.152 0.000 1.127 766 S CA -0.114 58.161 58.200 0.126 0.000 0.905 766 S CB 1.992 65.273 63.200 0.135 0.000 1.151 766 S HN 2.129 nan 8.310 nan 0.000 0.510 767 G N 0.362 109.250 108.800 0.146 0.000 2.566 767 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.599 767 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.599 767 G C 0.563 175.521 174.900 0.097 0.000 1.292 767 G CA 0.532 45.717 45.100 0.141 0.000 0.922 767 G HN 1.924 nan 8.290 nan 0.000 0.514 768 T N -1.851 112.752 114.554 0.082 0.000 2.849 768 T HA 0.120 4.470 4.350 -0.000 0.000 0.270 768 T C 2.572 177.307 174.700 0.058 0.000 1.066 768 T CA 2.578 64.723 62.100 0.075 0.000 1.130 768 T CB -0.374 68.529 68.868 0.058 0.000 0.864 768 T HN 2.126 nan 8.240 nan 0.000 0.481 769 A N 1.992 124.833 122.820 0.036 0.000 2.070 769 A HA 0.181 4.501 4.320 -0.000 0.000 0.220 769 A C 2.284 179.891 177.584 0.039 0.000 1.159 769 A CA 1.303 53.354 52.037 0.024 0.000 0.656 769 A CB -0.807 18.195 19.000 0.003 0.000 0.800 769 A HN 0.911 nan 8.150 nan 0.000 0.453 770 I N -4.629 115.977 120.570 0.059 0.000 3.956 770 I HA 0.272 4.442 4.170 -0.000 0.000 0.333 770 I C 1.765 177.942 176.117 0.101 0.000 1.302 770 I CA 0.098 61.438 61.300 0.068 0.000 1.122 770 I CB -0.007 38.033 38.000 0.067 0.000 1.013 770 I HN 0.161 nan 8.210 nan 0.000 0.405 771 R N 2.135 122.707 120.500 0.121 0.000 2.105 771 R HA -0.075 4.265 4.340 -0.000 0.000 0.239 771 R C -0.565 175.811 176.300 0.127 0.000 1.135 771 R CA 1.947 58.161 56.100 0.191 0.000 0.967 771 R CB -1.125 29.288 30.300 0.188 0.000 0.861 771 R HN 0.321 nan 8.270 nan 0.000 0.442 772 P HA -0.109 nan 4.420 nan 0.000 0.218 772 P C 1.021 178.339 177.300 0.030 0.000 1.149 772 P CA 1.238 64.351 63.100 0.021 0.000 0.817 772 P CB 0.025 31.735 31.700 0.015 0.000 0.785 773 I N -0.898 119.705 120.570 0.054 0.000 2.286 773 I HA -0.176 3.994 4.170 -0.000 0.000 0.245 773 I C 2.299 178.466 176.117 0.084 0.000 1.104 773 I CA 1.289 62.622 61.300 0.055 0.000 1.397 773 I CB -0.762 37.268 38.000 0.050 0.000 1.072 773 I HN -0.099 nan 8.210 nan 0.000 0.417 774 A N 0.612 123.517 122.820 0.142 0.000 1.930 774 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 774 A C 2.214 179.958 177.584 0.267 0.000 1.175 774 A CA 1.274 53.448 52.037 0.229 0.000 0.627 774 A CB -0.697 18.491 19.000 0.313 0.000 0.815 774 A HN 0.325 nan 8.150 nan 0.000 0.443 775 L N -0.250 121.043 121.223 0.117 0.000 2.083 775 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 775 L C 2.485 179.316 176.870 -0.064 0.000 1.083 775 L CA 1.903 56.635 54.840 -0.181 0.000 0.752 775 L CB -0.569 41.277 42.059 -0.355 0.000 0.899 775 L HN 0.431 nan 8.230 nan 0.000 0.433 776 R N -0.892 119.603 120.500 -0.009 0.000 2.075 776 R HA -0.126 4.214 4.340 -0.000 0.000 0.232 776 R C 2.132 178.449 176.300 0.027 0.000 1.126 776 R CA 1.281 57.383 56.100 0.003 0.000 0.963 776 R CB -0.276 30.031 30.300 0.012 0.000 0.858 776 R HN 0.434 nan 8.270 nan 0.000 0.435 777 A N 0.428 123.280 122.820 0.053 0.000 1.883 777 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 777 A C 2.309 179.934 177.584 0.069 0.000 1.186 777 A CA 1.771 53.845 52.037 0.062 0.000 0.624 777 A CB -0.741 18.305 19.000 0.076 0.000 0.822 777 A HN 0.219 nan 8.150 nan 0.000 0.444 778 V N 0.650 120.622 119.914 0.097 0.000 2.295 778 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 778 V C 3.061 179.188 176.094 0.055 0.000 1.049 778 V CA 2.590 64.950 62.300 0.099 0.000 1.024 778 V CB -1.466 30.471 31.823 0.190 0.000 0.648 778 V HN 0.873 nan 8.190 nan 0.000 0.447 779 T N -1.269 113.301 114.554 0.027 0.000 2.777 779 T HA -0.226 4.124 4.350 -0.000 0.000 0.266 779 T C 1.941 176.653 174.700 0.021 0.000 1.040 779 T CA 2.116 64.225 62.100 0.013 0.000 1.141 779 T CB -0.903 67.960 68.868 -0.007 0.000 0.868 779 T HN 0.637 nan 8.240 nan 0.000 0.444 780 T N 0.643 115.212 114.554 0.024 0.000 2.821 780 T HA 0.076 4.426 4.350 -0.000 0.000 0.267 780 T C 2.074 176.792 174.700 0.031 0.000 1.046 780 T CA 0.950 63.065 62.100 0.024 0.000 1.139 780 T CB -0.791 68.091 68.868 0.023 0.000 0.871 780 T HN 0.471 nan 8.240 nan 0.000 0.454 781 I N 1.826 122.423 120.570 0.046 0.000 2.252 781 I HA -0.020 4.150 4.170 -0.000 0.000 0.245 781 I C 3.249 179.408 176.117 0.070 0.000 1.102 781 I CA 1.069 62.408 61.300 0.066 0.000 1.385 781 I CB -0.632 37.422 38.000 0.089 0.000 1.064 781 I HN 0.341 nan 8.210 nan 0.000 0.414 782 A N 0.974 123.828 122.820 0.056 0.000 1.940 782 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 782 A C 2.383 179.987 177.584 0.033 0.000 1.176 782 A CA 1.546 53.612 52.037 0.048 0.000 0.631 782 A CB -0.527 18.493 19.000 0.033 0.000 0.814 782 A HN 0.348 nan 8.150 nan 0.000 0.446 783 R N -0.903 119.610 120.500 0.022 0.000 2.093 783 R HA 0.089 4.429 4.340 -0.000 0.000 0.224 783 R C 2.385 178.689 176.300 0.006 0.000 1.101 783 R CA 1.004 57.110 56.100 0.009 0.000 0.979 783 R CB -0.296 30.006 30.300 0.004 0.000 0.877 783 R HN 0.489 nan 8.270 nan 0.000 0.441 784 A N 0.800 123.627 122.820 0.011 0.000 1.970 784 A HA 0.078 4.398 4.320 -0.000 0.000 0.216 784 A C 1.161 178.740 177.584 -0.009 0.000 1.170 784 A CA 0.663 52.699 52.037 -0.001 0.000 0.645 784 A CB 0.214 19.213 19.000 -0.001 0.000 0.816 784 A HN 0.132 nan 8.150 nan 0.000 0.447 785 L N 0.707 121.939 121.223 0.016 0.000 2.556 785 L HA 0.290 4.630 4.340 -0.000 0.000 0.243 785 L C -2.808 174.103 176.870 0.067 0.000 1.331 785 L CA -1.879 52.968 54.840 0.011 0.000 0.927 785 L CB 1.220 43.281 42.059 0.002 0.000 1.219 785 L HN -0.015 nan 8.230 nan 0.000 0.490 786 P HA 0.061 nan 4.420 nan 0.000 0.261 786 P C 1.067 178.403 177.300 0.061 0.000 1.183 786 P CA 0.906 64.029 63.100 0.038 0.000 0.761 786 P CB 0.885 32.591 31.700 0.010 0.000 0.785 787 G N 2.528 111.368 108.800 0.066 0.000 2.199 787 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.254 787 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.254 787 G C 0.025 175.005 174.900 0.133 0.000 0.982 787 G CA -0.498 44.645 45.100 0.071 0.000 0.632 787 G HN 0.518 nan 8.290 nan 0.000 0.529 788 F N 3.668 123.603 119.950 -0.026 0.000 2.471 788 F HA 0.556 5.083 4.527 -0.000 0.000 0.365 788 F C -1.609 174.171 175.800 -0.034 0.000 1.095 788 F CA -3.050 54.935 58.000 -0.026 0.000 1.174 788 F CB 0.619 39.604 39.000 -0.026 0.000 1.105 788 F HN -0.074 nan 8.300 nan 0.000 0.535 789 P HA 0.080 nan 4.420 nan 0.000 0.261 789 P C -0.750 176.262 177.300 -0.480 0.000 1.173 789 P CA 0.693 63.572 63.100 -0.368 0.000 0.760 789 P CB 0.297 31.812 31.700 -0.307 0.000 0.783 790 I N 3.721 124.086 120.570 -0.341 0.000 2.499 790 I HA 0.259 4.429 4.170 -0.000 0.000 0.288 790 I C -0.637 175.291 176.117 -0.314 0.000 1.048 790 I CA -0.906 60.221 61.300 -0.288 0.000 1.062 790 I CB 1.725 39.644 38.000 -0.135 0.000 1.238 790 I HN 0.027 nan 8.210 nan 0.000 0.426 791 L N 6.093 127.113 121.223 -0.339 0.000 2.265 791 L HA 0.629 4.969 4.340 -0.000 0.000 0.289 791 L C 0.418 177.181 176.870 -0.178 0.000 1.033 791 L CA -0.043 54.608 54.840 -0.314 0.000 0.814 791 L CB 1.425 43.258 42.059 -0.376 0.000 1.203 791 L HN 0.642 nan 8.230 nan 0.000 0.423 792 A N 2.222 124.941 122.820 -0.169 0.000 2.316 792 A HA 0.780 5.100 4.320 -0.000 0.000 0.284 792 A C 0.136 177.550 177.584 -0.283 0.000 1.115 792 A CA -0.173 51.736 52.037 -0.214 0.000 0.812 792 A CB 0.829 19.655 19.000 -0.290 0.000 1.064 792 A HN 0.655 nan 8.150 nan 0.000 0.489 793 T N -0.755 113.625 114.554 -0.290 0.000 3.193 793 T HA 0.606 4.956 4.350 -0.000 0.000 0.332 793 T C -0.525 174.067 174.700 -0.180 0.000 1.208 793 T CA 0.429 62.396 62.100 -0.222 0.000 1.080 793 T CB 0.894 69.715 68.868 -0.079 0.000 1.180 793 T HN 2.467 nan 8.240 nan 0.000 0.469 794 G N 1.278 109.981 108.800 -0.162 0.000 2.299 794 G HA2 0.478 4.438 3.960 -0.000 0.000 0.219 794 G HA3 0.478 4.438 3.960 -0.000 0.000 0.219 794 G C 0.771 175.702 174.900 0.052 0.000 2.786 794 G CA 0.476 45.569 45.100 -0.012 0.000 1.025 794 G HN 2.225 nan 8.290 nan 0.000 0.582 795 G N -0.016 108.820 108.800 0.060 0.000 2.147 795 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.244 795 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.244 795 G C 0.477 175.441 174.900 0.107 0.000 1.005 795 G CA 0.304 45.469 45.100 0.109 0.000 0.713 795 G HN 1.356 nan 8.290 nan 0.000 0.515 796 I N 1.650 122.229 120.570 0.015 0.000 2.379 796 I HA 0.306 4.476 4.170 -0.000 0.000 0.290 796 I C 0.538 176.662 176.117 0.011 0.000 1.063 796 I CA 0.261 61.560 61.300 -0.002 0.000 1.351 796 I CB 0.892 38.820 38.000 -0.120 0.000 1.410 796 I HN 0.279 nan 8.210 nan 0.000 0.505 797 D N 3.717 124.108 120.400 -0.014 0.000 2.636 797 D HA 0.137 4.777 4.640 -0.000 0.000 0.270 797 D C -0.254 176.004 176.300 -0.069 0.000 1.430 797 D CA -0.205 53.812 54.000 0.028 0.000 0.796 797 D CB 0.327 41.200 40.800 0.122 0.000 1.117 797 D HN 0.462 nan 8.370 nan 0.000 0.480 798 S N -2.294 113.174 115.700 -0.386 0.000 2.645 798 S HA 0.566 5.036 4.470 -0.000 0.000 0.268 798 S C 0.731 175.149 174.600 -0.303 0.000 1.110 798 S CA -0.425 57.596 58.200 -0.298 0.000 0.823 798 S CB 0.861 64.051 63.200 -0.016 0.000 1.091 798 S HN 0.161 nan 8.310 nan 0.000 0.466 799 A N 0.776 123.529 122.820 -0.112 0.000 1.930 799 A HA -0.016 4.304 4.320 -0.000 0.000 0.217 799 A C 1.939 179.569 177.584 0.077 0.000 1.175 799 A CA 1.795 53.873 52.037 0.070 0.000 0.627 799 A CB -1.074 17.998 19.000 0.120 0.000 0.815 799 A HN 0.927 nan 8.150 nan 0.000 0.443 800 E N 0.714 120.938 120.200 0.041 0.000 2.058 800 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 800 E C 2.220 178.855 176.600 0.058 0.000 0.997 800 E CA 1.964 58.392 56.400 0.045 0.000 0.801 800 E CB -0.167 29.553 29.700 0.033 0.000 0.746 800 E HN 0.703 nan 8.360 nan 0.000 0.450 801 S N -0.331 115.408 115.700 0.064 0.000 2.402 801 S HA -0.039 4.431 4.470 -0.000 0.000 0.229 801 S C 2.179 176.905 174.600 0.211 0.000 1.021 801 S CA 0.951 59.225 58.200 0.123 0.000 0.974 801 S CB -0.649 62.630 63.200 0.132 0.000 0.800 801 S HN 0.380 nan 8.310 nan 0.000 0.484 802 G N 1.989 110.876 108.800 0.144 0.000 2.418 802 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.217 802 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.217 802 G C 1.349 176.304 174.900 0.091 0.000 1.158 802 G CA 0.943 46.133 45.100 0.151 0.000 0.771 802 G HN 0.481 nan 8.290 nan 0.000 0.545 803 L N 0.455 121.695 121.223 0.028 0.000 2.191 803 L HA -0.007 4.333 4.340 -0.000 0.000 0.212 803 L C 2.776 179.575 176.870 -0.119 0.000 1.103 803 L CA 1.716 56.486 54.840 -0.116 0.000 0.769 803 L CB -0.493 41.486 42.059 -0.132 0.000 0.908 803 L HN 0.317 nan 8.230 nan 0.000 0.438 804 Q N -1.488 118.325 119.800 0.021 0.000 2.084 804 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 804 Q C 2.148 178.116 176.000 -0.053 0.000 0.978 804 Q CA 1.898 57.707 55.803 0.010 0.000 0.844 804 Q CB -0.236 28.466 28.738 -0.059 0.000 0.898 804 Q HN 0.506 nan 8.270 nan 0.000 0.426 805 F N 0.424 120.366 119.950 -0.013 0.000 2.206 805 F HA -0.131 4.396 4.527 0.000 0.000 0.298 805 F C 2.007 177.781 175.800 -0.044 0.000 1.090 805 F CA 0.821 58.808 58.000 -0.022 0.000 1.323 805 F CB -0.100 38.876 39.000 -0.040 0.000 1.028 805 F HN 0.006 nan 8.300 nan 0.000 0.492 806 L N -0.981 120.286 121.223 0.075 0.000 2.017 806 L HA -0.265 4.075 4.340 -0.000 0.000 0.208 806 L C 2.294 179.180 176.870 0.028 0.000 1.073 806 L CA 1.666 56.491 54.840 -0.024 0.000 0.745 806 L CB -0.999 40.979 42.059 -0.135 0.000 0.894 806 L HN 0.219 nan 8.230 nan 0.000 0.432 807 H N -1.081 117.993 119.070 0.007 0.000 2.457 807 H HA -0.113 4.443 4.556 -0.000 0.000 0.297 807 H C 2.160 177.485 175.328 -0.005 0.000 1.092 807 H CA 0.987 57.038 56.048 0.004 0.000 1.309 807 H CB 0.256 30.023 29.762 0.008 0.000 1.382 807 H HN 0.244 nan 8.280 nan 0.000 0.535 808 S N -1.139 114.622 115.700 0.102 0.000 2.603 808 S HA 0.107 4.577 4.470 -0.000 0.000 0.220 808 S C 1.579 176.203 174.600 0.039 0.000 0.967 808 S CA 0.595 58.816 58.200 0.034 0.000 0.920 808 S CB 0.768 63.935 63.200 -0.054 0.000 0.773 808 S HN 0.778 nan 8.310 nan 0.000 0.529 809 G N 0.647 109.474 108.800 0.045 0.000 2.229 809 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.189 809 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.189 809 G C 0.118 175.016 174.900 -0.003 0.000 1.000 809 G CA -0.285 44.828 45.100 0.022 0.000 0.663 809 G HN 0.727 nan 8.290 nan 0.000 0.493 810 A N 0.366 123.193 122.820 0.011 0.000 2.322 810 A HA 0.817 5.137 4.320 -0.000 0.000 0.269 810 A C 1.316 178.830 177.584 -0.116 0.000 1.094 810 A CA 1.056 53.065 52.037 -0.048 0.000 0.807 810 A CB 0.995 20.001 19.000 0.011 0.000 1.047 810 A HN 0.717 nan 8.150 nan 0.000 0.487 811 S N -0.751 114.823 115.700 -0.209 0.000 2.468 811 S HA 0.210 4.680 4.470 -0.000 0.000 0.226 811 S C 0.706 175.084 174.600 -0.370 0.000 1.051 811 S CA 0.794 58.834 58.200 -0.267 0.000 0.943 811 S CB -0.043 62.977 63.200 -0.301 0.000 0.810 811 S HN 1.201 nan 8.310 nan 0.000 0.509 812 V N -0.395 119.263 119.914 -0.427 0.000 3.102 812 V HA 0.717 4.837 4.120 -0.000 0.000 0.312 812 V C -1.479 174.488 176.094 -0.211 0.000 1.135 812 V CA -1.201 60.837 62.300 -0.438 0.000 1.022 812 V CB 1.704 33.008 31.823 -0.866 0.000 1.056 812 V HN 0.143 nan 8.190 nan 0.000 0.436 813 L N 1.914 123.101 121.223 -0.059 0.000 2.372 813 L HA 0.601 4.941 4.340 -0.000 0.000 0.274 813 L C -0.239 176.707 176.870 0.127 0.000 0.988 813 L CA -0.397 54.416 54.840 -0.045 0.000 0.833 813 L CB 1.700 43.659 42.059 -0.167 0.000 1.236 813 L HN 0.709 nan 8.230 nan 0.000 0.410 814 Q N 2.356 122.197 119.800 0.068 0.000 2.235 814 Q HA 0.677 5.017 4.340 -0.000 0.000 0.250 814 Q C -1.011 175.014 176.000 0.043 0.000 0.909 814 Q CA -0.654 55.186 55.803 0.062 0.000 0.910 814 Q CB 3.039 31.817 28.738 0.067 0.000 1.223 814 Q HN 0.400 nan 8.270 nan 0.000 0.432 815 V N 1.191 121.155 119.914 0.084 0.000 2.709 815 V HA 0.316 4.436 4.120 -0.000 0.000 0.308 815 V C -0.254 175.862 176.094 0.037 0.000 1.062 815 V CA -0.608 61.771 62.300 0.132 0.000 0.901 815 V CB 1.636 33.702 31.823 0.405 0.000 1.003 815 V HN 1.110 nan 8.190 nan 0.000 0.425 816 C N 2.174 121.501 119.300 0.045 0.000 3.066 816 C HA 0.104 4.564 4.460 -0.000 0.000 0.277 816 C C 2.631 177.626 174.990 0.009 0.000 2.279 816 C CA 1.296 60.310 59.018 -0.008 0.000 1.720 816 C CB 0.552 28.276 27.740 -0.027 0.000 1.478 816 C HN 0.840 nan 8.230 nan 0.000 0.723 817 S N 1.615 117.349 115.700 0.056 0.000 2.374 817 S HA -0.139 4.331 4.470 -0.000 0.000 0.227 817 S C 1.990 176.709 174.600 0.198 0.000 1.037 817 S CA 1.863 60.145 58.200 0.137 0.000 1.024 817 S CB -0.635 62.746 63.200 0.302 0.000 0.861 817 S HN 0.873 nan 8.310 nan 0.000 0.456 818 A N 0.649 123.590 122.820 0.201 0.000 1.972 818 A HA -0.046 4.274 4.320 -0.000 0.000 0.219 818 A C 2.285 179.988 177.584 0.199 0.000 1.169 818 A CA 1.436 53.615 52.037 0.237 0.000 0.635 818 A CB -0.631 18.562 19.000 0.321 0.000 0.810 818 A HN 0.377 nan 8.150 nan 0.000 0.446 819 V N -0.433 119.571 119.914 0.150 0.000 2.488 819 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 819 V C 2.516 178.580 176.094 -0.051 0.000 1.046 819 V CA 1.901 64.237 62.300 0.060 0.000 1.053 819 V CB -0.733 31.100 31.823 0.016 0.000 0.679 819 V HN 0.624 nan 8.190 nan 0.000 0.458 820 Q N -0.088 119.660 119.800 -0.086 0.000 2.170 820 Q HA -0.178 4.162 4.340 -0.000 0.000 0.203 820 Q C 1.934 177.925 176.000 -0.014 0.000 0.976 820 Q CA 1.240 56.930 55.803 -0.187 0.000 0.858 820 Q CB -0.196 28.228 28.738 -0.523 0.000 0.907 820 Q HN 0.564 nan 8.270 nan 0.000 0.433 821 N N -0.495 118.288 118.700 0.139 0.000 2.494 821 N HA -0.075 4.665 4.740 -0.000 0.000 0.182 821 N C 1.010 176.580 175.510 0.100 0.000 1.076 821 N CA 0.769 53.945 53.050 0.209 0.000 0.908 821 N CB 0.509 39.137 38.487 0.235 0.000 0.967 821 N HN 0.191 nan 8.380 nan 0.000 0.449 822 Q N -0.125 119.704 119.800 0.048 0.000 2.209 822 Q HA 0.181 4.521 4.340 -0.000 0.000 0.201 822 Q C -1.464 174.505 176.000 -0.052 0.000 0.732 822 Q CA 0.119 55.929 55.803 0.012 0.000 0.555 822 Q CB 0.565 29.323 28.738 0.034 0.000 2.685 822 Q HN 0.208 nan 8.270 nan 0.000 0.224 823 D N -2.288 118.080 120.400 -0.054 0.000 2.792 823 D HA 0.197 4.837 4.640 -0.000 0.000 0.335 823 D C -0.321 175.981 176.300 0.005 0.000 1.353 823 D CA -0.577 53.335 54.000 -0.147 0.000 0.839 823 D CB -0.545 40.188 40.800 -0.111 0.000 1.396 823 D HN 0.137 nan 8.370 nan 0.000 0.479 824 F N 0.131 120.130 119.950 0.082 0.000 2.333 824 F HA -0.016 4.511 4.527 -0.000 0.000 0.300 824 F C 2.651 178.601 175.800 0.250 0.000 1.083 824 F CA 1.559 59.702 58.000 0.238 0.000 1.395 824 F CB -1.112 37.982 39.000 0.156 0.000 1.056 824 F HN 0.636 nan 8.300 nan 0.000 0.529 825 T N -2.093 112.602 114.554 0.234 0.000 3.051 825 T HA -0.092 4.258 4.350 -0.000 0.000 0.269 825 T C 1.935 176.566 174.700 -0.115 0.000 1.127 825 T CA 1.026 63.163 62.100 0.062 0.000 1.107 825 T CB -1.252 67.630 68.868 0.025 0.000 0.898 825 T HN 0.215 nan 8.240 nan 0.000 0.517 826 V N -0.646 119.166 119.914 -0.169 0.000 2.867 826 V HA -0.023 4.097 4.120 -0.000 0.000 0.260 826 V C 2.310 177.774 176.094 -1.051 0.000 1.099 826 V CA 1.071 63.045 62.300 -0.542 0.000 1.122 826 V CB -1.349 30.130 31.823 -0.573 0.000 0.708 826 V HN 0.446 nan 8.190 nan 0.000 0.490 827 I N 0.917 120.952 120.570 -0.891 0.000 2.335 827 I HA -0.224 3.946 4.170 -0.000 0.000 0.251 827 I C 2.504 178.226 176.117 -0.658 0.000 1.129 827 I CA 2.072 62.684 61.300 -1.148 0.000 1.402 827 I CB -0.668 36.476 38.000 -1.428 0.000 1.069 827 I HN 0.457 nan 8.210 nan 0.000 0.424 828 Q N 0.411 119.965 119.800 -0.409 0.000 2.084 828 Q HA -0.294 4.046 4.340 -0.000 0.000 0.202 828 Q C 1.881 177.762 176.000 -0.198 0.000 0.978 828 Q CA 2.440 58.109 55.803 -0.224 0.000 0.844 828 Q CB -0.464 28.194 28.738 -0.134 0.000 0.898 828 Q HN 0.697 nan 8.270 nan 0.000 0.426 829 D N -0.921 119.323 120.400 -0.259 0.000 2.117 829 D HA -0.172 4.468 4.640 -0.000 0.000 0.198 829 D C 1.582 177.850 176.300 -0.053 0.000 0.982 829 D CA 1.109 55.031 54.000 -0.131 0.000 0.828 829 D CB -0.122 40.608 40.800 -0.116 0.000 0.967 829 D HN 0.257 nan 8.370 nan 0.000 0.464 830 Y N 0.385 120.444 120.300 -0.403 0.000 2.181 830 Y HA -0.092 4.458 4.550 -0.000 0.000 0.288 830 Y C 2.736 178.365 175.900 -0.451 0.000 1.146 830 Y CA 0.139 57.836 58.100 -0.672 0.000 1.164 830 Y CB -1.214 36.313 38.460 -1.555 0.000 0.982 830 Y HN 0.221 nan 8.280 nan 0.000 0.515 831 C N -0.272 118.928 119.300 -0.168 0.000 2.476 831 C HA -0.143 4.317 4.460 -0.000 0.000 0.278 831 C C 2.874 177.923 174.990 0.097 0.000 1.274 831 C CA 1.807 60.851 59.018 0.044 0.000 1.713 831 C CB -1.373 26.377 27.740 0.017 0.000 2.039 831 C HN 0.698 nan 8.230 nan 0.000 0.484 832 T N -0.668 113.934 114.554 0.081 0.000 2.867 832 T HA -0.023 4.327 4.350 -0.000 0.000 0.268 832 T C 1.931 176.756 174.700 0.208 0.000 1.057 832 T CA 1.774 63.981 62.100 0.178 0.000 1.136 832 T CB -0.758 68.226 68.868 0.194 0.000 0.874 832 T HN 0.515 nan 8.240 nan 0.000 0.466 833 G N 1.474 110.365 108.800 0.152 0.000 2.418 833 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.217 833 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.217 833 G C 1.444 176.426 174.900 0.136 0.000 1.158 833 G CA 0.900 46.087 45.100 0.145 0.000 0.771 833 G HN 0.457 nan 8.290 nan 0.000 0.545 834 L N 0.597 121.917 121.223 0.162 0.000 2.056 834 L HA 0.140 4.480 4.340 -0.000 0.000 0.207 834 L C 2.705 179.643 176.870 0.112 0.000 1.078 834 L CA 1.766 56.706 54.840 0.166 0.000 0.749 834 L CB -0.513 41.709 42.059 0.272 0.000 0.901 834 L HN 0.135 nan 8.230 nan 0.000 0.433 835 K N -0.588 119.874 120.400 0.104 0.000 2.032 835 K HA -0.148 4.172 4.320 -0.000 0.000 0.209 835 K C 2.081 178.690 176.600 0.015 0.000 1.048 835 K CA 1.455 57.775 56.287 0.056 0.000 0.927 835 K CB -0.423 32.097 32.500 0.034 0.000 0.712 835 K HN 0.461 nan 8.250 nan 0.000 0.441 836 A N 1.430 124.233 122.820 -0.028 0.000 1.902 836 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 836 A C 2.147 179.777 177.584 0.076 0.000 1.181 836 A CA 1.265 53.261 52.037 -0.069 0.000 0.623 836 A CB -0.652 18.334 19.000 -0.024 0.000 0.818 836 A HN 0.159 nan 8.150 nan 0.000 0.443 837 L N -0.674 120.602 121.223 0.089 0.000 2.046 837 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 837 L C 2.563 179.479 176.870 0.078 0.000 1.077 837 L CA 1.088 55.984 54.840 0.092 0.000 0.747 837 L CB -0.492 41.615 42.059 0.080 0.000 0.896 837 L HN 0.383 nan 8.230 nan 0.000 0.432 838 L N -1.919 119.347 121.223 0.072 0.000 2.072 838 L HA -0.238 4.102 4.340 -0.000 0.000 0.205 838 L C 2.608 179.510 176.870 0.054 0.000 1.079 838 L CA 1.165 56.038 54.840 0.055 0.000 0.752 838 L CB -0.673 41.416 42.059 0.051 0.000 0.906 838 L HN 0.185 nan 8.230 nan 0.000 0.436 839 Y N 1.092 121.366 120.300 -0.043 0.000 2.097 839 Y HA -0.268 4.282 4.550 -0.000 0.000 0.282 839 Y C 2.388 178.252 175.900 -0.061 0.000 1.152 839 Y CA 1.615 59.677 58.100 -0.062 0.000 1.136 839 Y CB -0.273 38.122 38.460 -0.109 0.000 0.975 839 Y HN -0.012 nan 8.280 nan 0.000 0.498 840 L N 0.209 121.459 121.223 0.044 0.000 2.261 840 L HA -0.255 4.085 4.340 -0.000 0.000 0.216 840 L C 2.169 178.962 176.870 -0.129 0.000 1.114 840 L CA 1.502 56.308 54.840 -0.057 0.000 0.777 840 L CB -0.527 41.550 42.059 0.029 0.000 0.910 840 L HN 0.212 nan 8.230 nan 0.000 0.440 841 K N -0.214 120.134 120.400 -0.086 0.000 2.362 841 K HA -0.086 4.234 4.320 -0.000 0.000 0.200 841 K C 2.070 178.590 176.600 -0.132 0.000 1.046 841 K CA 1.369 57.611 56.287 -0.075 0.000 0.952 841 K CB -0.049 32.439 32.500 -0.021 0.000 0.753 841 K HN 0.374 nan 8.250 nan 0.000 0.466 842 S N 0.107 115.676 115.700 -0.218 0.000 2.548 842 S HA 0.112 4.582 4.470 -0.000 0.000 0.215 842 S C 0.641 175.079 174.600 -0.270 0.000 0.976 842 S CA -0.311 57.745 58.200 -0.241 0.000 0.908 842 S CB 0.149 63.170 63.200 -0.298 0.000 0.781 842 S HN -0.026 nan 8.310 nan 0.000 0.519 843 I N 2.993 123.385 120.570 -0.296 0.000 2.291 843 I HA 0.320 4.490 4.170 -0.000 0.000 0.290 843 I C 1.391 177.333 176.117 -0.291 0.000 1.050 843 I CA -0.183 60.940 61.300 -0.295 0.000 1.245 843 I CB 0.602 38.430 38.000 -0.288 0.000 1.405 843 I HN 0.397 nan 8.210 nan 0.000 0.478 844 E N 5.576 125.613 120.200 -0.272 0.000 2.077 844 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 844 E C 1.307 177.724 176.600 -0.306 0.000 0.989 844 E CA 1.318 57.573 56.400 -0.242 0.000 0.800 844 E CB 0.431 30.014 29.700 -0.195 0.000 0.746 844 E HN 0.619 nan 8.360 nan 0.000 0.452 845 E N 0.306 120.212 120.200 -0.491 0.000 2.516 845 E HA -0.144 4.206 4.350 -0.000 0.000 0.199 845 E C 1.349 177.666 176.600 -0.471 0.000 1.069 845 E CA 0.529 56.589 56.400 -0.568 0.000 0.876 845 E CB -0.021 29.050 29.700 -1.047 0.000 0.843 845 E HN 0.421 nan 8.360 nan 0.000 0.530 846 L N 0.665 121.613 121.223 -0.459 0.000 3.066 846 L HA 0.197 4.537 4.340 -0.000 0.000 0.265 846 L C 1.753 178.464 176.870 -0.265 0.000 1.232 846 L CA -0.145 54.378 54.840 -0.529 0.000 1.031 846 L CB 0.154 41.697 42.059 -0.859 0.000 1.379 846 L HN -0.082 nan 8.230 nan 0.000 0.563 847 Q N 0.581 120.297 119.800 -0.140 0.000 2.291 847 Q HA -0.105 4.235 4.340 -0.000 0.000 0.206 847 Q C 2.129 178.167 176.000 0.063 0.000 0.976 847 Q CA 1.404 57.182 55.803 -0.041 0.000 0.875 847 Q CB -0.024 28.682 28.738 -0.053 0.000 0.927 847 Q HN 0.634 nan 8.270 nan 0.000 0.450 848 G N -0.461 108.418 108.800 0.131 0.000 2.650 848 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.214 848 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.214 848 G C -0.283 174.804 174.900 0.310 0.000 1.136 848 G CA -0.340 44.876 45.100 0.194 0.000 0.789 848 G HN 0.100 nan 8.290 nan 0.000 0.536 849 W N 0.227 121.541 121.300 0.022 0.000 2.161 849 W HA 0.472 5.132 4.660 -0.000 0.000 0.344 849 W C -0.360 176.186 176.519 0.045 0.000 1.262 849 W CA -1.271 56.102 57.345 0.048 0.000 1.270 849 W CB 0.617 30.117 29.460 0.066 0.000 1.126 849 W HN -0.082 nan 8.180 nan 0.000 0.598 850 D N 0.492 121.054 120.400 0.270 0.000 2.472 850 D HA 0.411 5.051 4.640 -0.000 0.000 0.234 850 D C 0.814 177.239 176.300 0.208 0.000 1.088 850 D CA 0.707 54.813 54.000 0.176 0.000 0.882 850 D CB 0.087 40.950 40.800 0.105 0.000 1.037 850 D HN 0.544 nan 8.370 nan 0.000 0.520 851 G N 3.894 112.822 108.800 0.214 0.000 2.561 851 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.289 851 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.289 851 G C 0.739 175.833 174.900 0.323 0.000 1.169 851 G CA 0.374 45.596 45.100 0.205 0.000 0.980 851 G HN 0.540 nan 8.290 nan 0.000 0.550 852 Q N 0.526 120.495 119.800 0.282 0.000 2.360 852 Q HA 0.311 4.651 4.340 -0.000 0.000 0.202 852 Q C 0.470 176.767 176.000 0.495 0.000 0.915 852 Q CA 0.488 56.550 55.803 0.431 0.000 0.943 852 Q CB 0.399 29.271 28.738 0.223 0.000 1.064 852 Q HN 0.310 nan 8.270 nan 0.000 0.511 853 S N 2.638 118.530 115.700 0.320 0.000 2.430 853 S HA 0.303 4.773 4.470 -0.000 0.000 0.289 853 S C -2.325 172.067 174.600 -0.346 0.000 1.143 853 S CA -1.173 57.098 58.200 0.118 0.000 1.067 853 S CB 0.990 64.286 63.200 0.159 0.000 0.964 853 S HN 0.029 nan 8.310 nan 0.000 0.485 854 P HA 0.129 nan 4.420 nan 0.000 0.270 854 P C 0.360 177.262 177.300 -0.664 0.000 1.223 854 P CA -0.160 61.908 63.100 -1.721 0.000 0.785 854 P CB 0.340 31.238 31.700 -1.337 0.000 0.923 855 G N 1.329 109.863 108.800 -0.444 0.000 2.353 855 G HA2 0.117 4.077 3.960 -0.000 0.000 0.239 855 G HA3 0.117 4.077 3.960 -0.000 0.000 0.239 855 G C -0.214 174.612 174.900 -0.123 0.000 1.295 855 G CA -0.074 44.943 45.100 -0.138 0.000 0.884 855 G HN 0.364 nan 8.290 nan 0.000 0.537 856 T N 2.972 117.491 114.554 -0.059 0.000 2.834 856 T HA 0.191 4.541 4.350 -0.000 0.000 0.298 856 T C 0.352 175.062 174.700 0.016 0.000 0.966 856 T CA 0.394 62.479 62.100 -0.026 0.000 1.141 856 T CB 0.704 69.585 68.868 0.021 0.000 0.905 856 T HN 0.566 nan 8.240 nan 0.000 0.535 857 E N 1.630 121.845 120.200 0.026 0.000 2.214 857 E HA 0.333 4.683 4.350 -0.000 0.000 0.274 857 E C -0.076 176.616 176.600 0.153 0.000 0.977 857 E CA -0.640 55.797 56.400 0.061 0.000 0.827 857 E CB 1.261 30.981 29.700 0.033 0.000 1.130 857 E HN 0.514 nan 8.360 nan 0.000 0.394 858 S N 2.811 118.577 115.700 0.110 0.000 2.626 858 S HA -0.043 4.427 4.470 -0.000 0.000 0.303 858 S C -0.523 174.165 174.600 0.147 0.000 1.256 858 S CA 0.117 58.374 58.200 0.095 0.000 1.069 858 S CB -0.192 63.030 63.200 0.036 0.000 0.807 858 S HN 0.606 nan 8.310 nan 0.000 0.500 859 H N 2.655 121.729 119.070 0.007 0.000 2.960 859 H HA 0.529 5.085 4.556 0.000 0.000 0.323 859 H C -1.679 173.655 175.328 0.010 0.000 1.326 859 H CA -1.035 55.018 56.048 0.009 0.000 1.124 859 H CB 0.881 30.648 29.762 0.008 0.000 1.853 859 H HN 0.500 nan 8.280 nan 0.000 0.536 860 Q N 0.919 120.720 119.800 0.002 0.000 2.263 860 Q HA 0.237 4.577 4.340 -0.000 0.000 0.266 860 Q C -0.495 175.563 176.000 0.097 0.000 1.002 860 Q CA -0.532 55.252 55.803 -0.032 0.000 0.790 860 Q CB 2.372 31.099 28.738 -0.018 0.000 1.272 860 Q HN 0.842 nan 8.270 nan 0.000 0.435 861 K N 0.956 121.424 120.400 0.114 0.000 3.160 861 K HA -0.293 4.027 4.320 -0.000 0.000 0.280 861 K C 0.682 177.370 176.600 0.146 0.000 1.154 861 K CA 0.725 57.077 56.287 0.108 0.000 0.822 861 K CB -1.391 31.138 32.500 0.049 0.000 1.239 861 K HN 1.151 nan 8.250 nan 0.000 0.489 862 G N -0.013 108.977 108.800 0.317 0.000 2.184 862 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.264 862 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.264 862 G C -0.069 174.875 174.900 0.073 0.000 0.975 862 G CA 0.936 46.083 45.100 0.078 0.000 0.642 862 G HN 0.332 nan 8.290 nan 0.000 0.536 863 K N 1.264 121.745 120.400 0.135 0.000 2.183 863 K HA 0.449 4.769 4.320 -0.000 0.000 0.274 863 K C -2.585 174.089 176.600 0.124 0.000 1.009 863 K CA -2.016 54.331 56.287 0.101 0.000 0.888 863 K CB 1.481 34.030 32.500 0.082 0.000 1.078 863 K HN -0.024 nan 8.250 nan 0.000 0.459 864 P HA -0.085 nan 4.420 nan 0.000 0.262 864 P C -0.567 176.777 177.300 0.073 0.000 1.182 864 P CA -0.034 63.119 63.100 0.089 0.000 0.761 864 P CB 0.408 32.144 31.700 0.060 0.000 0.795 865 V N 7.243 127.197 119.914 0.066 0.000 2.555 865 V HA 0.119 4.239 4.120 -0.000 0.000 0.286 865 V C -1.734 174.379 176.094 0.032 0.000 1.044 865 V CA -1.256 61.067 62.300 0.038 0.000 1.026 865 V CB 0.259 32.093 31.823 0.020 0.000 0.981 865 V HN 0.553 nan 8.190 nan 0.000 0.480 866 P HA 0.175 nan 4.420 nan 0.000 0.265 866 P C -0.106 177.204 177.300 0.018 0.000 1.222 866 P CA 0.034 63.149 63.100 0.024 0.000 0.767 866 P CB 0.154 31.866 31.700 0.021 0.000 0.801 867 R N 3.474 123.986 120.500 0.020 0.000 4.496 867 R HA 0.272 4.612 4.340 -0.000 0.000 0.211 867 R C 0.240 176.547 176.300 0.013 0.000 1.738 867 R CA -0.285 55.824 56.100 0.015 0.000 1.528 867 R CB -0.510 29.800 30.300 0.017 0.000 1.414 867 R HN 0.536 nan 8.270 nan 0.000 0.812 868 I N 0.194 120.770 120.570 0.010 0.000 2.336 868 I HA 0.172 4.342 4.170 -0.000 0.000 0.292 868 I C 1.206 177.325 176.117 0.004 0.000 0.991 868 I CA -0.106 61.200 61.300 0.009 0.000 1.227 868 I CB 1.454 39.459 38.000 0.009 0.000 1.366 868 I HN 0.405 nan 8.210 nan 0.000 0.466 869 A N 5.561 128.384 122.820 0.004 0.000 1.986 869 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 869 A C 1.837 179.420 177.584 -0.001 0.000 1.171 869 A CA 1.789 53.827 52.037 0.002 0.000 0.640 869 A CB -0.563 18.439 19.000 0.003 0.000 0.811 869 A HN 0.899 nan 8.150 nan 0.000 0.451 870 E N -1.004 119.195 120.200 -0.001 0.000 2.338 870 E HA -0.026 4.324 4.350 -0.000 0.000 0.197 870 E C 1.497 178.093 176.600 -0.007 0.000 1.007 870 E CA 0.597 56.995 56.400 -0.003 0.000 0.849 870 E CB -0.071 29.628 29.700 -0.002 0.000 0.774 870 E HN 0.668 nan 8.360 nan 0.000 0.506 871 L N -0.241 120.978 121.223 -0.008 0.000 2.537 871 L HA 0.124 4.464 4.340 -0.000 0.000 0.224 871 L C 0.222 177.081 176.870 -0.018 0.000 1.065 871 L CA -0.313 54.519 54.840 -0.014 0.000 0.860 871 L CB 0.289 42.340 42.059 -0.013 0.000 1.086 871 L HN 0.124 nan 8.230 nan 0.000 0.482 872 M N 0.716 120.309 119.600 -0.012 0.000 2.303 872 M HA 0.158 4.638 4.480 -0.000 0.000 0.350 872 M C 1.395 177.686 176.300 -0.016 0.000 1.518 872 M CA 0.445 55.737 55.300 -0.013 0.000 1.070 872 M CB -1.068 31.528 32.600 -0.007 0.000 1.910 872 M HN 0.303 nan 8.290 nan 0.000 0.458 873 G N 3.437 112.224 108.800 -0.022 0.000 2.168 873 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.263 873 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.263 873 G C 0.904 175.786 174.900 -0.030 0.000 0.977 873 G CA 0.500 45.585 45.100 -0.024 0.000 0.659 873 G HN 0.709 nan 8.290 nan 0.000 0.533 874 K N 0.456 120.835 120.400 -0.034 0.000 2.458 874 K HA 0.188 4.508 4.320 -0.000 0.000 0.194 874 K C 1.003 177.568 176.600 -0.058 0.000 1.024 874 K CA 0.300 56.566 56.287 -0.035 0.000 1.108 874 K CB 0.014 32.498 32.500 -0.026 0.000 0.846 874 K HN 0.475 nan 8.250 nan 0.000 0.518 875 K N 1.194 121.545 120.400 -0.082 0.000 3.451 875 K HA -0.175 4.145 4.320 -0.000 0.000 0.273 875 K C -0.906 175.558 176.600 -0.227 0.000 0.944 875 K CA 0.428 56.630 56.287 -0.141 0.000 0.734 875 K CB -1.546 30.876 32.500 -0.129 0.000 1.437 875 K HN 0.239 nan 8.250 nan 0.000 0.454 876 L N 1.005 122.112 121.223 -0.194 0.000 2.313 876 L HA 0.332 4.672 4.340 -0.000 0.000 0.273 876 L C -2.083 174.617 176.870 -0.284 0.000 1.028 876 L CA -2.140 52.570 54.840 -0.218 0.000 0.871 876 L CB 0.935 42.949 42.059 -0.074 0.000 1.242 876 L HN -0.061 nan 8.230 nan 0.000 0.434 877 P HA 0.060 nan 4.420 nan 0.000 0.273 877 P C -0.325 176.763 177.300 -0.353 0.000 1.250 877 P CA -0.366 62.453 63.100 -0.469 0.000 0.793 877 P CB 0.566 31.750 31.700 -0.860 0.000 1.011 878 N N 1.195 119.818 118.700 -0.130 0.000 3.091 878 N HA 0.178 4.918 4.740 -0.000 0.000 0.301 878 N C -0.671 174.909 175.510 0.116 0.000 1.325 878 N CA 0.260 53.301 53.050 -0.016 0.000 1.143 878 N CB -0.710 37.800 38.487 0.038 0.000 1.450 878 N HN 0.360 nan 8.380 nan 0.000 0.542 879 F N -3.109 116.864 119.950 0.038 0.000 2.713 879 F HA 0.633 5.160 4.527 -0.000 0.000 0.311 879 F C 0.689 176.472 175.800 -0.030 0.000 1.141 879 F CA -0.740 57.272 58.000 0.020 0.000 0.939 879 F CB 0.433 39.467 39.000 0.057 0.000 1.325 879 F HN 0.093 nan 8.300 nan 0.000 0.453 880 G N 1.130 110.049 108.800 0.197 0.000 2.581 880 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.291 880 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.291 880 G C -1.577 173.172 174.900 -0.251 0.000 1.277 880 G CA 0.135 45.187 45.100 -0.079 0.000 0.959 880 G HN 0.827 nan 8.290 nan 0.000 0.554 881 P HA -0.107 nan 4.420 nan 0.000 0.220 881 P C 1.303 178.341 177.300 -0.438 0.000 1.148 881 P CA 2.224 65.060 63.100 -0.441 0.000 0.803 881 P CB -0.149 31.239 31.700 -0.520 0.000 0.782 882 Y N -0.070 120.037 120.300 -0.322 0.000 2.200 882 Y HA -0.096 4.454 4.550 0.000 0.000 0.290 882 Y C 2.604 178.360 175.900 -0.240 0.000 1.137 882 Y CA 0.552 58.461 58.100 -0.317 0.000 1.163 882 Y CB -1.598 36.562 38.460 -0.500 0.000 0.988 882 Y HN -0.125 nan 8.280 nan 0.000 0.518 883 L N 0.691 121.862 121.223 -0.088 0.000 2.046 883 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 883 L C 1.963 178.801 176.870 -0.052 0.000 1.077 883 L CA 1.754 56.559 54.840 -0.060 0.000 0.747 883 L CB -0.685 41.354 42.059 -0.034 0.000 0.896 883 L HN 0.213 nan 8.230 nan 0.000 0.432 884 E N -0.911 119.246 120.200 -0.071 0.000 2.085 884 E HA -0.324 4.026 4.350 -0.000 0.000 0.194 884 E C 2.132 178.706 176.600 -0.045 0.000 0.994 884 E CA 1.500 57.869 56.400 -0.051 0.000 0.801 884 E CB -0.165 29.497 29.700 -0.063 0.000 0.743 884 E HN 0.627 nan 8.360 nan 0.000 0.453 885 Q N 0.921 120.685 119.800 -0.059 0.000 2.084 885 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 885 Q C 2.114 178.097 176.000 -0.028 0.000 0.978 885 Q CA 1.372 57.150 55.803 -0.042 0.000 0.844 885 Q CB 0.124 28.838 28.738 -0.041 0.000 0.898 885 Q HN 0.116 nan 8.270 nan 0.000 0.426 886 R N 0.042 120.525 120.500 -0.028 0.000 2.091 886 R HA -0.129 4.211 4.340 -0.000 0.000 0.238 886 R C 2.305 178.594 176.300 -0.019 0.000 1.136 886 R CA 1.685 57.771 56.100 -0.024 0.000 0.959 886 R CB -0.145 30.138 30.300 -0.029 0.000 0.856 886 R HN 0.188 nan 8.270 nan 0.000 0.437 887 K N 0.686 121.074 120.400 -0.019 0.000 2.097 887 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 887 K C 2.120 178.713 176.600 -0.011 0.000 1.049 887 K CA 1.212 57.490 56.287 -0.014 0.000 0.933 887 K CB -0.078 32.414 32.500 -0.013 0.000 0.717 887 K HN 0.091 nan 8.250 nan 0.000 0.442 888 K N 1.398 121.790 120.400 -0.013 0.000 2.057 888 K HA -0.113 4.207 4.320 -0.000 0.000 0.207 888 K C 2.024 178.619 176.600 -0.010 0.000 1.049 888 K CA 1.160 57.440 56.287 -0.011 0.000 0.931 888 K CB -0.032 32.458 32.500 -0.016 0.000 0.714 888 K HN 0.044 nan 8.250 nan 0.000 0.440 889 I N 1.007 121.570 120.570 -0.011 0.000 2.226 889 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 889 I C 2.245 178.360 176.117 -0.003 0.000 1.100 889 I CA 1.138 62.433 61.300 -0.007 0.000 1.374 889 I CB -0.177 37.818 38.000 -0.009 0.000 1.057 889 I HN 0.206 nan 8.210 nan 0.000 0.413 890 I N 0.705 121.273 120.570 -0.003 0.000 2.252 890 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 890 I C 2.821 178.939 176.117 0.002 0.000 1.102 890 I CA 1.261 62.562 61.300 0.001 0.000 1.385 890 I CB -0.471 37.529 38.000 -0.001 0.000 1.064 890 I HN 0.177 nan 8.210 nan 0.000 0.414 891 A N 0.611 123.429 122.820 -0.004 0.000 1.883 891 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 891 A C 2.193 179.778 177.584 0.002 0.000 1.186 891 A CA 1.822 53.855 52.037 -0.006 0.000 0.624 891 A CB -0.628 18.366 19.000 -0.010 0.000 0.822 891 A HN 0.442 nan 8.150 nan 0.000 0.444 892 E N -0.900 119.301 120.200 0.002 0.000 2.110 892 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 892 E C 2.039 178.646 176.600 0.012 0.000 0.988 892 E CA 1.272 57.675 56.400 0.005 0.000 0.804 892 E CB -0.085 29.616 29.700 0.002 0.000 0.745 892 E HN 0.721 nan 8.360 nan 0.000 0.458 893 E N 1.282 121.490 120.200 0.013 0.000 2.077 893 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 893 E C 1.663 178.281 176.600 0.030 0.000 0.989 893 E CA 1.258 57.670 56.400 0.020 0.000 0.800 893 E CB 0.128 29.839 29.700 0.019 0.000 0.746 893 E HN -0.055 nan 8.360 nan 0.000 0.452 894 K N -0.137 120.282 120.400 0.031 0.000 2.097 894 K HA -0.070 4.250 4.320 -0.000 0.000 0.206 894 K C 1.949 178.578 176.600 0.049 0.000 1.049 894 K CA 1.108 57.423 56.287 0.047 0.000 0.933 894 K CB -0.307 32.214 32.500 0.035 0.000 0.717 894 K HN 0.307 nan 8.250 nan 0.000 0.442 895 M N 0.163 119.783 119.600 0.034 0.000 2.229 895 M HA -0.070 4.410 4.480 -0.000 0.000 0.264 895 M C 2.093 178.414 176.300 0.035 0.000 1.063 895 M CA 1.227 56.547 55.300 0.033 0.000 1.114 895 M CB -0.742 31.870 32.600 0.022 0.000 1.387 895 M HN 0.111 nan 8.290 nan 0.000 0.420 896 R N 0.305 120.823 120.500 0.031 0.000 2.090 896 R HA -0.023 4.317 4.340 -0.000 0.000 0.228 896 R C 2.107 178.429 176.300 0.036 0.000 1.110 896 R CA 0.821 56.938 56.100 0.029 0.000 0.973 896 R CB -0.069 30.245 30.300 0.023 0.000 0.869 896 R HN 0.313 nan 8.270 nan 0.000 0.440 897 L N 0.647 121.897 121.223 0.045 0.000 2.201 897 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 897 L C 2.570 179.476 176.870 0.061 0.000 1.105 897 L CA 1.216 56.088 54.840 0.053 0.000 0.775 897 L CB -0.338 41.761 42.059 0.065 0.000 0.913 897 L HN 0.212 nan 8.230 nan 0.000 0.440 898 K N 0.482 120.921 120.400 0.065 0.000 2.062 898 K HA -0.145 4.175 4.320 -0.000 0.000 0.205 898 K C 1.848 178.480 176.600 0.053 0.000 1.051 898 K CA 1.046 57.375 56.287 0.070 0.000 0.941 898 K CB 0.132 32.677 32.500 0.075 0.000 0.719 898 K HN 0.318 nan 8.250 nan 0.000 0.440 899 E N 0.810 121.035 120.200 0.043 0.000 2.031 899 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 899 E C 0.835 177.453 176.600 0.031 0.000 0.994 899 E CA 0.988 57.408 56.400 0.034 0.000 0.800 899 E CB -0.030 29.686 29.700 0.027 0.000 0.752 899 E HN 0.417 nan 8.360 nan 0.000 0.447 900 Q N 2.480 122.299 119.800 0.031 0.000 2.844 900 Q HA 0.039 4.379 4.340 -0.000 0.000 0.235 900 Q C -0.582 175.439 176.000 0.035 0.000 1.336 900 Q CA -0.375 55.444 55.803 0.027 0.000 1.026 900 Q CB -0.055 28.697 28.738 0.023 0.000 1.513 900 Q HN -0.091 nan 8.270 nan 0.000 0.577 901 N N 2.467 121.188 118.700 0.034 0.000 2.417 901 N HA 0.192 4.932 4.740 -0.000 0.000 0.272 901 N C -1.540 173.995 175.510 0.042 0.000 1.304 901 N CA 0.680 53.758 53.050 0.046 0.000 0.906 901 N CB 0.775 39.285 38.487 0.037 0.000 1.135 901 N HN 0.708 nan 8.380 nan 0.000 0.483 902 A N 1.915 124.784 122.820 0.081 0.000 2.573 902 A HA 0.756 5.076 4.320 -0.000 0.000 0.299 902 A C -1.201 176.466 177.584 0.138 0.000 1.060 902 A CA -0.068 52.028 52.037 0.098 0.000 0.736 902 A CB 0.501 19.532 19.000 0.051 0.000 1.280 902 A HN 1.422 nan 8.150 nan 0.000 0.401 903 A N 0.115 123.068 122.820 0.223 0.000 2.464 903 A HA 0.580 4.900 4.320 -0.000 0.000 0.656 903 A C -0.436 177.339 177.584 0.318 0.000 0.273 903 A CA 0.278 52.380 52.037 0.107 0.000 0.184 903 A CB -1.035 17.994 19.000 0.049 0.000 3.757 903 A HN 2.686 nan 8.150 nan 0.000 0.531 904 F N -4.366 115.625 119.950 0.069 0.000 3.346 904 F HA 0.230 4.757 4.527 -0.000 0.000 0.352 904 F C -2.562 173.256 175.800 0.030 0.000 1.068 904 F CA 0.351 58.366 58.000 0.026 0.000 1.083 904 F CB -1.142 37.863 39.000 0.009 0.000 2.271 904 F HN 0.330 nan 8.300 nan 0.000 0.382 905 P HA 0.293 nan 4.420 nan 0.000 0.228 905 P C -2.042 175.220 177.300 -0.064 0.000 1.748 905 P CA -0.513 62.421 63.100 -0.276 0.000 0.909 905 P CB -0.021 31.442 31.700 -0.394 0.000 1.882 906 P HA -0.098 nan 4.420 nan 0.000 0.238 906 P C -0.016 177.301 177.300 0.028 0.000 1.175 906 P CA 0.466 63.589 63.100 0.038 0.000 0.757 906 P CB -0.371 31.382 31.700 0.088 0.000 0.839 907 L N -0.396 120.841 121.223 0.023 0.000 3.701 907 L HA -0.247 4.093 4.340 -0.000 0.000 0.574 907 L C 0.276 177.163 176.870 0.029 0.000 1.049 907 L CA 0.156 55.011 54.840 0.025 0.000 0.951 907 L CB -1.552 40.514 42.059 0.012 0.000 1.081 907 L HN 0.336 nan 8.230 nan 0.000 0.729 908 E N 1.721 121.946 120.200 0.043 0.000 3.513 908 E HA -0.199 4.151 4.350 -0.000 0.000 0.295 908 E C 0.743 177.348 176.600 0.009 0.000 0.838 908 E CA 0.443 56.864 56.400 0.034 0.000 0.995 908 E CB 0.249 29.972 29.700 0.038 0.000 0.968 908 E HN 0.357 nan 8.360 nan 0.000 0.532 909 R N 2.552 123.050 120.500 -0.004 0.000 2.538 909 R HA -0.012 4.328 4.340 -0.000 0.000 0.282 909 R C -0.479 175.791 176.300 -0.049 0.000 1.009 909 R CA 0.737 56.815 56.100 -0.038 0.000 1.063 909 R CB 0.389 30.673 30.300 -0.025 0.000 0.945 909 R HN 0.347 nan 8.270 nan 0.000 0.414 910 K N 5.638 125.984 120.400 -0.091 0.000 2.565 910 K HA 0.316 4.636 4.320 -0.000 0.000 0.249 910 K C -2.563 173.939 176.600 -0.163 0.000 0.958 910 K CA -1.916 54.325 56.287 -0.076 0.000 0.806 910 K CB 2.319 34.811 32.500 -0.014 0.000 1.194 910 K HN 0.442 nan 8.250 nan 0.000 0.434 911 P HA 0.030 nan 4.420 nan 0.000 0.268 911 P C -0.785 176.503 177.300 -0.019 0.000 1.205 911 P CA -0.064 62.942 63.100 -0.155 0.000 0.771 911 P CB 0.290 31.954 31.700 -0.059 0.000 0.858 912 F N 2.319 122.251 119.950 -0.030 0.000 2.429 912 F HA 0.308 4.835 4.527 -0.000 0.000 0.348 912 F C 0.969 176.752 175.800 -0.029 0.000 1.109 912 F CA -0.492 57.479 58.000 -0.047 0.000 1.232 912 F CB -0.085 38.864 39.000 -0.084 0.000 1.157 912 F HN 0.097 nan 8.300 nan 0.000 0.564 913 I N 4.077 124.737 120.570 0.150 0.000 2.474 913 I HA 0.308 4.478 4.170 -0.000 0.000 0.294 913 I C -2.314 173.780 176.117 -0.037 0.000 1.005 913 I CA -2.245 59.087 61.300 0.054 0.000 1.113 913 I CB 1.994 40.016 38.000 0.037 0.000 1.289 913 I HN 0.309 nan 8.210 nan 0.000 0.436 914 P HA 0.037 nan 4.420 nan 0.000 0.262 914 P C -0.287 176.946 177.300 -0.112 0.000 1.182 914 P CA 0.100 63.095 63.100 -0.174 0.000 0.761 914 P CB 0.454 32.033 31.700 -0.201 0.000 0.795 915 K N 2.393 122.719 120.400 -0.124 0.000 2.373 915 K HA 0.104 4.424 4.320 -0.000 0.000 0.202 915 K C 0.447 176.998 176.600 -0.082 0.000 1.025 915 K CA 0.107 56.338 56.287 -0.092 0.000 1.115 915 K CB 0.201 32.642 32.500 -0.098 0.000 0.858 915 K HN 0.493 nan 8.250 nan 0.000 0.525 916 K N -0.411 119.934 120.400 -0.091 0.000 2.579 916 K HA 0.392 4.712 4.320 -0.000 0.000 0.284 916 K C -3.270 173.285 176.600 -0.074 0.000 0.990 916 K CA -1.762 54.481 56.287 -0.073 0.000 0.880 916 K CB 0.986 33.443 32.500 -0.072 0.000 1.488 916 K HN -0.331 nan 8.250 nan 0.000 0.425 917 P HA 0.122 nan 4.420 nan 0.000 0.269 917 P C -0.679 176.590 177.300 -0.052 0.000 1.209 917 P CA -0.131 62.943 63.100 -0.043 0.000 0.776 917 P CB 0.346 32.029 31.700 -0.028 0.000 0.876 918 I N 4.673 125.216 120.570 -0.044 0.000 2.471 918 I HA 0.117 4.287 4.170 -0.000 0.000 0.286 918 I C -1.745 174.364 176.117 -0.013 0.000 1.079 918 I CA -1.851 59.425 61.300 -0.040 0.000 1.398 918 I CB 0.260 38.256 38.000 -0.007 0.000 1.403 918 I HN 0.227 nan 8.210 nan 0.000 0.530 919 P HA 0.104 nan 4.420 nan 0.000 0.266 919 P C -0.558 176.747 177.300 0.008 0.000 1.195 919 P CA -0.141 62.959 63.100 0.002 0.000 0.768 919 P CB 0.652 32.359 31.700 0.011 0.000 0.838 920 A N 2.812 125.635 122.820 0.006 0.000 2.256 920 A HA 0.340 4.660 4.320 -0.000 0.000 0.318 920 A C 1.478 179.060 177.584 -0.003 0.000 1.103 920 A CA -0.546 51.494 52.037 0.006 0.000 0.860 920 A CB 0.103 19.107 19.000 0.005 0.000 1.182 920 A HN 0.470 nan 8.150 nan 0.000 0.501 921 I N 0.388 120.950 120.570 -0.013 0.000 2.208 921 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 921 I C 2.440 178.537 176.117 -0.033 0.000 1.097 921 I CA 2.292 63.569 61.300 -0.038 0.000 1.363 921 I CB -1.135 36.828 38.000 -0.061 0.000 1.051 921 I HN 0.945 nan 8.210 nan 0.000 0.413 922 K N 0.576 120.963 120.400 -0.023 0.000 2.211 922 K HA -0.189 4.131 4.320 -0.000 0.000 0.204 922 K C 1.119 177.715 176.600 -0.006 0.000 1.047 922 K CA 1.652 57.928 56.287 -0.018 0.000 0.935 922 K CB -0.330 32.163 32.500 -0.011 0.000 0.728 922 K HN 0.263 nan 8.250 nan 0.000 0.452 923 D N 1.242 121.643 120.400 0.001 0.000 2.317 923 D HA -0.077 4.563 4.640 -0.000 0.000 0.211 923 D C 1.904 178.225 176.300 0.035 0.000 0.966 923 D CA 1.218 55.226 54.000 0.012 0.000 0.876 923 D CB 0.471 41.277 40.800 0.011 0.000 0.927 923 D HN 0.353 nan 8.370 nan 0.000 0.519 924 V N -1.802 118.136 119.914 0.042 0.000 3.621 924 V HA 0.224 4.344 4.120 -0.000 0.000 0.263 924 V C 0.999 177.174 176.094 0.135 0.000 1.272 924 V CA -0.285 62.083 62.300 0.113 0.000 1.080 924 V CB -0.205 31.654 31.823 0.059 0.000 0.816 924 V HN -0.097 nan 8.190 nan 0.000 0.451 925 I N 3.222 123.818 120.570 0.044 0.000 2.741 925 I HA 0.347 4.517 4.170 -0.000 0.000 0.288 925 I C 1.646 177.793 176.117 0.049 0.000 1.192 925 I CA 1.547 62.865 61.300 0.030 0.000 1.426 925 I CB -0.032 37.959 38.000 -0.016 0.000 1.367 925 I HN 0.534 nan 8.210 nan 0.000 0.563 926 G N 5.120 113.959 108.800 0.065 0.000 2.184 926 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.264 926 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.264 926 G C 1.161 176.080 174.900 0.031 0.000 0.975 926 G CA -0.036 45.089 45.100 0.042 0.000 0.642 926 G HN 0.604 nan 8.290 nan 0.000 0.536 927 K N 0.253 120.692 120.400 0.065 0.000 2.360 927 K HA 0.172 4.492 4.320 -0.000 0.000 0.201 927 K C 2.597 179.169 176.600 -0.046 0.000 1.046 927 K CA 1.422 57.707 56.287 -0.004 0.000 0.945 927 K CB -0.441 32.070 32.500 0.018 0.000 0.750 927 K HN 0.792 nan 8.250 nan 0.000 0.464 928 A N 0.679 123.498 122.820 -0.001 0.000 2.132 928 A HA 0.059 4.379 4.320 -0.000 0.000 0.213 928 A C 2.075 179.704 177.584 0.074 0.000 1.154 928 A CA 0.215 52.309 52.037 0.095 0.000 0.753 928 A CB -0.308 18.728 19.000 0.060 0.000 0.826 928 A HN 0.154 nan 8.150 nan 0.000 0.469 929 L N 0.281 121.500 121.223 -0.008 0.000 2.187 929 L HA -0.292 4.048 4.340 -0.000 0.000 0.213 929 L C 2.841 179.652 176.870 -0.097 0.000 1.100 929 L CA 1.666 56.488 54.840 -0.030 0.000 0.765 929 L CB -0.778 41.264 42.059 -0.028 0.000 0.904 929 L HN 0.709 nan 8.230 nan 0.000 0.437 930 Q N -0.329 119.333 119.800 -0.230 0.000 2.297 930 Q HA -0.226 4.114 4.340 -0.000 0.000 0.208 930 Q C 1.571 177.332 176.000 -0.399 0.000 0.981 930 Q CA 1.778 57.363 55.803 -0.363 0.000 0.876 930 Q CB -0.470 27.943 28.738 -0.542 0.000 0.921 930 Q HN 0.509 nan 8.270 nan 0.000 0.446 931 Y N 0.758 121.025 120.300 -0.056 0.000 2.523 931 Y HA 0.286 4.836 4.550 -0.000 0.000 0.279 931 Y C 0.862 176.732 175.900 -0.050 0.000 1.139 931 Y CA -0.212 57.854 58.100 -0.057 0.000 1.296 931 Y CB 0.427 38.848 38.460 -0.065 0.000 1.045 931 Y HN 0.003 nan 8.280 nan 0.000 0.538 932 L N 0.154 121.415 121.223 0.064 0.000 2.350 932 L HA 0.591 4.931 4.340 -0.000 0.000 0.275 932 L C 0.668 177.542 176.870 0.007 0.000 1.099 932 L CA -0.018 54.843 54.840 0.034 0.000 0.808 932 L CB 1.004 43.076 42.059 0.023 0.000 1.149 932 L HN 0.282 nan 8.230 nan 0.000 0.442 933 G N 0.617 109.422 108.800 0.009 0.000 2.490 933 G HA2 0.376 4.336 3.960 -0.000 0.000 0.308 933 G HA3 0.376 4.336 3.960 -0.000 0.000 0.308 933 G C -0.787 174.123 174.900 0.017 0.000 1.286 933 G CA -0.117 44.984 45.100 0.002 0.000 0.825 933 G HN 0.543 nan 8.290 nan 0.000 0.479 934 T N -1.888 112.678 114.554 0.019 0.000 2.816 934 T HA 0.408 4.758 4.350 -0.000 0.000 0.282 934 T C 1.117 175.858 174.700 0.068 0.000 0.993 934 T CA 0.099 62.233 62.100 0.056 0.000 0.994 934 T CB 1.150 70.049 68.868 0.053 0.000 1.025 934 T HN 0.606 nan 8.240 nan 0.000 0.529 935 F N 1.313 121.260 119.950 -0.004 0.000 2.186 935 F HA 0.148 4.675 4.527 -0.000 0.000 0.299 935 F C 2.404 178.201 175.800 -0.005 0.000 1.090 935 F CA 1.842 59.839 58.000 -0.005 0.000 1.307 935 F CB -0.899 38.099 39.000 -0.004 0.000 1.019 935 F HN 0.749 nan 8.300 nan 0.000 0.489 936 G N -0.395 108.466 108.800 0.103 0.000 2.479 936 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.220 936 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.220 936 G C 1.365 176.221 174.900 -0.074 0.000 1.115 936 G CA 0.793 45.909 45.100 0.026 0.000 0.757 936 G HN 0.494 nan 8.290 nan 0.000 0.560 937 E N -0.435 119.712 120.200 -0.089 0.000 2.502 937 E HA 0.162 4.512 4.350 -0.000 0.000 0.194 937 E C 0.297 176.811 176.600 -0.142 0.000 1.062 937 E CA -0.317 56.029 56.400 -0.090 0.000 0.867 937 E CB 0.144 29.810 29.700 -0.057 0.000 0.888 937 E HN 0.359 nan 8.360 nan 0.000 0.510 938 L N 1.251 122.317 121.223 -0.262 0.000 2.326 938 L HA 0.168 4.508 4.340 -0.000 0.000 0.278 938 L C 0.493 177.201 176.870 -0.269 0.000 1.092 938 L CA -0.554 54.100 54.840 -0.309 0.000 0.810 938 L CB 1.363 43.103 42.059 -0.532 0.000 1.153 938 L HN -0.086 nan 8.230 nan 0.000 0.439 939 S N 1.812 117.403 115.700 -0.181 0.000 2.505 939 S HA 0.076 4.546 4.470 -0.000 0.000 0.276 939 S C 0.758 175.273 174.600 -0.142 0.000 1.274 939 S CA -0.713 57.407 58.200 -0.132 0.000 1.053 939 S CB 0.237 63.382 63.200 -0.091 0.000 0.919 939 S HN 0.741 nan 8.310 nan 0.000 0.490 940 N N 5.314 123.951 118.700 -0.104 0.000 2.230 940 N HA 0.115 4.855 4.740 -0.000 0.000 0.202 940 N C 0.674 176.154 175.510 -0.051 0.000 1.119 940 N CA 0.024 53.026 53.050 -0.081 0.000 0.851 940 N CB 0.056 38.535 38.487 -0.012 0.000 0.990 940 N HN 0.511 nan 8.380 nan 0.000 0.497 941 I N 0.373 120.916 120.570 -0.046 0.000 2.927 941 I HA 0.079 4.249 4.170 -0.000 0.000 0.268 941 I C 0.144 176.238 176.117 -0.039 0.000 1.153 941 I CA 0.417 61.707 61.300 -0.016 0.000 1.459 941 I CB -0.590 37.406 38.000 -0.008 0.000 1.149 941 I HN 0.193 nan 8.210 nan 0.000 0.443 942 E N 3.215 123.377 120.200 -0.064 0.000 1.856 942 E HA 0.113 4.463 4.350 -0.000 0.000 0.263 942 E C -0.058 176.479 176.600 -0.105 0.000 1.137 942 E CA -0.185 56.175 56.400 -0.067 0.000 1.007 942 E CB 0.326 29.989 29.700 -0.060 0.000 1.117 942 E HN 0.283 nan 8.360 nan 0.000 0.438 943 Q N 0.918 120.643 119.800 -0.126 0.000 2.212 943 Q HA 0.471 4.811 4.340 -0.000 0.000 0.238 943 Q C 0.227 176.152 176.000 -0.125 0.000 0.955 943 Q CA -0.602 55.082 55.803 -0.197 0.000 0.906 943 Q CB 2.087 30.615 28.738 -0.350 0.000 1.215 943 Q HN 0.337 nan 8.270 nan 0.000 0.478 944 V N -2.394 117.441 119.914 -0.131 0.000 3.141 944 V HA 0.903 5.023 4.120 -0.000 0.000 0.312 944 V C -0.264 175.791 176.094 -0.065 0.000 1.157 944 V CA -0.967 61.287 62.300 -0.077 0.000 1.041 944 V CB 1.778 33.563 31.823 -0.064 0.000 1.071 944 V HN 0.596 nan 8.190 nan 0.000 0.441 945 V N -1.755 118.139 119.914 -0.032 0.000 3.078 945 V HA 1.027 5.147 4.120 -0.000 0.000 0.311 945 V C 0.196 176.286 176.094 -0.006 0.000 1.138 945 V CA -0.494 61.797 62.300 -0.015 0.000 1.007 945 V CB 1.254 33.079 31.823 0.003 0.000 1.045 945 V HN 1.944 nan 8.190 nan 0.000 0.432 946 A N 1.774 124.597 122.820 0.006 0.000 2.354 946 A HA 0.810 5.130 4.320 -0.000 0.000 0.269 946 A C -0.360 177.235 177.584 0.019 0.000 1.109 946 A CA -0.474 51.571 52.037 0.013 0.000 0.800 946 A CB 0.894 19.909 19.000 0.023 0.000 1.045 946 A HN 1.490 nan 8.150 nan 0.000 0.489 947 V N 3.569 123.494 119.914 0.017 0.000 2.623 947 V HA 0.344 4.464 4.120 -0.000 0.000 0.304 947 V C -0.485 175.621 176.094 0.020 0.000 1.054 947 V CA -0.166 62.145 62.300 0.019 0.000 0.882 947 V CB 1.579 33.410 31.823 0.013 0.000 1.002 947 V HN 0.764 nan 8.190 nan 0.000 0.424 948 I N 3.314 123.899 120.570 0.025 0.000 2.359 948 I HA 0.373 4.543 4.170 -0.000 0.000 0.294 948 I C -0.283 175.844 176.117 0.016 0.000 0.987 948 I CA -0.378 60.937 61.300 0.025 0.000 1.225 948 I CB 1.606 39.629 38.000 0.038 0.000 1.366 948 I HN 0.536 nan 8.210 nan 0.000 0.466 949 D N 6.663 127.069 120.400 0.010 0.000 2.441 949 D HA 0.051 4.691 4.640 -0.000 0.000 0.221 949 D C 1.100 177.396 176.300 -0.006 0.000 1.156 949 D CA -0.057 53.944 54.000 0.002 0.000 0.896 949 D CB 0.815 41.615 40.800 -0.000 0.000 1.028 949 D HN 0.439 nan 8.370 nan 0.000 0.509 950 E N 2.518 122.713 120.200 -0.007 0.000 2.187 950 E HA -0.209 4.141 4.350 -0.000 0.000 0.199 950 E C 1.020 177.603 176.600 -0.028 0.000 1.004 950 E CA 0.941 57.333 56.400 -0.015 0.000 0.813 950 E CB 0.307 29.991 29.700 -0.027 0.000 0.736 950 E HN 0.601 nan 8.360 nan 0.000 0.468 951 E N -0.152 120.029 120.200 -0.032 0.000 2.268 951 E HA -0.061 4.289 4.350 -0.000 0.000 0.195 951 E C 1.844 178.402 176.600 -0.070 0.000 0.995 951 E CA 0.717 57.092 56.400 -0.043 0.000 0.836 951 E CB -0.061 29.621 29.700 -0.030 0.000 0.763 951 E HN 0.400 nan 8.360 nan 0.000 0.491 952 M N -0.566 118.986 119.600 -0.080 0.000 2.465 952 M HA 0.066 4.546 4.480 -0.000 0.000 0.249 952 M C 1.072 177.309 176.300 -0.106 0.000 1.130 952 M CA -0.205 55.002 55.300 -0.154 0.000 1.067 952 M CB 0.662 33.173 32.600 -0.148 0.000 1.394 952 M HN -0.081 nan 8.290 nan 0.000 0.483 953 C N 2.914 122.191 119.300 -0.039 0.000 2.642 953 C HA 0.142 4.602 4.460 -0.000 0.000 0.420 953 C C 1.600 176.609 174.990 0.032 0.000 1.349 953 C CA -0.398 58.625 59.018 0.009 0.000 1.821 953 C CB -0.500 27.265 27.740 0.043 0.000 2.637 953 C HN 0.638 nan 8.230 nan 0.000 0.605 954 I N 1.615 122.216 120.570 0.052 0.000 3.889 954 I HA 0.358 4.528 4.170 -0.000 0.000 0.332 954 I C 0.451 176.648 176.117 0.133 0.000 1.493 954 I CA -0.325 61.022 61.300 0.079 0.000 1.158 954 I CB -0.960 37.066 38.000 0.044 0.000 1.117 954 I HN 0.823 nan 8.210 nan 0.000 0.411 955 N N 0.289 119.096 118.700 0.179 0.000 2.708 955 N HA -0.254 4.486 4.740 -0.000 0.000 0.249 955 N C 1.113 176.768 175.510 0.240 0.000 1.097 955 N CA 1.115 54.333 53.050 0.279 0.000 0.710 955 N CB -2.260 36.449 38.487 0.369 0.000 1.032 955 N HN 0.874 nan 8.380 nan 0.000 0.551 956 C N -3.119 116.249 119.300 0.114 0.000 2.495 956 C HA 0.522 4.982 4.460 -0.000 0.000 0.275 956 C C 2.181 177.090 174.990 -0.135 0.000 1.392 956 C CA 0.365 59.386 59.018 0.005 0.000 1.766 956 C CB -0.885 26.844 27.740 -0.019 0.000 1.933 956 C HN 1.005 nan 8.230 nan 0.000 0.519 957 G N 0.966 109.619 108.800 -0.246 0.000 2.148 957 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.254 957 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.254 957 G C 0.859 175.552 174.900 -0.344 0.000 0.981 957 G CA 0.751 45.399 45.100 -0.753 0.000 0.670 957 G HN 0.645 nan 8.290 nan 0.000 0.528 958 K N -0.325 119.970 120.400 -0.175 0.000 2.097 958 K HA -0.087 4.233 4.320 -0.000 0.000 0.205 958 K C 2.953 179.503 176.600 -0.084 0.000 1.050 958 K CA 1.773 57.992 56.287 -0.113 0.000 0.938 958 K CB -0.476 31.981 32.500 -0.071 0.000 0.718 958 K HN 0.840 nan 8.250 nan 0.000 0.442 959 C N -0.284 118.983 119.300 -0.055 0.000 2.429 959 C HA -0.124 4.336 4.460 -0.000 0.000 0.277 959 C C 2.540 177.534 174.990 0.006 0.000 1.262 959 C CA 0.231 59.243 59.018 -0.010 0.000 1.733 959 C CB -1.339 26.414 27.740 0.023 0.000 2.010 959 C HN 0.432 nan 8.230 nan 0.000 0.483 960 Y N 2.193 122.380 120.300 -0.189 0.000 2.145 960 Y HA -0.108 4.442 4.550 0.000 0.000 0.286 960 Y C 2.577 178.379 175.900 -0.164 0.000 1.145 960 Y CA 2.020 60.001 58.100 -0.197 0.000 1.148 960 Y CB -0.623 37.584 38.460 -0.422 0.000 0.981 960 Y HN 0.249 nan 8.280 nan 0.000 0.507 961 M N -1.051 118.395 119.600 -0.257 0.000 2.175 961 M HA -0.197 4.283 4.480 -0.000 0.000 0.264 961 M C 1.947 178.123 176.300 -0.208 0.000 1.063 961 M CA 2.046 57.167 55.300 -0.298 0.000 1.119 961 M CB -0.517 31.967 32.600 -0.194 0.000 1.377 961 M HN 0.183 nan 8.290 nan 0.000 0.415 962 T N -0.337 114.137 114.554 -0.134 0.000 2.777 962 T HA -0.162 4.188 4.350 -0.000 0.000 0.266 962 T C 1.872 176.520 174.700 -0.086 0.000 1.040 962 T CA 1.259 63.304 62.100 -0.092 0.000 1.141 962 T CB -0.443 68.393 68.868 -0.053 0.000 0.868 962 T HN 0.517 nan 8.240 nan 0.000 0.444 963 C N 1.941 121.196 119.300 -0.075 0.000 2.435 963 C HA -0.010 4.450 4.460 -0.000 0.000 0.279 963 C C 2.565 177.493 174.990 -0.103 0.000 1.321 963 C CA 0.465 59.461 59.018 -0.037 0.000 1.752 963 C CB -1.419 26.337 27.740 0.025 0.000 1.959 963 C HN 0.454 nan 8.230 nan 0.000 0.500 964 N N 1.280 119.858 118.700 -0.204 0.000 2.135 964 N HA -0.052 4.688 4.740 -0.000 0.000 0.186 964 N C 0.950 176.351 175.510 -0.182 0.000 1.027 964 N CA 1.562 54.469 53.050 -0.239 0.000 0.849 964 N CB -0.464 37.773 38.487 -0.416 0.000 1.002 964 N HN 0.546 nan 8.380 nan 0.000 0.425 965 D N -1.175 119.122 120.400 -0.171 0.000 2.369 965 D HA 0.198 4.838 4.640 -0.000 0.000 0.211 965 D C 0.194 176.421 176.300 -0.122 0.000 1.077 965 D CA 0.304 54.222 54.000 -0.136 0.000 0.842 965 D CB 0.410 41.136 40.800 -0.123 0.000 0.947 965 D HN 0.006 nan 8.370 nan 0.000 0.509 966 S N -0.999 114.626 115.700 -0.124 0.000 2.911 966 S HA 0.422 4.892 4.470 -0.000 0.000 0.261 966 S C 0.712 175.233 174.600 -0.131 0.000 1.021 966 S CA -0.231 57.903 58.200 -0.110 0.000 1.222 966 S CB 1.863 65.019 63.200 -0.073 0.000 1.171 966 S HN 0.301 nan 8.310 nan 0.000 0.669 967 G N 0.475 109.171 108.800 -0.173 0.000 3.366 967 G HA2 0.486 4.446 3.960 -0.000 0.000 0.179 967 G HA3 0.486 4.446 3.960 -0.000 0.000 0.179 967 G C -0.904 173.693 174.900 -0.506 0.000 1.143 967 G CA -0.299 44.675 45.100 -0.210 0.000 0.810 967 G HN 0.251 nan 8.290 nan 0.000 0.697 968 Y N 0.451 120.748 120.300 -0.005 0.000 2.706 968 Y HA 0.339 4.889 4.550 -0.000 0.000 0.255 968 Y C 0.522 176.425 175.900 0.006 0.000 1.163 968 Y CA -0.618 57.486 58.100 0.007 0.000 1.174 968 Y CB 0.640 39.117 38.460 0.027 0.000 1.200 968 Y HN 0.288 nan 8.280 nan 0.000 0.544 969 Q N -0.040 119.796 119.800 0.061 0.000 2.435 969 Q HA -0.241 4.099 4.340 -0.000 0.000 0.312 969 Q C 0.948 177.012 176.000 0.106 0.000 1.333 969 Q CA 0.897 56.726 55.803 0.043 0.000 0.883 969 Q CB -1.693 27.056 28.738 0.017 0.000 1.170 969 Q HN 0.577 nan 8.270 nan 0.000 0.443 970 A N -0.767 122.133 122.820 0.134 0.000 2.348 970 A HA 0.404 4.724 4.320 -0.000 0.000 0.224 970 A C 0.460 178.126 177.584 0.137 0.000 1.227 970 A CA -0.080 52.036 52.037 0.131 0.000 0.885 970 A CB 0.556 19.631 19.000 0.126 0.000 0.933 970 A HN 0.413 nan 8.150 nan 0.000 0.506 971 I N 0.733 121.411 120.570 0.179 0.000 2.404 971 I HA 0.211 4.381 4.170 -0.000 0.000 0.293 971 I C -0.467 175.824 176.117 0.291 0.000 0.992 971 I CA -0.452 60.980 61.300 0.221 0.000 1.149 971 I CB 1.830 39.979 38.000 0.248 0.000 1.315 971 I HN 0.232 nan 8.210 nan 0.000 0.446 972 Q N 5.052 124.964 119.800 0.187 0.000 2.257 972 Q HA 0.389 4.729 4.340 -0.000 0.000 0.255 972 Q C -1.262 174.786 176.000 0.080 0.000 0.920 972 Q CA -0.479 55.407 55.803 0.137 0.000 0.927 972 Q CB 2.269 31.061 28.738 0.089 0.000 1.229 972 Q HN 0.410 nan 8.270 nan 0.000 0.433 973 F N 2.538 122.283 119.950 -0.342 0.000 2.382 973 F HA 0.199 4.726 4.527 0.000 0.000 0.361 973 F C -0.393 175.285 175.800 -0.203 0.000 1.109 973 F CA -1.582 56.145 58.000 -0.456 0.000 1.031 973 F CB 0.912 39.194 39.000 -1.196 0.000 1.234 973 F HN 0.492 nan 8.300 nan 0.000 0.445 974 D N 8.112 128.327 120.400 -0.307 0.000 2.450 974 D HA 0.095 4.735 4.640 -0.000 0.000 0.247 974 D C -1.450 174.734 176.300 -0.193 0.000 1.162 974 D CA -0.993 52.886 54.000 -0.202 0.000 0.879 974 D CB 1.234 41.941 40.800 -0.154 0.000 1.163 974 D HN 0.296 nan 8.370 nan 0.000 0.472 975 P HA -0.124 nan 4.420 nan 0.000 0.226 975 P C 0.326 177.713 177.300 0.146 0.000 1.153 975 P CA 0.942 64.092 63.100 0.083 0.000 0.777 975 P CB 0.486 32.237 31.700 0.085 0.000 0.794 976 E N -0.540 119.713 120.200 0.088 0.000 2.206 976 E HA -0.002 4.348 4.350 -0.000 0.000 0.195 976 E C 1.956 178.701 176.600 0.243 0.000 0.935 976 E CA 1.553 58.056 56.400 0.172 0.000 0.875 976 E CB -0.872 28.911 29.700 0.139 0.000 0.841 976 E HN 0.352 nan 8.360 nan 0.000 0.477 977 T N -2.969 111.583 114.554 -0.003 0.000 3.044 977 T HA 0.051 4.401 4.350 -0.000 0.000 0.250 977 T C 0.472 175.236 174.700 0.106 0.000 1.081 977 T CA 0.169 62.152 62.100 -0.195 0.000 1.040 977 T CB -0.346 68.246 68.868 -0.459 0.000 0.962 977 T HN 0.284 nan 8.240 nan 0.000 0.506 978 H N 0.514 119.493 119.070 -0.152 0.000 2.791 978 H HA -0.094 4.462 4.556 0.000 0.000 0.302 978 H C -0.849 174.247 175.328 -0.387 0.000 1.198 978 H CA -0.140 55.559 56.048 -0.582 0.000 1.145 978 H CB -1.731 27.978 29.762 -0.089 0.000 1.385 978 H HN 0.429 nan 8.280 nan 0.000 0.409 979 L N 1.940 123.041 121.223 -0.203 0.000 2.307 979 L HA 0.454 4.794 4.340 -0.000 0.000 0.284 979 L C -2.000 174.886 176.870 0.027 0.000 1.023 979 L CA -1.760 53.062 54.840 -0.030 0.000 0.810 979 L CB 1.573 43.590 42.059 -0.069 0.000 1.231 979 L HN -0.035 nan 8.230 nan 0.000 0.423 980 P HA 0.316 nan 4.420 nan 0.000 0.290 980 P C -1.118 176.246 177.300 0.108 0.000 1.275 980 P CA -0.461 62.768 63.100 0.215 0.000 0.841 980 P CB 1.973 33.823 31.700 0.251 0.000 1.042 981 T N 1.233 115.846 114.554 0.099 0.000 2.937 981 T HA 0.242 4.592 4.350 -0.000 0.000 0.297 981 T C -0.199 174.550 174.700 0.082 0.000 0.991 981 T CA -0.390 61.751 62.100 0.069 0.000 0.990 981 T CB 0.944 69.840 68.868 0.047 0.000 0.991 981 T HN 0.073 nan 8.240 nan 0.000 0.440 982 V N 4.752 124.708 119.914 0.070 0.000 2.508 982 V HA 0.360 4.480 4.120 -0.000 0.000 0.281 982 V C 1.265 177.395 176.094 0.061 0.000 1.041 982 V CA -0.281 62.061 62.300 0.071 0.000 1.016 982 V CB 0.783 32.640 31.823 0.056 0.000 0.984 982 V HN 1.086 nan 8.190 nan 0.000 0.478 983 T N 0.359 114.954 114.554 0.068 0.000 2.880 983 T HA 0.242 4.592 4.350 -0.000 0.000 0.279 983 T C 0.770 175.498 174.700 0.048 0.000 0.990 983 T CA -0.354 61.780 62.100 0.057 0.000 0.938 983 T CB 0.966 69.873 68.868 0.065 0.000 1.206 983 T HN 0.538 nan 8.240 nan 0.000 0.573 984 D N -0.103 120.321 120.400 0.040 0.000 2.378 984 D HA -0.021 4.619 4.640 -0.000 0.000 0.227 984 D C 1.888 178.207 176.300 0.032 0.000 1.012 984 D CA 1.173 55.193 54.000 0.033 0.000 0.905 984 D CB -0.332 40.484 40.800 0.026 0.000 0.895 984 D HN 0.749 nan 8.370 nan 0.000 0.532 985 T N -2.658 111.921 114.554 0.041 0.000 3.129 985 T HA 0.018 4.368 4.350 -0.000 0.000 0.251 985 T C 1.235 175.952 174.700 0.029 0.000 1.117 985 T CA -0.433 61.692 62.100 0.041 0.000 1.034 985 T CB -1.010 67.898 68.868 0.068 0.000 0.968 985 T HN 0.179 nan 8.240 nan 0.000 0.526 986 C N 4.035 123.353 119.300 0.030 0.000 2.642 986 C HA 0.376 4.836 4.460 -0.000 0.000 0.420 986 C C 2.110 177.074 174.990 -0.044 0.000 1.349 986 C CA 0.591 59.613 59.018 0.006 0.000 1.821 986 C CB -0.116 27.638 27.740 0.024 0.000 2.637 986 C HN 0.707 nan 8.230 nan 0.000 0.605 987 T N 1.189 115.643 114.554 -0.166 0.000 3.054 987 T HA 0.320 4.670 4.350 -0.000 0.000 0.255 987 T C 1.272 175.872 174.700 -0.167 0.000 1.035 987 T CA 0.880 62.872 62.100 -0.180 0.000 0.941 987 T CB -0.033 68.502 68.868 -0.556 0.000 1.026 987 T HN 2.184 nan 8.240 nan 0.000 0.533 988 G N 1.272 110.009 108.800 -0.104 0.000 2.160 988 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.251 988 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.251 988 G C 1.306 176.172 174.900 -0.057 0.000 1.008 988 G CA 0.464 45.516 45.100 -0.079 0.000 0.724 988 G HN 1.222 nan 8.290 nan 0.000 0.514 989 C N -2.057 117.228 119.300 -0.026 0.000 2.411 989 C HA 0.205 4.665 4.460 -0.000 0.000 0.279 989 C C 2.283 177.290 174.990 0.030 0.000 1.288 989 C CA 1.627 60.666 59.018 0.035 0.000 1.764 989 C CB -1.162 26.669 27.740 0.152 0.000 1.974 989 C HN 1.679 nan 8.230 nan 0.000 0.498 990 T N -0.361 114.208 114.554 0.024 0.000 5.686 990 T HA -0.208 4.142 4.350 -0.000 0.000 0.270 990 T C 0.555 175.268 174.700 0.022 0.000 2.203 990 T CA 0.989 63.099 62.100 0.016 0.000 3.730 990 T CB -1.966 66.904 68.868 0.003 0.000 0.770 990 T HN 0.699 nan 8.240 nan 0.000 1.144 991 L N 0.842 122.086 121.223 0.035 0.000 2.046 991 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 991 L C 3.090 179.969 176.870 0.015 0.000 1.077 991 L CA 2.293 57.148 54.840 0.024 0.000 0.747 991 L CB -0.485 41.592 42.059 0.029 0.000 0.896 991 L HN 0.862 nan 8.230 nan 0.000 0.432 992 C N -1.138 118.176 119.300 0.022 0.000 2.413 992 C HA -0.211 4.249 4.460 -0.000 0.000 0.276 992 C C 2.576 177.574 174.990 0.012 0.000 1.236 992 C CA 0.572 59.600 59.018 0.016 0.000 1.735 992 C CB -1.306 26.452 27.740 0.031 0.000 2.031 992 C HN 0.575 nan 8.230 nan 0.000 0.474 993 L N 1.789 123.021 121.223 0.015 0.000 2.079 993 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 993 L C 2.638 179.512 176.870 0.007 0.000 1.081 993 L CA 2.179 57.026 54.840 0.011 0.000 0.752 993 L CB -0.434 41.631 42.059 0.009 0.000 0.896 993 L HN 0.438 nan 8.230 nan 0.000 0.433 994 S N -0.755 114.949 115.700 0.006 0.000 2.447 994 S HA -0.112 4.358 4.470 -0.000 0.000 0.233 994 S C 1.596 176.195 174.600 -0.002 0.000 1.006 994 S CA 1.276 59.477 58.200 0.002 0.000 0.957 994 S CB -0.139 63.063 63.200 0.002 0.000 0.773 994 S HN 0.601 nan 8.310 nan 0.000 0.507 995 V N -1.861 118.050 119.914 -0.005 0.000 3.660 995 V HA 0.343 4.463 4.120 -0.000 0.000 0.276 995 V C 0.864 176.952 176.094 -0.010 0.000 1.317 995 V CA -0.733 61.560 62.300 -0.012 0.000 1.097 995 V CB -0.980 30.830 31.823 -0.021 0.000 0.863 995 V HN 0.449 nan 8.190 nan 0.000 0.438 996 C N 4.580 123.878 119.300 -0.003 0.000 2.634 996 C HA 0.367 4.827 4.460 -0.000 0.000 0.418 996 C C 0.480 175.472 174.990 0.003 0.000 1.373 996 C CA -0.306 58.712 59.018 0.001 0.000 1.756 996 C CB 0.725 28.471 27.740 0.009 0.000 2.589 996 C HN 0.599 nan 8.230 nan 0.000 0.602 997 P HA 0.043 nan 4.420 nan 0.000 0.229 997 P C 0.148 177.458 177.300 0.016 0.000 1.160 997 P CA 0.962 64.065 63.100 0.005 0.000 0.777 997 P CB -0.012 31.689 31.700 0.001 0.000 0.814 998 I N 1.695 122.276 120.570 0.018 0.000 2.312 998 I HA 0.216 4.386 4.170 -0.000 0.000 0.290 998 I C 0.994 177.137 176.117 0.045 0.000 1.008 998 I CA -1.896 59.423 61.300 0.032 0.000 1.226 998 I CB 0.642 38.641 38.000 -0.002 0.000 1.371 998 I HN -0.167 nan 8.210 nan 0.000 0.468 999 I N 6.669 127.279 120.570 0.067 0.000 2.742 999 I HA -0.074 4.096 4.170 -0.000 0.000 0.287 999 I C 0.622 176.781 176.117 0.070 0.000 1.186 999 I CA 0.628 61.964 61.300 0.060 0.000 1.417 999 I CB -0.033 38.000 38.000 0.055 0.000 1.377 999 I HN 0.595 nan 8.210 nan 0.000 0.556 1000 D N 2.770 123.197 120.400 0.045 0.000 3.076 1000 D HA -0.224 4.416 4.640 -0.000 0.000 0.218 1000 D C 1.115 177.436 176.300 0.035 0.000 1.156 1000 D CA 0.992 55.016 54.000 0.039 0.000 0.921 1000 D CB -1.382 39.445 40.800 0.045 0.000 1.113 1000 D HN 0.820 nan 8.370 nan 0.000 0.418 1001 C N 0.216 119.533 119.300 0.028 0.000 2.457 1001 C HA 0.106 4.566 4.460 -0.000 0.000 0.278 1001 C C 1.197 176.197 174.990 0.015 0.000 1.309 1001 C CA 0.214 59.239 59.018 0.012 0.000 1.735 1001 C CB -0.459 27.282 27.740 0.001 0.000 1.992 1001 C HN 0.335 nan 8.230 nan 0.000 0.493 1002 I N 1.248 121.829 120.570 0.018 0.000 2.412 1002 I HA 0.468 4.638 4.170 -0.000 0.000 0.296 1002 I C -0.141 175.984 176.117 0.015 0.000 0.987 1002 I CA -0.247 61.064 61.300 0.018 0.000 1.180 1002 I CB 1.134 39.146 38.000 0.020 0.000 1.340 1002 I HN 0.207 nan 8.210 nan 0.000 0.455 1003 R N 5.426 125.933 120.500 0.012 0.000 2.725 1003 R HA 0.610 4.950 4.340 -0.000 0.000 0.277 1003 R C -1.272 175.029 176.300 0.002 0.000 0.987 1003 R CA -1.081 55.023 56.100 0.007 0.000 0.901 1003 R CB 2.274 32.578 30.300 0.007 0.000 1.207 1003 R HN 0.389 nan 8.270 nan 0.000 0.463 1004 M N 2.919 122.516 119.600 -0.005 0.000 2.157 1004 M HA 0.302 4.782 4.480 -0.000 0.000 0.354 1004 M C -0.192 176.099 176.300 -0.015 0.000 1.170 1004 M CA -0.750 54.542 55.300 -0.012 0.000 1.060 1004 M CB 0.975 33.562 32.600 -0.021 0.000 1.615 1004 M HN 0.486 nan 8.290 nan 0.000 0.460 1005 V N 0.361 120.267 119.914 -0.014 0.000 3.001 1005 V HA 0.698 4.818 4.120 -0.000 0.000 0.314 1005 V C 0.206 176.289 176.094 -0.019 0.000 1.099 1005 V CA -0.922 61.370 62.300 -0.014 0.000 0.989 1005 V CB 1.729 33.548 31.823 -0.005 0.000 1.040 1005 V HN 0.788 nan 8.190 nan 0.000 0.434 1006 S N 2.345 118.033 115.700 -0.019 0.000 2.558 1006 S HA 0.209 4.679 4.470 -0.000 0.000 0.293 1006 S C 0.422 175.014 174.600 -0.013 0.000 1.292 1006 S CA -0.154 58.033 58.200 -0.022 0.000 1.063 1006 S CB -0.156 63.034 63.200 -0.018 0.000 0.831 1006 S HN 0.737 nan 8.310 nan 0.000 0.499 1007 R N 1.355 121.846 120.500 -0.015 0.000 2.590 1007 R HA 0.051 4.391 4.340 -0.000 0.000 0.274 1007 R C 1.428 177.734 176.300 0.010 0.000 1.061 1007 R CA 0.348 56.450 56.100 0.004 0.000 1.081 1007 R CB 0.249 30.559 30.300 0.017 0.000 0.984 1007 R HN 0.822 nan 8.270 nan 0.000 0.448 1008 T N -2.352 112.211 114.554 0.015 0.000 3.122 1008 T HA 0.034 4.384 4.350 -0.000 0.000 0.250 1008 T C 0.440 175.150 174.700 0.018 0.000 1.067 1008 T CA -0.044 62.064 62.100 0.013 0.000 0.966 1008 T CB -0.035 68.839 68.868 0.011 0.000 1.002 1008 T HN 0.672 nan 8.240 nan 0.000 0.542 1009 T N -1.200 113.371 114.554 0.028 0.000 2.923 1009 T HA 0.574 4.924 4.350 -0.000 0.000 0.311 1009 T C -3.471 171.258 174.700 0.048 0.000 1.183 1009 T CA -1.766 60.352 62.100 0.030 0.000 1.020 1009 T CB 1.337 70.220 68.868 0.024 0.000 1.165 1009 T HN -0.215 nan 8.240 nan 0.000 0.482 1010 P HA 0.091 nan 4.420 nan 0.000 0.260 1010 P C -1.026 176.323 177.300 0.082 0.000 1.172 1010 P CA -0.052 63.083 63.100 0.058 0.000 0.760 1010 P CB -0.116 31.602 31.700 0.030 0.000 0.773 1011 Y N 3.013 123.302 120.300 -0.018 0.000 2.346 1011 Y HA 0.195 4.745 4.550 0.000 0.000 0.330 1011 Y C 0.447 176.336 175.900 -0.018 0.000 1.178 1011 Y CA -0.159 57.926 58.100 -0.023 0.000 1.331 1011 Y CB 0.780 39.222 38.460 -0.030 0.000 1.253 1011 Y HN 0.365 nan 8.280 nan 0.000 0.529 1012 E N 7.597 127.325 120.200 -0.786 0.000 2.279 1012 E HA 0.381 4.731 4.350 -0.000 0.000 0.252 1012 E C -2.766 173.373 176.600 -0.769 0.000 0.894 1012 E CA -2.409 53.643 56.400 -0.579 0.000 0.785 1012 E CB 0.983 30.519 29.700 -0.274 0.000 1.237 1012 E HN 0.489 nan 8.360 nan 0.000 0.418 1013 P HA -0.018 nan 4.420 nan 0.000 0.265 1013 P C -1.149 176.059 177.300 -0.155 0.000 1.193 1013 P CA 0.147 63.072 63.100 -0.292 0.000 0.765 1013 P CB 0.437 32.118 31.700 -0.032 0.000 0.823 1014 K N 3.674 124.032 120.400 -0.071 0.000 2.316 1014 K HA 0.167 4.487 4.320 -0.000 0.000 0.289 1014 K C 0.996 177.609 176.600 0.022 0.000 1.070 1014 K CA -0.383 55.899 56.287 -0.009 0.000 0.928 1014 K CB 0.868 33.406 32.500 0.063 0.000 1.039 1014 K HN 0.232 nan 8.250 nan 0.000 0.480 1015 R N 1.635 122.138 120.500 0.005 0.000 2.312 1015 R HA 0.064 4.404 4.340 -0.000 0.000 0.205 1015 R C 1.378 177.687 176.300 0.015 0.000 0.904 1015 R CA 0.579 56.687 56.100 0.013 0.000 1.052 1015 R CB 0.077 30.379 30.300 0.002 0.000 1.014 1015 R HN 1.073 nan 8.270 nan 0.000 0.503 1016 G N 1.626 110.435 108.800 0.016 0.000 2.480 1016 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.246 1016 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.246 1016 G C 0.377 175.281 174.900 0.006 0.000 1.073 1016 G CA 0.762 45.870 45.100 0.013 0.000 0.643 1016 G HN 0.387 nan 8.290 nan 0.000 0.525 1017 L N 0.000 121.226 121.223 0.005 0.000 2.949 1017 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 1017 L CA 0.000 54.841 54.840 0.002 0.000 0.813 1017 L CB 0.000 42.058 42.059 -0.001 0.000 0.961 1017 L HN 0.000 nan 8.230 nan 0.000 0.502