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 1h7w_1_C DATA FIRST_RESID 2 DATA SEQUENCE APVLSKDVAD IESILALNPR TQSHAALHST LAKKLDKKHW KRNPDKNCFH DATA SEQUENCE CEKLENNFDD IKHTTLGERG ALREAMRCLK CADAPCQKSC PTHLDIKSFI DATA SEQUENCE TSISNKNYYG AAKMIFSDNP LGLTCGMVCP TSDLCVGGCN LYATEEGSIN DATA SEQUENCE IGGLQQFASE VFKAMNIPQI RNPCLPSQEK MPEAYSAKIA LLGAGPASIS DATA SEQUENCE CASFLARLGY SDITIFEKQE YVGGLSTSEI PQFRLPYDVV NFEIELMKDL DATA SEQUENCE GVKIICGKSL SENEITLNTL KEEGYKAAFI GIGLPEPKTD DIFQGLTQDQ DATA SEQUENCE GFYTSKDFLP LVAKSSKAGM CACHSPLPSI RGAVIVLGAG DTAFDCATSA DATA SEQUENCE LRCGARRVFL VFRKGFVNIR AVPEEVELAK EEKCEFLPFL SPRKVIVKGG DATA SEQUENCE RIVAVQFVRT EQDETGKWNE DEDQIVHLKA DVVISAFGSV LRDPKVKEAL DATA SEQUENCE SPIKFNRWDL PEVDPETMQT SEPWVFAGGD IVGMANTTVE SVNDGKQASW DATA SEQUENCE YIHKYIQAQY GASVSAKPEL PLFYTPVDLV DISVEMAGLK FINPFGLASA DATA SEQUENCE APTTSSSMIR RAFEAGWGFA LTKTFSLDKD IVTNVSPRIV RGTTSGPMYG DATA SEQUENCE PGQSSFLNIE LISEKTAAYW CQSVTELKAD FPDNIVIASI MCSYNKNDWM DATA SEQUENCE ELSRKAEASG ADALELNLSC 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 0.323 nan 4.420 nan 0.000 0.272 3 P C -0.410 176.891 177.300 0.001 0.000 1.239 3 P CA -0.479 62.623 63.100 0.002 0.000 0.807 3 P CB 0.250 31.952 31.700 0.003 0.000 0.951 4 V N 2.115 122.029 119.914 0.001 0.000 2.381 4 V HA -0.007 4.113 4.120 -0.000 0.000 0.257 4 V C 1.688 177.781 176.094 -0.001 0.000 1.057 4 V CA 0.171 62.471 62.300 -0.000 0.000 1.013 4 V CB -0.292 31.531 31.823 -0.000 0.000 1.069 4 V HN 0.504 nan 8.190 nan 0.000 0.484 5 L N 3.697 124.919 121.223 -0.002 0.000 2.079 5 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 5 L C 2.257 179.124 176.870 -0.005 0.000 1.081 5 L CA 1.743 56.581 54.840 -0.002 0.000 0.752 5 L CB -0.366 41.691 42.059 -0.003 0.000 0.896 5 L HN 0.841 nan 8.230 nan 0.000 0.433 6 S N -1.423 114.273 115.700 -0.007 0.000 2.710 6 S HA 0.075 4.545 4.470 -0.000 0.000 0.224 6 S C 0.368 174.961 174.600 -0.011 0.000 0.948 6 S CA -0.252 57.942 58.200 -0.011 0.000 0.949 6 S CB -0.215 62.977 63.200 -0.013 0.000 0.778 6 S HN 0.272 nan 8.310 nan 0.000 0.498 7 K N 1.177 121.573 120.400 -0.006 0.000 2.371 7 K HA 0.288 4.608 4.320 -0.000 0.000 0.251 7 K C -1.532 175.067 176.600 -0.001 0.000 0.934 7 K CA -0.653 55.632 56.287 -0.004 0.000 0.798 7 K CB 1.126 33.625 32.500 -0.001 0.000 1.204 7 K HN 0.064 nan 8.250 nan 0.000 0.427 8 D N 3.017 123.417 120.400 -0.001 0.000 2.390 8 D HA 0.046 4.686 4.640 -0.000 0.000 0.249 8 D C 0.534 176.841 176.300 0.011 0.000 1.144 8 D CA -0.073 53.930 54.000 0.005 0.000 0.880 8 D CB 1.237 42.040 40.800 0.005 0.000 1.182 8 D HN 0.362 nan 8.370 nan 0.000 0.451 9 V N -0.038 119.885 119.914 0.015 0.000 3.264 9 V HA 0.337 4.457 4.120 -0.000 0.000 0.304 9 V C 1.600 177.708 176.094 0.022 0.000 1.086 9 V CA -0.089 62.221 62.300 0.017 0.000 1.090 9 V CB 0.611 32.445 31.823 0.018 0.000 1.112 9 V HN 0.614 nan 8.190 nan 0.000 0.472 10 A N 1.618 124.451 122.820 0.022 0.000 1.884 10 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 10 A C 1.730 179.334 177.584 0.034 0.000 1.197 10 A CA 2.498 54.551 52.037 0.026 0.000 0.637 10 A CB -1.233 17.781 19.000 0.024 0.000 0.827 10 A HN 1.201 nan 8.150 nan 0.000 0.450 11 D N -0.168 120.253 120.400 0.035 0.000 2.218 11 D HA -0.134 4.506 4.640 -0.000 0.000 0.204 11 D C 1.511 177.843 176.300 0.052 0.000 0.976 11 D CA 1.095 55.121 54.000 0.043 0.000 0.853 11 D CB -0.458 40.366 40.800 0.041 0.000 0.939 11 D HN 0.384 nan 8.370 nan 0.000 0.481 12 I N 0.601 121.198 120.570 0.046 0.000 2.406 12 I HA -0.077 4.093 4.170 -0.000 0.000 0.249 12 I C 2.341 178.487 176.117 0.050 0.000 1.122 12 I CA 0.673 62.002 61.300 0.048 0.000 1.431 12 I CB -1.099 36.921 38.000 0.034 0.000 1.087 12 I HN 0.054 nan 8.210 nan 0.000 0.424 13 E N 1.081 121.306 120.200 0.042 0.000 2.085 13 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 13 E C 2.427 179.065 176.600 0.063 0.000 0.994 13 E CA 1.989 58.414 56.400 0.043 0.000 0.801 13 E CB -0.176 29.544 29.700 0.035 0.000 0.743 13 E HN 0.242 nan 8.360 nan 0.000 0.453 14 S N -0.688 115.052 115.700 0.066 0.000 2.356 14 S HA -0.107 4.363 4.470 -0.000 0.000 0.223 14 S C 2.042 176.710 174.600 0.113 0.000 1.032 14 S CA 1.186 59.434 58.200 0.079 0.000 1.005 14 S CB -0.448 62.791 63.200 0.066 0.000 0.867 14 S HN 0.479 nan 8.310 nan 0.000 0.449 15 I N 0.930 121.573 120.570 0.122 0.000 2.286 15 I HA -0.094 4.076 4.170 -0.000 0.000 0.248 15 I C 1.387 177.665 176.117 0.269 0.000 1.115 15 I CA 1.195 62.605 61.300 0.184 0.000 1.392 15 I CB -0.012 38.087 38.000 0.164 0.000 1.065 15 I HN 0.323 nan 8.210 nan 0.000 0.418 16 L N 0.482 121.806 121.223 0.168 0.000 2.610 16 L HA 0.027 4.367 4.340 -0.000 0.000 0.232 16 L C 2.518 179.496 176.870 0.180 0.000 1.149 16 L CA 0.342 55.260 54.840 0.130 0.000 0.872 16 L CB -0.679 41.396 42.059 0.027 0.000 0.992 16 L HN 0.246 nan 8.230 nan 0.000 0.447 17 A N 0.516 123.455 122.820 0.198 0.000 1.903 17 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 17 A C 1.870 179.574 177.584 0.200 0.000 1.191 17 A CA 1.824 53.961 52.037 0.167 0.000 0.638 17 A CB -0.414 18.672 19.000 0.143 0.000 0.823 17 A HN 0.357 nan 8.150 nan 0.000 0.451 18 L N -0.242 121.170 121.223 0.315 0.000 2.611 18 L HA 0.217 4.557 4.340 -0.000 0.000 0.229 18 L C 0.563 177.660 176.870 0.379 0.000 1.137 18 L CA -0.100 54.939 54.840 0.331 0.000 0.901 18 L CB -1.041 41.225 42.059 0.346 0.000 1.098 18 L HN 0.347 nan 8.230 nan 0.000 0.456 19 N N 0.715 119.576 118.700 0.268 0.000 2.492 19 N HA 0.106 4.846 4.740 -0.000 0.000 0.262 19 N C -2.399 173.123 175.510 0.020 0.000 1.202 19 N CA -1.296 51.769 53.050 0.024 0.000 0.926 19 N CB 0.628 39.031 38.487 -0.140 0.000 1.078 19 N HN -0.112 nan 8.380 nan 0.000 0.454 20 P HA 0.108 nan 4.420 nan 0.000 0.264 20 P C -0.940 176.347 177.300 -0.021 0.000 1.193 20 P CA 0.586 63.675 63.100 -0.019 0.000 0.763 20 P CB 0.457 32.129 31.700 -0.046 0.000 0.810 21 R N 0.956 121.454 120.500 -0.004 0.000 2.522 21 R HA 0.319 4.659 4.340 -0.000 0.000 0.283 21 R C -0.402 175.899 176.300 0.001 0.000 1.074 21 R CA -0.696 55.402 56.100 -0.004 0.000 0.925 21 R CB 1.613 31.918 30.300 0.008 0.000 1.205 21 R HN 0.406 nan 8.270 nan 0.000 0.436 22 T N 0.570 115.120 114.554 -0.006 0.000 2.916 22 T HA 0.112 4.462 4.350 -0.000 0.000 0.303 22 T C 0.291 174.994 174.700 0.004 0.000 1.025 22 T CA -0.739 61.358 62.100 -0.006 0.000 1.142 22 T CB 0.988 69.847 68.868 -0.016 0.000 0.947 22 T HN 0.213 nan 8.240 nan 0.000 0.544 23 Q N 2.174 121.981 119.800 0.012 0.000 2.259 23 Q HA 0.301 4.641 4.340 -0.000 0.000 0.246 23 Q C 1.132 177.130 176.000 -0.004 0.000 0.920 23 Q CA -0.318 55.503 55.803 0.030 0.000 0.895 23 Q CB 1.633 30.403 28.738 0.052 0.000 1.220 23 Q HN 0.972 nan 8.270 nan 0.000 0.439 24 S N 0.574 116.269 115.700 -0.009 0.000 2.575 24 S HA 0.108 4.578 4.470 -0.000 0.000 0.215 24 S C -0.008 174.312 174.600 -0.468 0.000 0.966 24 S CA 0.131 58.211 58.200 -0.200 0.000 0.911 24 S CB 0.060 63.130 63.200 -0.217 0.000 0.780 24 S HN 0.626 nan 8.310 nan 0.000 0.514 25 H N 0.046 119.116 119.070 -0.000 0.000 2.977 25 H HA 0.746 5.302 4.556 -0.000 0.000 0.350 25 H C -0.268 175.061 175.328 0.001 0.000 1.238 25 H CA -0.468 55.579 56.048 -0.002 0.000 1.124 25 H CB 1.083 30.841 29.762 -0.007 0.000 1.866 25 H HN 0.250 nan 8.280 nan 0.000 0.550 26 A N 0.797 123.697 122.820 0.134 0.000 2.351 26 A HA 0.641 4.961 4.320 -0.000 0.000 0.257 26 A C 0.189 177.812 177.584 0.066 0.000 1.087 26 A CA 0.122 52.204 52.037 0.076 0.000 0.798 26 A CB -0.153 18.878 19.000 0.053 0.000 1.033 26 A HN 0.789 nan 8.150 nan 0.000 0.488 27 A N 0.419 123.274 122.820 0.059 0.000 2.302 27 A HA 0.594 4.914 4.320 -0.000 0.000 0.285 27 A C -0.556 177.004 177.584 -0.039 0.000 1.105 27 A CA -0.318 51.738 52.037 0.031 0.000 0.816 27 A CB 0.382 19.475 19.000 0.155 0.000 1.067 27 A HN 1.238 nan 8.150 nan 0.000 0.489 28 L N 2.822 123.905 121.223 -0.233 0.000 2.342 28 L HA 0.520 4.860 4.340 -0.000 0.000 0.276 28 L C -1.138 175.435 176.870 -0.495 0.000 0.997 28 L CA 0.168 54.868 54.840 -0.233 0.000 0.838 28 L CB 0.791 42.750 42.059 -0.167 0.000 1.224 28 L HN 0.733 nan 8.230 nan 0.000 0.416 29 H N 2.526 121.606 119.070 0.016 0.000 3.017 29 H HA 0.328 4.884 4.556 -0.000 0.000 0.340 29 H C -0.416 174.923 175.328 0.019 0.000 1.014 29 H CA -0.567 55.493 56.048 0.020 0.000 1.341 29 H CB 1.937 31.714 29.762 0.025 0.000 1.739 29 H HN 0.632 nan 8.280 nan 0.000 0.506 30 S N 1.831 117.596 115.700 0.109 0.000 2.576 30 S HA -0.005 4.465 4.470 -0.000 0.000 0.272 30 S C 1.183 175.829 174.600 0.076 0.000 1.352 30 S CA 0.096 58.338 58.200 0.070 0.000 1.021 30 S CB 1.091 64.319 63.200 0.047 0.000 0.887 30 S HN 0.582 nan 8.310 nan 0.000 0.542 31 T N 1.654 116.240 114.554 0.054 0.000 2.788 31 T HA -0.095 4.255 4.350 -0.000 0.000 0.268 31 T C 1.621 176.348 174.700 0.044 0.000 1.044 31 T CA 1.411 63.539 62.100 0.047 0.000 1.139 31 T CB -0.527 68.363 68.868 0.036 0.000 0.867 31 T HN 0.544 nan 8.240 nan 0.000 0.454 32 L N 1.487 122.734 121.223 0.040 0.000 2.046 32 L HA 0.096 4.436 4.340 -0.000 0.000 0.208 32 L C 2.588 179.483 176.870 0.041 0.000 1.077 32 L CA 1.912 56.773 54.840 0.035 0.000 0.747 32 L CB -1.092 40.984 42.059 0.029 0.000 0.896 32 L HN 0.207 nan 8.230 nan 0.000 0.432 33 A N -0.762 122.090 122.820 0.053 0.000 1.902 33 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 33 A C 2.294 179.915 177.584 0.060 0.000 1.181 33 A CA 1.655 53.730 52.037 0.062 0.000 0.623 33 A CB -0.501 18.556 19.000 0.094 0.000 0.818 33 A HN 0.387 nan 8.150 nan 0.000 0.443 34 K N 0.097 120.534 120.400 0.062 0.000 2.057 34 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 34 K C 1.932 178.563 176.600 0.051 0.000 1.050 34 K CA 1.594 57.911 56.287 0.050 0.000 0.935 34 K CB -0.359 32.168 32.500 0.046 0.000 0.715 34 K HN 0.529 nan 8.250 nan 0.000 0.439 35 K N 0.740 121.167 120.400 0.044 0.000 2.103 35 K HA -0.095 4.225 4.320 -0.000 0.000 0.207 35 K C 2.282 178.905 176.600 0.038 0.000 1.048 35 K CA 1.023 57.334 56.287 0.039 0.000 0.930 35 K CB -0.134 32.385 32.500 0.033 0.000 0.716 35 K HN 0.047 nan 8.250 nan 0.000 0.444 36 L N 0.487 121.731 121.223 0.035 0.000 2.005 36 L HA -0.206 4.134 4.340 -0.000 0.000 0.207 36 L C 2.184 179.073 176.870 0.031 0.000 1.072 36 L CA 1.372 56.227 54.840 0.024 0.000 0.744 36 L CB -0.351 41.718 42.059 0.017 0.000 0.895 36 L HN 0.182 nan 8.230 nan 0.000 0.433 37 D N -0.001 120.433 120.400 0.056 0.000 2.178 37 D HA -0.233 4.407 4.640 -0.000 0.000 0.201 37 D C 2.149 178.552 176.300 0.172 0.000 0.980 37 D CA 1.052 55.114 54.000 0.103 0.000 0.842 37 D CB 0.106 40.995 40.800 0.148 0.000 0.948 37 D HN 0.043 nan 8.370 nan 0.000 0.472 38 K N 0.333 120.822 120.400 0.148 0.000 2.074 38 K HA -0.216 4.104 4.320 -0.000 0.000 0.209 38 K C 1.816 178.492 176.600 0.126 0.000 1.048 38 K CA 1.359 57.746 56.287 0.167 0.000 0.926 38 K CB 0.069 32.626 32.500 0.095 0.000 0.713 38 K HN 0.085 nan 8.250 nan 0.000 0.444 39 K N -0.966 119.466 120.400 0.053 0.000 2.209 39 K HA -0.201 4.119 4.320 -0.000 0.000 0.204 39 K C 2.032 178.599 176.600 -0.056 0.000 1.048 39 K CA 1.522 57.811 56.287 0.003 0.000 0.940 39 K CB -0.261 32.228 32.500 -0.018 0.000 0.729 39 K HN 0.319 nan 8.250 nan 0.000 0.451 40 H N -0.739 118.181 119.070 -0.250 0.000 2.423 40 H HA -0.118 4.438 4.556 -0.000 0.000 0.297 40 H C 0.810 175.843 175.328 -0.492 0.000 1.075 40 H CA 1.603 57.343 56.048 -0.514 0.000 1.342 40 H CB 0.125 29.358 29.762 -0.882 0.000 1.395 40 H HN 0.274 nan 8.280 nan 0.000 0.530 41 W N 0.242 121.570 121.300 0.046 0.000 3.220 41 W HA 0.221 4.881 4.660 -0.000 0.000 0.328 41 W C 0.413 176.894 176.519 -0.064 0.000 1.205 41 W CA -0.753 56.508 57.345 -0.140 0.000 1.773 41 W CB 0.294 29.637 29.460 -0.195 0.000 1.086 41 W HN -0.160 nan 8.180 nan 0.000 0.622 42 K N 2.180 122.677 120.400 0.161 0.000 2.473 42 K HA -0.074 4.246 4.320 -0.000 0.000 0.277 42 K C 1.154 177.840 176.600 0.143 0.000 1.052 42 K CA 0.676 57.035 56.287 0.119 0.000 1.114 42 K CB 0.424 32.962 32.500 0.063 0.000 0.869 42 K HN -0.042 nan 8.250 nan 0.000 0.481 43 R N 2.105 122.672 120.500 0.113 0.000 2.121 43 R HA 0.050 4.390 4.340 -0.000 0.000 0.206 43 R C 0.520 176.859 176.300 0.065 0.000 1.094 43 R CA 0.461 56.629 56.100 0.113 0.000 1.055 43 R CB -0.592 29.763 30.300 0.092 0.000 0.964 43 R HN 0.820 nan 8.270 nan 0.000 0.473 44 N N 2.076 120.802 118.700 0.043 0.000 2.405 44 N HA 0.184 4.924 4.740 -0.000 0.000 0.269 44 N C -2.617 172.901 175.510 0.014 0.000 1.249 44 N CA -1.603 51.461 53.050 0.023 0.000 0.974 44 N CB -0.827 37.672 38.487 0.020 0.000 1.204 44 N HN -0.226 nan 8.380 nan 0.000 0.565 45 P HA 0.077 nan 4.420 nan 0.000 0.269 45 P C -0.749 176.539 177.300 -0.020 0.000 1.209 45 P CA 0.117 63.213 63.100 -0.007 0.000 0.776 45 P CB 0.288 31.986 31.700 -0.003 0.000 0.876 46 D N 2.110 122.488 120.400 -0.038 0.000 2.316 46 D HA 0.012 4.652 4.640 -0.000 0.000 0.245 46 D C 1.117 177.353 176.300 -0.107 0.000 1.171 46 D CA -0.312 53.654 54.000 -0.057 0.000 0.856 46 D CB 0.843 41.609 40.800 -0.055 0.000 1.090 46 D HN 0.346 nan 8.370 nan 0.000 0.476 47 K N 2.847 123.187 120.400 -0.100 0.000 2.360 47 K HA -0.096 4.224 4.320 -0.000 0.000 0.201 47 K C 0.357 176.795 176.600 -0.268 0.000 1.046 47 K CA 0.901 57.105 56.287 -0.139 0.000 0.945 47 K CB 0.127 32.577 32.500 -0.083 0.000 0.750 47 K HN 0.154 nan 8.250 nan 0.000 0.464 48 N N 0.556 119.092 118.700 -0.273 0.000 2.268 48 N HA 0.011 4.750 4.740 -0.000 0.000 0.204 48 N C -0.687 174.430 175.510 -0.656 0.000 1.124 48 N CA -0.020 52.771 53.050 -0.430 0.000 0.838 48 N CB 0.429 38.841 38.487 -0.126 0.000 0.994 48 N HN 0.210 nan 8.380 nan 0.000 0.489 49 C N 0.894 119.889 119.300 -0.509 0.000 2.255 49 C HA 0.417 4.877 4.460 -0.000 0.000 0.326 49 C C 1.053 175.813 174.990 -0.383 0.000 1.258 49 C CA -0.618 58.228 59.018 -0.285 0.000 1.676 49 C CB -1.607 26.076 27.740 -0.094 0.000 2.314 49 C HN 0.297 nan 8.230 nan 0.000 0.509 50 F N 2.098 122.086 119.950 0.063 0.000 2.714 50 F HA 0.261 4.788 4.527 -0.000 0.000 0.294 50 F C 1.034 176.669 175.800 -0.274 0.000 1.120 50 F CA -0.183 57.746 58.000 -0.118 0.000 1.398 50 F CB -0.530 38.343 39.000 -0.211 0.000 1.120 50 F HN 0.563 nan 8.300 nan 0.000 0.589 51 H N -0.820 118.342 119.070 0.153 0.000 2.473 51 H HA 0.327 4.883 4.556 -0.000 0.000 0.327 51 H C -0.138 175.201 175.328 0.017 0.000 1.105 51 H CA -1.519 54.571 56.048 0.070 0.000 1.280 51 H CB 0.973 30.772 29.762 0.061 0.000 1.450 51 H HN 0.085 nan 8.280 nan 0.000 0.492 52 C N 3.745 123.090 119.300 0.075 0.000 2.604 52 C HA 0.176 4.636 4.460 -0.000 0.000 0.396 52 C C 0.600 175.600 174.990 0.016 0.000 1.282 52 C CA -0.503 58.527 59.018 0.020 0.000 2.292 52 C CB -0.678 27.047 27.740 -0.024 0.000 2.633 52 C HN 0.999 nan 8.230 nan 0.000 0.620 53 E N 4.121 124.315 120.200 -0.012 0.000 2.392 53 E HA 0.186 4.536 4.350 -0.000 0.000 0.264 53 E C -0.578 175.997 176.600 -0.043 0.000 1.024 53 E CA -0.344 56.041 56.400 -0.025 0.000 0.903 53 E CB 0.389 30.066 29.700 -0.038 0.000 0.963 53 E HN 0.409 nan 8.360 nan 0.000 0.432 54 K N 3.099 123.477 120.400 -0.038 0.000 2.484 54 K HA 0.040 4.360 4.320 -0.000 0.000 0.280 54 K C 0.244 176.800 176.600 -0.073 0.000 1.013 54 K CA 0.310 56.568 56.287 -0.047 0.000 1.029 54 K CB 0.461 32.940 32.500 -0.035 0.000 0.902 54 K HN 0.650 nan 8.250 nan 0.000 0.481 55 L N 1.223 122.386 121.223 -0.099 0.000 3.086 55 L HA 0.144 4.484 4.340 -0.000 0.000 0.274 55 L C 0.614 177.383 176.870 -0.168 0.000 1.184 55 L CA -0.169 54.578 54.840 -0.155 0.000 1.002 55 L CB 0.437 42.369 42.059 -0.212 0.000 1.383 55 L HN 0.630 nan 8.230 nan 0.000 0.582 56 E N 1.749 121.888 120.200 -0.102 0.000 2.558 56 E HA -0.191 4.159 4.350 -0.000 0.000 0.255 56 E C 0.526 177.090 176.600 -0.059 0.000 0.968 56 E CA 0.287 56.645 56.400 -0.070 0.000 0.939 56 E CB 0.160 29.846 29.700 -0.022 0.000 0.921 56 E HN 0.243 nan 8.360 nan 0.000 0.477 57 N N 3.024 121.696 118.700 -0.047 0.000 2.693 57 N HA -0.259 4.480 4.740 -0.000 0.000 0.249 57 N C -1.409 174.113 175.510 0.020 0.000 1.119 57 N CA 0.937 54.048 53.050 0.102 0.000 0.717 57 N CB -0.953 37.635 38.487 0.167 0.000 1.071 57 N HN 0.459 nan 8.380 nan 0.000 0.555 58 N N 0.498 119.035 118.700 -0.273 0.000 2.527 58 N HA 0.224 4.964 4.740 -0.000 0.000 0.236 58 N C -0.640 174.645 175.510 -0.376 0.000 0.999 58 N CA -0.251 52.684 53.050 -0.193 0.000 0.935 58 N CB -0.160 38.226 38.487 -0.167 0.000 1.132 58 N HN 0.178 nan 8.380 nan 0.000 0.511 59 F N 0.603 120.612 119.950 0.100 0.000 2.750 59 F HA 0.287 4.814 4.527 -0.000 0.000 0.297 59 F C 0.426 176.331 175.800 0.175 0.000 1.138 59 F CA -0.710 57.410 58.000 0.201 0.000 1.346 59 F CB 0.209 39.307 39.000 0.164 0.000 0.965 59 F HN 0.180 nan 8.300 nan 0.000 0.514 60 D N 0.795 121.305 120.400 0.183 0.000 2.423 60 D HA -0.066 4.574 4.640 -0.000 0.000 0.238 60 D C 0.038 176.437 176.300 0.165 0.000 1.142 60 D CA 0.167 54.253 54.000 0.144 0.000 0.884 60 D CB 0.578 41.421 40.800 0.071 0.000 1.199 60 D HN 0.064 nan 8.370 nan 0.000 0.438 61 D N 0.816 121.308 120.400 0.152 0.000 2.472 61 D HA -0.052 4.588 4.640 -0.000 0.000 0.248 61 D C 1.006 177.384 176.300 0.131 0.000 1.174 61 D CA 0.143 54.239 54.000 0.160 0.000 0.883 61 D CB 0.185 41.056 40.800 0.118 0.000 1.149 61 D HN 0.427 nan 8.370 nan 0.000 0.488 62 I N -0.062 120.611 120.570 0.171 0.000 4.018 62 I HA 0.229 4.398 4.170 -0.000 0.000 0.337 62 I C 0.248 176.495 176.117 0.216 0.000 1.327 62 I CA -0.692 60.689 61.300 0.135 0.000 1.100 62 I CB 0.043 38.087 38.000 0.073 0.000 1.025 62 I HN -0.021 nan 8.210 nan 0.000 0.396 63 K N 1.824 122.346 120.400 0.203 0.000 2.448 63 K HA 0.095 4.415 4.320 -0.000 0.000 0.278 63 K C 0.249 177.001 176.600 0.253 0.000 1.009 63 K CA 0.073 56.489 56.287 0.215 0.000 0.995 63 K CB 0.515 33.103 32.500 0.146 0.000 0.917 63 K HN 0.379 nan 8.250 nan 0.000 0.481 64 H N 0.474 119.574 119.070 0.049 0.000 2.548 64 H HA -0.049 4.507 4.556 -0.000 0.000 0.268 64 H C 1.418 176.769 175.328 0.038 0.000 0.975 64 H CA 1.049 57.121 56.048 0.040 0.000 1.195 64 H CB 0.490 30.272 29.762 0.033 0.000 1.397 64 H HN 0.684 nan 8.280 nan 0.000 0.572 65 T N -1.678 112.975 114.554 0.165 0.000 3.081 65 T HA 0.004 4.354 4.350 -0.000 0.000 0.250 65 T C 1.047 175.797 174.700 0.083 0.000 1.100 65 T CA -0.141 62.022 62.100 0.105 0.000 1.038 65 T CB -0.169 68.750 68.868 0.086 0.000 0.962 65 T HN -0.046 nan 8.240 nan 0.000 0.516 66 T N 3.098 117.703 114.554 0.085 0.000 2.934 66 T HA 0.401 4.750 4.350 -0.000 0.000 0.306 66 T C -0.240 174.489 174.700 0.049 0.000 1.042 66 T CA 0.172 62.315 62.100 0.072 0.000 1.145 66 T CB 0.143 69.054 68.868 0.072 0.000 0.982 66 T HN 0.288 nan 8.240 nan 0.000 0.544 67 L N 1.980 123.229 121.223 0.043 0.000 2.370 67 L HA 0.705 5.045 4.340 -0.000 0.000 0.266 67 L C 0.851 177.678 176.870 -0.071 0.000 1.002 67 L CA -1.058 53.761 54.840 -0.034 0.000 0.818 67 L CB 2.093 44.103 42.059 -0.082 0.000 1.325 67 L HN 0.744 nan 8.230 nan 0.000 0.418 68 G N -0.288 108.392 108.800 -0.200 0.000 2.531 68 G HA2 0.240 4.200 3.960 -0.000 0.000 0.313 68 G HA3 0.240 4.200 3.960 -0.000 0.000 0.313 68 G C 0.388 174.939 174.900 -0.582 0.000 1.238 68 G CA -0.248 44.677 45.100 -0.292 0.000 0.994 68 G HN 0.788 nan 8.290 nan 0.000 0.493 69 E N -0.618 119.273 120.200 -0.515 0.000 2.051 69 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 69 E C 2.287 178.635 176.600 -0.419 0.000 0.991 69 E CA 1.046 57.044 56.400 -0.671 0.000 0.799 69 E CB -0.067 29.547 29.700 -0.145 0.000 0.748 69 E HN 0.502 nan 8.360 nan 0.000 0.449 70 R N -0.081 120.276 120.500 -0.237 0.000 2.094 70 R HA -0.151 4.189 4.340 -0.000 0.000 0.239 70 R C 2.363 178.579 176.300 -0.140 0.000 1.137 70 R CA 1.900 57.928 56.100 -0.120 0.000 0.943 70 R CB -0.758 29.524 30.300 -0.029 0.000 0.850 70 R HN 0.298 nan 8.270 nan 0.000 0.433 71 G N -0.311 108.389 108.800 -0.168 0.000 2.408 71 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 71 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 71 G C 1.524 176.313 174.900 -0.184 0.000 1.150 71 G CA 0.737 45.756 45.100 -0.135 0.000 0.776 71 G HN 0.513 nan 8.290 nan 0.000 0.542 72 A N 0.588 123.192 122.820 -0.361 0.000 1.898 72 A HA 0.138 4.458 4.320 -0.000 0.000 0.216 72 A C 2.414 179.884 177.584 -0.190 0.000 1.181 72 A CA 1.108 52.919 52.037 -0.377 0.000 0.620 72 A CB -0.383 18.044 19.000 -0.956 0.000 0.819 72 A HN 0.342 nan 8.150 nan 0.000 0.442 73 L N -1.107 120.013 121.223 -0.172 0.000 2.046 73 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 73 L C 2.901 179.760 176.870 -0.018 0.000 1.077 73 L CA 1.374 56.197 54.840 -0.029 0.000 0.747 73 L CB -0.458 41.604 42.059 0.005 0.000 0.896 73 L HN 0.360 nan 8.230 nan 0.000 0.432 74 R N -0.194 120.282 120.500 -0.040 0.000 2.073 74 R HA -0.212 4.128 4.340 -0.000 0.000 0.234 74 R C 2.256 178.546 176.300 -0.016 0.000 1.134 74 R CA 1.637 57.724 56.100 -0.022 0.000 0.952 74 R CB -0.207 30.078 30.300 -0.026 0.000 0.850 74 R HN 0.224 nan 8.270 nan 0.000 0.433 75 E N 0.597 120.782 120.200 -0.026 0.000 2.106 75 E HA -0.097 4.253 4.350 -0.000 0.000 0.192 75 E C 1.730 178.328 176.600 -0.004 0.000 0.984 75 E CA 1.359 57.751 56.400 -0.013 0.000 0.806 75 E CB -0.054 29.638 29.700 -0.013 0.000 0.750 75 E HN 0.333 nan 8.360 nan 0.000 0.458 76 A N 0.128 122.951 122.820 0.004 0.000 1.930 76 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 76 A C 2.191 179.783 177.584 0.013 0.000 1.175 76 A CA 1.565 53.613 52.037 0.018 0.000 0.627 76 A CB -0.465 18.575 19.000 0.068 0.000 0.815 76 A HN 0.331 nan 8.150 nan 0.000 0.443 77 M N -1.561 118.049 119.600 0.017 0.000 2.319 77 M HA -0.059 4.420 4.480 -0.000 0.000 0.265 77 M C 2.286 178.592 176.300 0.009 0.000 1.068 77 M CA 1.332 56.643 55.300 0.018 0.000 1.118 77 M CB -0.162 32.448 32.600 0.017 0.000 1.395 77 M HN 0.433 nan 8.290 nan 0.000 0.435 78 R N 0.054 120.556 120.500 0.003 0.000 2.115 78 R HA -0.045 4.295 4.340 -0.000 0.000 0.226 78 R C 0.763 177.062 176.300 -0.001 0.000 1.100 78 R CA 0.445 56.547 56.100 0.002 0.000 0.980 78 R CB -0.076 30.224 30.300 0.000 0.000 0.875 78 R HN 0.437 nan 8.270 nan 0.000 0.445 79 C N 1.271 120.563 119.300 -0.012 0.000 2.596 79 C HA 0.036 4.496 4.460 -0.000 0.000 0.414 79 C C 1.921 176.900 174.990 -0.019 0.000 1.396 79 C CA -0.453 58.549 59.018 -0.027 0.000 1.698 79 C CB -0.504 27.200 27.740 -0.060 0.000 2.572 79 C HN 0.570 nan 8.230 nan 0.000 0.604 80 L N 3.778 124.992 121.223 -0.016 0.000 2.376 80 L HA 0.019 4.359 4.340 -0.000 0.000 0.219 80 L C 1.576 178.436 176.870 -0.015 0.000 1.133 80 L CA 0.604 55.441 54.840 -0.005 0.000 0.816 80 L CB -0.612 41.447 42.059 0.001 0.000 0.933 80 L HN 0.830 nan 8.230 nan 0.000 0.449 81 K N -0.126 120.250 120.400 -0.040 0.000 3.419 81 K HA -0.168 4.152 4.320 -0.000 0.000 0.272 81 K C -0.114 176.461 176.600 -0.041 0.000 0.973 81 K CA -0.074 56.181 56.287 -0.054 0.000 0.749 81 K CB -2.257 30.219 32.500 -0.039 0.000 1.403 81 K HN 0.314 nan 8.250 nan 0.000 0.456 82 C N 0.680 119.955 119.300 -0.042 0.000 2.689 82 C HA 0.400 4.860 4.460 -0.000 0.000 0.409 82 C C 1.625 176.595 174.990 -0.032 0.000 1.293 82 C CA -0.476 58.524 59.018 -0.030 0.000 2.136 82 C CB 0.041 27.765 27.740 -0.027 0.000 2.719 82 C HN 0.661 nan 8.230 nan 0.000 0.644 83 A N 1.161 123.968 122.820 -0.022 0.000 2.371 83 A HA 0.451 4.771 4.320 -0.000 0.000 0.257 83 A C 0.671 178.245 177.584 -0.016 0.000 1.089 83 A CA 0.091 52.117 52.037 -0.019 0.000 0.794 83 A CB -0.119 18.872 19.000 -0.014 0.000 1.029 83 A HN 1.100 nan 8.150 nan 0.000 0.488 84 D N -0.041 120.351 120.400 -0.012 0.000 2.702 84 D HA -0.134 4.506 4.640 -0.000 0.000 0.233 84 D C 0.504 176.794 176.300 -0.017 0.000 1.164 84 D CA 1.044 55.041 54.000 -0.005 0.000 0.638 84 D CB -1.140 39.664 40.800 0.007 0.000 1.041 84 D HN 1.133 nan 8.370 nan 0.000 0.422 85 A N 0.761 123.558 122.820 -0.038 0.000 2.591 85 A HA 0.159 4.479 4.320 -0.000 0.000 0.244 85 A C -0.452 177.104 177.584 -0.046 0.000 1.031 85 A CA -0.010 51.998 52.037 -0.048 0.000 0.767 85 A CB 0.373 19.329 19.000 -0.073 0.000 0.942 85 A HN 0.337 nan 8.150 nan 0.000 0.514 86 P HA -0.133 nan 4.420 nan 0.000 0.221 86 P C 1.575 178.856 177.300 -0.031 0.000 1.150 86 P CA 1.615 64.701 63.100 -0.022 0.000 0.800 86 P CB -0.427 31.264 31.700 -0.014 0.000 0.787 87 C N -0.587 118.687 119.300 -0.042 0.000 2.446 87 C HA -0.098 4.362 4.460 -0.000 0.000 0.277 87 C C 2.991 177.948 174.990 -0.055 0.000 1.275 87 C CA 0.888 59.881 59.018 -0.042 0.000 1.727 87 C CB -2.205 25.507 27.740 -0.048 0.000 2.010 87 C HN 0.214 nan 8.230 nan 0.000 0.486 88 Q N 1.443 121.184 119.800 -0.098 0.000 2.079 88 Q HA -0.164 4.176 4.340 -0.000 0.000 0.200 88 Q C 2.281 178.185 176.000 -0.161 0.000 0.974 88 Q CA 1.504 57.197 55.803 -0.183 0.000 0.840 88 Q CB -0.184 28.374 28.738 -0.301 0.000 0.898 88 Q HN 0.708 nan 8.270 nan 0.000 0.430 89 K N -0.155 120.203 120.400 -0.071 0.000 2.209 89 K HA -0.045 4.275 4.320 -0.000 0.000 0.204 89 K C 1.798 178.428 176.600 0.051 0.000 1.048 89 K CA 1.301 57.618 56.287 0.050 0.000 0.940 89 K CB 0.114 32.643 32.500 0.048 0.000 0.729 89 K HN 0.077 nan 8.250 nan 0.000 0.451 90 S N 0.275 115.981 115.700 0.010 0.000 2.593 90 S HA -0.001 4.469 4.470 -0.000 0.000 0.217 90 S C 0.480 175.088 174.600 0.013 0.000 0.966 90 S CA -0.238 57.967 58.200 0.008 0.000 0.914 90 S CB -0.063 63.131 63.200 -0.010 0.000 0.776 90 S HN 0.349 nan 8.310 nan 0.000 0.523 91 C N 3.513 122.824 119.300 0.018 0.000 2.285 91 C HA 0.455 4.915 4.460 -0.000 0.000 0.335 91 C C -1.571 173.450 174.990 0.052 0.000 1.267 91 C CA -2.181 56.851 59.018 0.023 0.000 1.762 91 C CB 0.508 28.254 27.740 0.010 0.000 2.365 91 C HN 0.241 nan 8.230 nan 0.000 0.527 92 P HA -0.090 nan 4.420 nan 0.000 0.219 92 P C 1.233 178.564 177.300 0.051 0.000 1.146 92 P CA 1.838 64.964 63.100 0.042 0.000 0.808 92 P CB 0.050 31.766 31.700 0.026 0.000 0.779 93 T N -6.555 108.029 114.554 0.050 0.000 3.145 93 T HA 0.163 4.513 4.350 -0.000 0.000 0.255 93 T C 0.375 175.147 174.700 0.120 0.000 1.039 93 T CA -0.315 61.819 62.100 0.056 0.000 0.928 93 T CB -1.077 67.808 68.868 0.029 0.000 1.029 93 T HN 0.067 nan 8.240 nan 0.000 0.554 94 H N -0.249 118.818 119.070 -0.005 0.000 2.713 94 H HA -0.115 4.441 4.556 -0.000 0.000 0.311 94 H C -0.398 174.939 175.328 0.014 0.000 1.175 94 H CA -0.146 55.902 56.048 0.001 0.000 1.143 94 H CB -2.254 27.501 29.762 -0.011 0.000 1.434 94 H HN 0.373 nan 8.280 nan 0.000 0.418 95 L N 1.048 122.270 121.223 -0.002 0.000 2.490 95 L HA 0.051 4.391 4.340 -0.000 0.000 0.274 95 L C 0.890 177.750 176.870 -0.017 0.000 1.201 95 L CA 0.797 55.647 54.840 0.018 0.000 0.869 95 L CB 0.369 42.468 42.059 0.067 0.000 1.123 95 L HN 0.379 nan 8.230 nan 0.000 0.484 96 D N 3.926 124.344 120.400 0.030 0.000 2.551 96 D HA 0.060 4.700 4.640 -0.000 0.000 0.223 96 D C 1.314 177.640 176.300 0.045 0.000 1.144 96 D CA 0.196 54.192 54.000 -0.005 0.000 1.025 96 D CB 0.093 40.900 40.800 0.011 0.000 1.085 96 D HN 0.440 nan 8.370 nan 0.000 0.506 97 I N 1.981 122.526 120.570 -0.042 0.000 2.208 97 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 97 I C 2.485 178.326 176.117 -0.461 0.000 1.097 97 I CA 0.877 61.987 61.300 -0.318 0.000 1.363 97 I CB -0.135 37.725 38.000 -0.234 0.000 1.051 97 I HN 0.316 nan 8.210 nan 0.000 0.413 98 K N 1.060 121.318 120.400 -0.237 0.000 2.020 98 K HA -0.222 4.098 4.320 -0.000 0.000 0.212 98 K C 2.237 178.741 176.600 -0.161 0.000 1.050 98 K CA 2.248 58.425 56.287 -0.184 0.000 0.929 98 K CB -0.082 32.354 32.500 -0.107 0.000 0.714 98 K HN 0.184 nan 8.250 nan 0.000 0.443 99 S N 0.636 116.278 115.700 -0.098 0.000 2.355 99 S HA -0.121 4.349 4.470 -0.000 0.000 0.222 99 S C 1.650 176.261 174.600 0.018 0.000 1.031 99 S CA 1.402 59.581 58.200 -0.036 0.000 0.993 99 S CB -0.480 62.718 63.200 -0.003 0.000 0.859 99 S HN 0.562 nan 8.310 nan 0.000 0.453 100 F N 1.864 121.798 119.950 -0.026 0.000 2.234 100 F HA 0.132 4.659 4.527 -0.000 0.000 0.299 100 F C 1.699 177.518 175.800 0.032 0.000 1.087 100 F CA 0.661 58.656 58.000 -0.008 0.000 1.340 100 F CB -0.748 38.236 39.000 -0.025 0.000 1.031 100 F HN 0.104 nan 8.300 nan 0.000 0.500 101 I N 0.482 120.783 120.570 -0.449 0.000 2.353 101 I HA -0.204 3.966 4.170 -0.000 0.000 0.248 101 I C 2.236 178.331 176.117 -0.037 0.000 1.119 101 I CA 1.428 62.574 61.300 -0.258 0.000 1.417 101 I CB -0.893 36.847 38.000 -0.433 0.000 1.078 101 I HN 0.213 nan 8.210 nan 0.000 0.421 102 T N 0.253 114.776 114.554 -0.051 0.000 2.746 102 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 102 T C 2.149 176.886 174.700 0.063 0.000 1.039 102 T CA 1.818 63.920 62.100 0.004 0.000 1.142 102 T CB -0.153 68.705 68.868 -0.017 0.000 0.866 102 T HN 0.270 nan 8.240 nan 0.000 0.444 103 S N 1.007 116.759 115.700 0.086 0.000 2.370 103 S HA -0.015 4.455 4.470 -0.000 0.000 0.226 103 S C 2.038 176.743 174.600 0.176 0.000 1.033 103 S CA 0.924 59.195 58.200 0.119 0.000 1.011 103 S CB -0.425 62.851 63.200 0.127 0.000 0.852 103 S HN 0.427 nan 8.310 nan 0.000 0.457 104 I N 1.922 122.651 120.570 0.266 0.000 2.226 104 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 104 I C 2.661 178.949 176.117 0.286 0.000 1.100 104 I CA 1.395 62.937 61.300 0.403 0.000 1.374 104 I CB -0.550 37.703 38.000 0.422 0.000 1.057 104 I HN 0.378 nan 8.210 nan 0.000 0.413 105 S N 0.848 116.650 115.700 0.169 0.000 2.419 105 S HA -0.130 4.340 4.470 -0.000 0.000 0.233 105 S C 1.498 176.163 174.600 0.108 0.000 1.016 105 S CA 1.148 59.420 58.200 0.120 0.000 0.974 105 S CB -0.418 62.828 63.200 0.077 0.000 0.786 105 S HN 0.415 nan 8.310 nan 0.000 0.492 106 N N 1.425 120.187 118.700 0.103 0.000 2.314 106 N HA 0.225 4.965 4.740 -0.000 0.000 0.200 106 N C -0.159 175.358 175.510 0.011 0.000 1.135 106 N CA 0.125 53.224 53.050 0.082 0.000 0.835 106 N CB -0.057 38.503 38.487 0.123 0.000 0.989 106 N HN 0.514 nan 8.380 nan 0.000 0.478 107 K N -0.595 119.781 120.400 -0.039 0.000 3.341 107 K HA -0.199 4.121 4.320 -0.000 0.000 0.305 107 K C -0.265 175.962 176.600 -0.621 0.000 1.270 107 K CA 0.461 56.533 56.287 -0.359 0.000 0.897 107 K CB -1.512 30.885 32.500 -0.172 0.000 1.264 107 K HN 0.147 nan 8.250 nan 0.000 0.468 108 N N 0.845 119.387 118.700 -0.263 0.000 3.083 108 N HA 0.110 4.850 4.740 -0.000 0.000 0.260 108 N C 0.403 175.927 175.510 0.024 0.000 1.163 108 N CA -0.237 52.753 53.050 -0.101 0.000 1.060 108 N CB 0.162 38.676 38.487 0.044 0.000 1.345 108 N HN 0.073 nan 8.380 nan 0.000 0.515 109 Y N 0.837 121.269 120.300 0.220 0.000 2.293 109 Y HA -0.120 4.430 4.550 -0.000 0.000 0.291 109 Y C 1.776 177.772 175.900 0.160 0.000 1.137 109 Y CA 0.680 58.891 58.100 0.185 0.000 1.202 109 Y CB -1.003 37.551 38.460 0.158 0.000 0.990 109 Y HN 0.549 nan 8.280 nan 0.000 0.537 110 Y N 0.600 121.041 120.300 0.236 0.000 2.114 110 Y HA -0.102 4.448 4.550 -0.000 0.000 0.284 110 Y C 2.562 178.492 175.900 0.051 0.000 1.143 110 Y CA 1.547 59.745 58.100 0.163 0.000 1.135 110 Y CB -0.813 37.745 38.460 0.162 0.000 0.980 110 Y HN 0.052 nan 8.280 nan 0.000 0.499 111 G N -0.025 108.738 108.800 -0.061 0.000 2.442 111 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 111 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 111 G C 1.802 176.619 174.900 -0.139 0.000 1.141 111 G CA 1.161 46.171 45.100 -0.150 0.000 0.763 111 G HN 0.656 nan 8.290 nan 0.000 0.554 112 A N 1.221 124.040 122.820 -0.002 0.000 1.877 112 A HA 0.280 4.600 4.320 -0.000 0.000 0.216 112 A C 2.854 180.369 177.584 -0.114 0.000 1.186 112 A CA 2.327 54.408 52.037 0.074 0.000 0.620 112 A CB -0.912 18.234 19.000 0.245 0.000 0.822 112 A HN 0.817 nan 8.150 nan 0.000 0.443 113 A N -0.190 122.520 122.820 -0.184 0.000 1.902 113 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 113 A C 2.149 179.475 177.584 -0.430 0.000 1.181 113 A CA 2.092 53.958 52.037 -0.284 0.000 0.623 113 A CB -0.499 18.276 19.000 -0.375 0.000 0.818 113 A HN 0.577 nan 8.150 nan 0.000 0.443 114 K N -1.313 118.727 120.400 -0.600 0.000 2.063 114 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 114 K C 2.033 178.476 176.600 -0.261 0.000 1.048 114 K CA 1.942 57.945 56.287 -0.474 0.000 0.928 114 K CB -0.246 31.897 32.500 -0.594 0.000 0.713 114 K HN 0.365 nan 8.250 nan 0.000 0.442 115 M N 1.231 120.706 119.600 -0.208 0.000 2.086 115 M HA -0.081 4.399 4.480 -0.000 0.000 0.261 115 M C 1.690 177.910 176.300 -0.133 0.000 1.067 115 M CA 1.474 56.711 55.300 -0.106 0.000 1.116 115 M CB -0.160 32.438 32.600 -0.003 0.000 1.348 115 M HN 0.221 nan 8.290 nan 0.000 0.407 116 I N -0.936 119.492 120.570 -0.237 0.000 2.142 116 I HA -0.301 3.868 4.170 -0.000 0.000 0.240 116 I C 1.843 177.715 176.117 -0.409 0.000 1.078 116 I CA 1.431 62.506 61.300 -0.375 0.000 1.343 116 I CB -0.518 37.151 38.000 -0.552 0.000 1.046 116 I HN 0.162 nan 8.210 nan 0.000 0.405 117 F N 0.615 120.249 119.950 -0.526 0.000 2.365 117 F HA -0.147 4.380 4.527 -0.000 0.000 0.300 117 F C 2.704 178.250 175.800 -0.423 0.000 1.090 117 F CA 0.951 58.554 58.000 -0.662 0.000 1.408 117 F CB -0.609 37.538 39.000 -1.422 0.000 1.060 117 F HN -0.042 nan 8.300 nan 0.000 0.534 118 S N -0.583 115.049 115.700 -0.114 0.000 2.368 118 S HA -0.185 4.285 4.470 -0.000 0.000 0.225 118 S C 1.576 176.235 174.600 0.099 0.000 1.030 118 S CA 1.576 59.791 58.200 0.025 0.000 0.999 118 S CB -0.195 63.000 63.200 -0.008 0.000 0.844 118 S HN 0.381 nan 8.310 nan 0.000 0.459 119 D N 0.141 120.570 120.400 0.048 0.000 2.389 119 D HA 0.129 4.769 4.640 -0.000 0.000 0.206 119 D C 0.114 176.491 176.300 0.128 0.000 1.055 119 D CA 0.266 54.349 54.000 0.138 0.000 0.856 119 D CB 0.195 41.039 40.800 0.074 0.000 0.957 119 D HN 0.156 nan 8.370 nan 0.000 0.509 120 N N 0.412 119.078 118.700 -0.055 0.000 2.621 120 N HA 0.152 4.892 4.740 -0.000 0.000 0.271 120 N C -2.396 172.902 175.510 -0.352 0.000 1.181 120 N CA -1.513 51.451 53.050 -0.144 0.000 0.805 120 N CB 2.070 40.420 38.487 -0.229 0.000 1.351 120 N HN -0.304 nan 8.380 nan 0.000 0.539 121 P HA -0.021 nan 4.420 nan 0.000 0.223 121 P C 0.298 177.489 177.300 -0.181 0.000 1.144 121 P CA 0.903 63.906 63.100 -0.161 0.000 0.783 121 P CB 0.366 31.987 31.700 -0.132 0.000 0.771 122 L N -1.524 119.545 121.223 -0.257 0.000 3.108 122 L HA 0.365 4.705 4.340 -0.000 0.000 0.251 122 L C 1.866 178.517 176.870 -0.365 0.000 1.315 122 L CA 0.072 54.790 54.840 -0.204 0.000 1.048 122 L CB -0.678 41.326 42.059 -0.091 0.000 1.432 122 L HN -0.105 nan 8.230 nan 0.000 0.543 123 G N -0.110 108.168 108.800 -0.870 0.000 2.442 123 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.219 123 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.219 123 G C 1.453 176.102 174.900 -0.419 0.000 1.141 123 G CA 0.783 45.362 45.100 -0.869 0.000 0.763 123 G HN 0.365 nan 8.290 nan 0.000 0.554 124 L N 0.776 121.905 121.223 -0.157 0.000 2.072 124 L HA 0.083 4.423 4.340 -0.000 0.000 0.205 124 L C 2.888 179.763 176.870 0.008 0.000 1.079 124 L CA 2.405 57.279 54.840 0.057 0.000 0.752 124 L CB -1.095 41.144 42.059 0.301 0.000 0.906 124 L HN 0.164 nan 8.230 nan 0.000 0.436 125 T N -1.046 113.511 114.554 0.005 0.000 2.684 125 T HA -0.232 4.118 4.350 -0.000 0.000 0.267 125 T C 2.000 176.683 174.700 -0.028 0.000 1.036 125 T CA 1.865 63.963 62.100 -0.005 0.000 1.148 125 T CB -0.685 68.179 68.868 -0.007 0.000 0.863 125 T HN 0.479 nan 8.240 nan 0.000 0.436 126 C N 1.245 120.505 119.300 -0.068 0.000 2.429 126 C HA 0.054 4.514 4.460 -0.000 0.000 0.277 126 C C 3.084 178.045 174.990 -0.048 0.000 1.262 126 C CA 0.353 59.333 59.018 -0.063 0.000 1.733 126 C CB -1.570 26.114 27.740 -0.095 0.000 2.010 126 C HN 0.739 nan 8.230 nan 0.000 0.483 127 G N 0.077 108.837 108.800 -0.066 0.000 2.442 127 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.219 127 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.219 127 G C 1.602 176.505 174.900 0.005 0.000 1.141 127 G CA 0.831 45.912 45.100 -0.032 0.000 0.763 127 G HN 0.522 nan 8.290 nan 0.000 0.554 128 M N 0.040 119.644 119.600 0.006 0.000 2.287 128 M HA 0.060 4.540 4.480 -0.000 0.000 0.266 128 M C 2.419 178.733 176.300 0.024 0.000 1.079 128 M CA 1.065 56.380 55.300 0.024 0.000 1.146 128 M CB 0.272 32.888 32.600 0.026 0.000 1.374 128 M HN 0.247 nan 8.290 nan 0.000 0.435 129 V N -4.307 115.613 119.914 0.010 0.000 3.605 129 V HA 0.203 4.323 4.120 -0.000 0.000 0.284 129 V C 0.764 176.860 176.094 0.003 0.000 1.386 129 V CA -0.663 61.642 62.300 0.009 0.000 1.053 129 V CB -0.791 31.035 31.823 0.005 0.000 0.857 129 V HN 0.265 nan 8.190 nan 0.000 0.436 130 C N 4.520 123.819 119.300 -0.001 0.000 2.596 130 C HA 0.254 4.714 4.460 -0.000 0.000 0.414 130 C C -1.272 173.716 174.990 -0.003 0.000 1.396 130 C CA -0.058 58.958 59.018 -0.004 0.000 1.698 130 C CB 0.080 27.817 27.740 -0.004 0.000 2.572 130 C HN 0.539 nan 8.230 nan 0.000 0.604 131 P HA 0.088 nan 4.420 nan 0.000 0.231 131 P C 0.996 178.286 177.300 -0.017 0.000 1.811 131 P CA 0.286 63.374 63.100 -0.019 0.000 1.051 131 P CB -0.052 31.632 31.700 -0.027 0.000 1.951 132 T N -1.072 113.477 114.554 -0.007 0.000 2.778 132 T HA -0.230 4.120 4.350 -0.000 0.000 0.269 132 T C 1.836 176.529 174.700 -0.013 0.000 1.050 132 T CA 1.946 64.045 62.100 -0.002 0.000 1.137 132 T CB -1.139 67.738 68.868 0.014 0.000 0.860 132 T HN 0.320 nan 8.240 nan 0.000 0.468 133 S N 1.187 116.875 115.700 -0.020 0.000 2.442 133 S HA -0.127 4.343 4.470 -0.000 0.000 0.236 133 S C 1.587 176.158 174.600 -0.048 0.000 1.007 133 S CA 1.341 59.521 58.200 -0.033 0.000 0.965 133 S CB -0.531 62.649 63.200 -0.033 0.000 0.773 133 S HN 0.607 nan 8.310 nan 0.000 0.504 134 D N -0.327 120.049 120.400 -0.040 0.000 2.395 134 D HA 0.394 5.034 4.640 -0.000 0.000 0.213 134 D C 0.650 176.932 176.300 -0.031 0.000 1.110 134 D CA 0.002 53.977 54.000 -0.041 0.000 0.835 134 D CB 0.195 40.972 40.800 -0.038 0.000 0.965 134 D HN 0.428 nan 8.370 nan 0.000 0.505 135 L N -1.198 120.010 121.223 -0.025 0.000 2.910 135 L HA 0.218 4.558 4.340 -0.000 0.000 0.222 135 L C 2.323 179.184 176.870 -0.015 0.000 1.846 135 L CA -0.290 54.541 54.840 -0.015 0.000 2.581 135 L CB -0.649 41.407 42.059 -0.006 0.000 2.436 135 L HN 0.057 nan 8.230 nan 0.000 0.659 136 C N -0.216 119.082 119.300 -0.005 0.000 2.393 136 C HA -0.123 4.337 4.460 -0.000 0.000 0.276 136 C C 2.408 177.392 174.990 -0.010 0.000 1.215 136 C CA 0.555 59.571 59.018 -0.004 0.000 1.743 136 C CB -1.344 26.404 27.740 0.013 0.000 2.044 136 C HN 0.485 nan 8.230 nan 0.000 0.464 137 V N 2.246 122.158 119.914 -0.003 0.000 2.490 137 V HA -0.029 4.091 4.120 -0.000 0.000 0.250 137 V C 2.990 179.068 176.094 -0.027 0.000 1.061 137 V CA 2.247 64.547 62.300 0.000 0.000 1.064 137 V CB -1.633 30.200 31.823 0.015 0.000 0.670 137 V HN 0.781 nan 8.190 nan 0.000 0.461 138 G N -0.113 108.655 108.800 -0.053 0.000 2.498 138 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.219 138 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.219 138 G C 1.289 176.117 174.900 -0.120 0.000 1.119 138 G CA 0.839 45.874 45.100 -0.108 0.000 0.766 138 G HN 0.631 nan 8.290 nan 0.000 0.552 139 G N -1.167 107.592 108.800 -0.067 0.000 3.324 139 G HA2 0.188 4.148 3.960 -0.000 0.000 0.251 139 G HA3 0.188 4.148 3.960 -0.000 0.000 0.251 139 G C 0.388 175.272 174.900 -0.026 0.000 1.072 139 G CA 0.006 45.075 45.100 -0.053 0.000 0.787 139 G HN 0.375 nan 8.290 nan 0.000 0.537 140 C N 1.635 120.929 119.300 -0.010 0.000 2.648 140 C HA 0.166 4.626 4.460 -0.000 0.000 0.415 140 C C 1.867 176.891 174.990 0.056 0.000 1.366 140 C CA -0.513 58.518 59.018 0.020 0.000 1.756 140 C CB -0.486 27.276 27.740 0.036 0.000 2.549 140 C HN 0.469 nan 8.230 nan 0.000 0.597 141 N N 3.301 122.023 118.700 0.037 0.000 2.205 141 N HA -0.109 4.631 4.740 -0.000 0.000 0.186 141 N C 1.436 176.986 175.510 0.066 0.000 1.015 141 N CA 1.316 54.395 53.050 0.047 0.000 0.862 141 N CB -0.146 38.355 38.487 0.022 0.000 0.986 141 N HN 0.774 nan 8.380 nan 0.000 0.429 142 L N 0.041 121.300 121.223 0.058 0.000 2.622 142 L HA -0.108 4.232 4.340 -0.000 0.000 0.233 142 L C 1.847 178.756 176.870 0.064 0.000 1.156 142 L CA 0.241 55.109 54.840 0.046 0.000 0.866 142 L CB -0.385 41.690 42.059 0.027 0.000 0.980 142 L HN 0.150 nan 8.230 nan 0.000 0.448 143 Y N 0.798 121.093 120.300 -0.009 0.000 2.421 143 Y HA -0.165 4.385 4.550 -0.000 0.000 0.292 143 Y C 2.210 178.105 175.900 -0.008 0.000 1.136 143 Y CA 0.937 59.032 58.100 -0.008 0.000 1.255 143 Y CB 0.045 38.500 38.460 -0.008 0.000 0.991 143 Y HN 0.135 nan 8.280 nan 0.000 0.552 144 A N -0.003 122.852 122.820 0.059 0.000 2.261 144 A HA 0.165 4.485 4.320 -0.000 0.000 0.208 144 A C 0.803 178.351 177.584 -0.060 0.000 1.223 144 A CA 0.683 52.718 52.037 -0.002 0.000 0.833 144 A CB -1.150 17.876 19.000 0.044 0.000 0.830 144 A HN 0.391 nan 8.150 nan 0.000 0.483 145 T N -4.820 109.681 114.554 -0.089 0.000 2.924 145 T HA 0.529 4.879 4.350 -0.000 0.000 0.291 145 T C 0.396 175.026 174.700 -0.117 0.000 1.045 145 T CA -0.440 61.613 62.100 -0.078 0.000 1.015 145 T CB 1.450 70.293 68.868 -0.042 0.000 1.103 145 T HN 0.101 nan 8.240 nan 0.000 0.496 146 E N 0.720 120.865 120.200 -0.091 0.000 2.085 146 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 146 E C 2.130 178.680 176.600 -0.084 0.000 0.994 146 E CA 1.566 57.910 56.400 -0.093 0.000 0.801 146 E CB -0.068 29.594 29.700 -0.064 0.000 0.743 146 E HN 0.848 nan 8.360 nan 0.000 0.453 147 E N 0.623 120.788 120.200 -0.058 0.000 2.268 147 E HA -0.052 4.298 4.350 -0.000 0.000 0.195 147 E C 1.106 177.680 176.600 -0.043 0.000 0.995 147 E CA 0.932 57.309 56.400 -0.040 0.000 0.836 147 E CB -0.379 29.308 29.700 -0.021 0.000 0.763 147 E HN 0.138 nan 8.360 nan 0.000 0.491 148 G N 0.611 109.370 108.800 -0.069 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 -0.352 174.554 174.900 0.010 0.000 1.344 148 G CA -0.200 44.864 45.100 -0.060 0.000 0.855 148 G HN 0.269 nan 8.290 nan 0.000 0.537 149 S N -0.196 115.550 115.700 0.077 0.000 2.576 149 S HA 0.401 4.871 4.470 -0.000 0.000 0.272 149 S C 1.183 175.815 174.600 0.052 0.000 1.352 149 S CA -0.352 57.905 58.200 0.094 0.000 1.021 149 S CB 0.447 63.736 63.200 0.149 0.000 0.887 149 S HN 0.601 nan 8.310 nan 0.000 0.542 150 I N 2.621 123.212 120.570 0.036 0.000 2.575 150 I HA 0.070 4.240 4.170 -0.000 0.000 0.285 150 I C 0.825 176.962 176.117 0.032 0.000 1.085 150 I CA -0.235 61.078 61.300 0.021 0.000 1.403 150 I CB 0.123 38.121 38.000 -0.004 0.000 1.409 150 I HN 0.559 nan 8.210 nan 0.000 0.557 151 N N 6.164 124.886 118.700 0.036 0.000 2.895 151 N HA 0.139 4.879 4.740 -0.000 0.000 0.277 151 N C 0.972 176.524 175.510 0.071 0.000 1.185 151 N CA 0.065 53.146 53.050 0.051 0.000 1.106 151 N CB -0.079 38.437 38.487 0.049 0.000 1.422 151 N HN 0.487 nan 8.380 nan 0.000 0.521 152 I N 0.349 120.962 120.570 0.073 0.000 2.179 152 I HA -0.166 4.004 4.170 -0.000 0.000 0.242 152 I C 2.286 178.511 176.117 0.180 0.000 1.088 152 I CA 1.204 62.578 61.300 0.123 0.000 1.357 152 I CB -0.372 37.684 38.000 0.093 0.000 1.051 152 I HN 0.501 nan 8.210 nan 0.000 0.409 153 G N 0.663 109.530 108.800 0.112 0.000 2.446 153 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 153 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 153 G C 1.727 176.683 174.900 0.093 0.000 1.168 153 G CA 0.903 46.056 45.100 0.087 0.000 0.771 153 G HN 0.504 nan 8.290 nan 0.000 0.551 154 G N 0.649 109.508 108.800 0.098 0.000 2.422 154 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.218 154 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.218 154 G C 1.811 176.798 174.900 0.144 0.000 1.146 154 G CA 0.701 45.862 45.100 0.101 0.000 0.769 154 G HN 0.428 nan 8.290 nan 0.000 0.547 155 L N -0.275 121.058 121.223 0.184 0.000 2.056 155 L HA -0.075 4.265 4.340 -0.000 0.000 0.207 155 L C 2.955 180.003 176.870 0.297 0.000 1.078 155 L CA 1.443 56.450 54.840 0.279 0.000 0.749 155 L CB -0.433 41.820 42.059 0.323 0.000 0.901 155 L HN 0.308 nan 8.230 nan 0.000 0.433 156 Q N -0.001 119.919 119.800 0.201 0.000 2.084 156 Q HA -0.296 4.044 4.340 -0.000 0.000 0.202 156 Q C 2.260 178.213 176.000 -0.078 0.000 0.978 156 Q CA 1.866 57.576 55.803 -0.154 0.000 0.844 156 Q CB -0.054 28.568 28.738 -0.193 0.000 0.898 156 Q HN 0.460 nan 8.270 nan 0.000 0.426 157 Q N -0.610 119.201 119.800 0.019 0.000 2.050 157 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 157 Q C 1.911 177.930 176.000 0.031 0.000 0.980 157 Q CA 1.646 57.464 55.803 0.026 0.000 0.840 157 Q CB -0.273 28.499 28.738 0.056 0.000 0.898 157 Q HN 0.477 nan 8.270 nan 0.000 0.424 158 F N 0.828 120.751 119.950 -0.044 0.000 2.069 158 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 158 F C 2.104 177.839 175.800 -0.108 0.000 1.113 158 F CA 1.807 59.751 58.000 -0.093 0.000 1.214 158 F CB -0.753 38.179 39.000 -0.114 0.000 0.978 158 F HN 0.159 nan 8.300 nan 0.000 0.474 159 A N -0.525 122.213 122.820 -0.138 0.000 1.908 159 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 159 A C 2.350 179.866 177.584 -0.113 0.000 1.181 159 A CA 2.173 54.118 52.037 -0.154 0.000 0.627 159 A CB -1.320 17.720 19.000 0.067 0.000 0.818 159 A HN 0.469 nan 8.150 nan 0.000 0.445 160 S N -0.386 115.287 115.700 -0.045 0.000 2.383 160 S HA -0.117 4.353 4.470 -0.000 0.000 0.227 160 S C 1.874 176.469 174.600 -0.008 0.000 1.026 160 S CA 1.173 59.448 58.200 0.125 0.000 0.981 160 S CB -0.250 63.077 63.200 0.211 0.000 0.818 160 S HN 0.587 nan 8.310 nan 0.000 0.472 161 E N 0.845 120.946 120.200 -0.164 0.000 2.106 161 E HA -0.068 4.282 4.350 -0.000 0.000 0.192 161 E C 2.246 178.681 176.600 -0.276 0.000 0.984 161 E CA 0.786 57.036 56.400 -0.250 0.000 0.806 161 E CB -0.321 29.238 29.700 -0.235 0.000 0.750 161 E HN 0.333 nan 8.360 nan 0.000 0.458 162 V N 1.213 120.915 119.914 -0.354 0.000 2.358 162 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 162 V C 2.153 178.304 176.094 0.095 0.000 1.047 162 V CA 1.597 63.773 62.300 -0.206 0.000 1.035 162 V CB -0.602 31.010 31.823 -0.352 0.000 0.658 162 V HN 0.162 nan 8.190 nan 0.000 0.452 163 F N 1.532 121.456 119.950 -0.044 0.000 2.134 163 F HA -0.196 4.331 4.527 -0.000 0.000 0.299 163 F C 2.434 178.186 175.800 -0.080 0.000 1.097 163 F CA 2.244 60.263 58.000 0.032 0.000 1.264 163 F CB -0.355 38.652 39.000 0.011 0.000 1.001 163 F HN 0.050 nan 8.300 nan 0.000 0.479 164 K N 0.378 120.516 120.400 -0.437 0.000 2.063 164 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 164 K C 2.177 178.491 176.600 -0.478 0.000 1.048 164 K CA 1.362 57.120 56.287 -0.882 0.000 0.928 164 K CB -0.483 31.302 32.500 -1.191 0.000 0.713 164 K HN 0.296 nan 8.250 nan 0.000 0.442 165 A N 0.919 123.616 122.820 -0.206 0.000 2.015 165 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 165 A C 2.001 179.634 177.584 0.083 0.000 1.163 165 A CA 1.374 53.435 52.037 0.039 0.000 0.646 165 A CB -0.428 18.726 19.000 0.256 0.000 0.806 165 A HN 0.382 nan 8.150 nan 0.000 0.448 166 M N -1.788 117.802 119.600 -0.017 0.000 2.374 166 M HA -0.047 4.433 4.480 -0.000 0.000 0.264 166 M C 0.667 176.822 176.300 -0.240 0.000 1.067 166 M CA 0.834 56.053 55.300 -0.135 0.000 1.103 166 M CB -0.260 32.312 32.600 -0.047 0.000 1.402 166 M HN 0.435 nan 8.290 nan 0.000 0.444 167 N N 1.226 119.665 118.700 -0.435 0.000 2.758 167 N HA -0.144 4.596 4.740 -0.000 0.000 0.248 167 N C -1.253 174.033 175.510 -0.374 0.000 1.076 167 N CA 0.470 53.172 53.050 -0.579 0.000 0.696 167 N CB -1.170 36.517 38.487 -1.334 0.000 0.979 167 N HN 0.352 nan 8.380 nan 0.000 0.550 168 I N 1.078 121.443 120.570 -0.341 0.000 2.321 168 I HA 0.349 4.519 4.170 -0.000 0.000 0.291 168 I C -1.645 174.419 176.117 -0.090 0.000 0.998 168 I CA -1.778 59.433 61.300 -0.148 0.000 1.227 168 I CB 1.363 39.330 38.000 -0.054 0.000 1.368 168 I HN 0.005 nan 8.210 nan 0.000 0.466 169 P HA 0.079 nan 4.420 nan 0.000 0.276 169 P C -1.173 176.128 177.300 0.001 0.000 1.244 169 P CA -0.522 62.570 63.100 -0.013 0.000 0.801 169 P CB 1.013 32.697 31.700 -0.026 0.000 1.006 170 Q N 1.303 121.078 119.800 -0.042 0.000 2.259 170 Q HA 0.490 4.830 4.340 -0.000 0.000 0.246 170 Q C -0.241 175.656 176.000 -0.171 0.000 0.920 170 Q CA -0.644 55.028 55.803 -0.219 0.000 0.895 170 Q CB 0.469 29.073 28.738 -0.222 0.000 1.220 170 Q HN 0.493 nan 8.270 nan 0.000 0.439 171 I N -1.008 119.440 120.570 -0.204 0.000 3.002 171 I HA 0.594 4.764 4.170 -0.000 0.000 0.310 171 I C -0.543 175.496 176.117 -0.131 0.000 1.087 171 I CA -1.450 59.773 61.300 -0.129 0.000 1.017 171 I CB 1.846 39.788 38.000 -0.097 0.000 1.226 171 I HN 0.581 nan 8.210 nan 0.000 0.443 172 R N 2.382 122.812 120.500 -0.116 0.000 2.679 172 R HA 0.049 4.389 4.340 -0.000 0.000 0.268 172 R C 0.131 176.314 176.300 -0.195 0.000 1.044 172 R CA -0.193 55.831 56.100 -0.127 0.000 1.105 172 R CB 0.324 30.554 30.300 -0.117 0.000 0.989 172 R HN 0.808 nan 8.270 nan 0.000 0.447 173 N N 3.972 122.531 118.700 -0.235 0.000 2.359 173 N HA -0.040 4.700 4.740 -0.000 0.000 0.261 173 N C -1.923 173.313 175.510 -0.457 0.000 1.267 173 N CA -1.149 51.607 53.050 -0.490 0.000 0.864 173 N CB 0.961 39.239 38.487 -0.347 0.000 1.063 173 N HN 0.380 nan 8.380 nan 0.000 0.474 174 P HA -0.125 nan 4.420 nan 0.000 0.216 174 P C 0.551 177.708 177.300 -0.238 0.000 1.154 174 P CA 1.300 64.194 63.100 -0.345 0.000 0.865 174 P CB 0.169 31.666 31.700 -0.338 0.000 0.789 175 C N -1.978 117.172 119.300 -0.249 0.000 2.697 175 C HA 0.217 4.676 4.460 -0.000 0.000 0.267 175 C C 1.191 176.096 174.990 -0.141 0.000 1.278 175 C CA -0.634 58.294 59.018 -0.151 0.000 1.708 175 C CB -1.711 25.965 27.740 -0.106 0.000 1.860 175 C HN 0.154 nan 8.230 nan 0.000 0.589 176 L N 3.037 124.155 121.223 -0.176 0.000 2.439 176 L HA 0.261 4.601 4.340 -0.000 0.000 0.269 176 L C -1.518 175.259 176.870 -0.156 0.000 1.179 176 L CA -1.083 53.653 54.840 -0.174 0.000 0.828 176 L CB 0.474 42.410 42.059 -0.205 0.000 1.106 176 L HN 0.062 nan 8.230 nan 0.000 0.467 177 P HA 0.048 nan 4.420 nan 0.000 0.271 177 P C -0.619 176.601 177.300 -0.133 0.000 1.233 177 P CA -0.483 62.540 63.100 -0.130 0.000 0.789 177 P CB 0.529 32.153 31.700 -0.128 0.000 0.951 178 S N 0.432 116.071 115.700 -0.102 0.000 2.566 178 S HA -0.031 4.439 4.470 -0.000 0.000 0.280 178 S C 1.398 175.937 174.600 -0.101 0.000 1.343 178 S CA -0.237 57.908 58.200 -0.093 0.000 1.036 178 S CB 0.160 63.319 63.200 -0.068 0.000 0.866 178 S HN 0.467 nan 8.310 nan 0.000 0.526 179 Q N 1.177 120.922 119.800 -0.092 0.000 2.133 179 Q HA -0.242 4.098 4.340 -0.000 0.000 0.208 179 Q C 2.113 178.070 176.000 -0.072 0.000 0.991 179 Q CA 2.334 58.084 55.803 -0.088 0.000 0.867 179 Q CB -0.343 28.357 28.738 -0.065 0.000 0.911 179 Q HN 0.861 nan 8.270 nan 0.000 0.417 180 E N 0.506 120.672 120.200 -0.056 0.000 2.153 180 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 180 E C 1.360 177.934 176.600 -0.044 0.000 0.988 180 E CA 0.827 57.202 56.400 -0.042 0.000 0.811 180 E CB 0.035 29.715 29.700 -0.033 0.000 0.746 180 E HN 0.262 nan 8.360 nan 0.000 0.466 181 K N -0.061 120.305 120.400 -0.058 0.000 2.444 181 K HA 0.109 4.429 4.320 -0.000 0.000 0.193 181 K C 0.226 176.784 176.600 -0.070 0.000 1.024 181 K CA -0.045 56.209 56.287 -0.055 0.000 1.077 181 K CB 0.305 32.771 32.500 -0.057 0.000 0.833 181 K HN 0.037 nan 8.250 nan 0.000 0.517 182 M N 1.818 121.362 119.600 -0.094 0.000 2.238 182 M HA 0.174 4.654 4.480 -0.000 0.000 0.347 182 M C -2.162 174.126 176.300 -0.020 0.000 1.173 182 M CA -2.386 52.838 55.300 -0.128 0.000 1.147 182 M CB -0.341 32.134 32.600 -0.208 0.000 1.547 182 M HN -0.192 nan 8.290 nan 0.000 0.455 183 P HA -0.043 nan 4.420 nan 0.000 0.268 183 P C 0.772 178.105 177.300 0.054 0.000 1.208 183 P CA -0.027 63.126 63.100 0.088 0.000 0.777 183 P CB 0.381 32.174 31.700 0.154 0.000 0.875 184 E N 2.081 122.278 120.200 -0.004 0.000 2.409 184 E HA -0.169 4.181 4.350 -0.000 0.000 0.198 184 E C 1.376 177.798 176.600 -0.297 0.000 1.024 184 E CA 1.358 57.729 56.400 -0.048 0.000 0.861 184 E CB -0.622 29.103 29.700 0.043 0.000 0.788 184 E HN 0.425 nan 8.360 nan 0.000 0.521 185 A N 0.526 123.005 122.820 -0.569 0.000 2.019 185 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 185 A C 1.490 178.612 177.584 -0.769 0.000 1.164 185 A CA 0.964 52.201 52.037 -1.333 0.000 0.644 185 A CB -0.870 17.522 19.000 -1.014 0.000 0.805 185 A HN 0.339 nan 8.150 nan 0.000 0.449 186 Y N 0.612 120.680 120.300 -0.385 0.000 2.583 186 Y HA -0.041 4.509 4.550 -0.000 0.000 0.293 186 Y C 2.468 178.300 175.900 -0.114 0.000 1.157 186 Y CA 0.955 58.823 58.100 -0.387 0.000 1.315 186 Y CB 0.016 38.183 38.460 -0.489 0.000 1.021 186 Y HN 0.441 nan 8.280 nan 0.000 0.536 187 S N -0.845 114.854 115.700 -0.002 0.000 2.556 187 S HA 0.381 4.851 4.470 -0.000 0.000 0.216 187 S C 0.982 175.625 174.600 0.072 0.000 0.970 187 S CA -0.234 57.995 58.200 0.048 0.000 0.912 187 S CB -0.360 62.855 63.200 0.025 0.000 0.790 187 S HN 0.195 nan 8.310 nan 0.000 0.504 188 A N 2.228 125.089 122.820 0.069 0.000 2.567 188 A HA 0.223 4.543 4.320 -0.000 0.000 0.240 188 A C 0.291 177.959 177.584 0.139 0.000 1.053 188 A CA -0.052 52.068 52.037 0.138 0.000 0.755 188 A CB -0.099 18.999 19.000 0.164 0.000 0.978 188 A HN 0.558 nan 8.150 nan 0.000 0.507 189 K N 2.072 122.519 120.400 0.078 0.000 2.412 189 K HA 0.312 4.632 4.320 -0.000 0.000 0.284 189 K C -0.743 175.987 176.600 0.215 0.000 1.046 189 K CA 0.662 56.956 56.287 0.012 0.000 0.999 189 K CB 0.310 32.597 32.500 -0.354 0.000 0.941 189 K HN 0.596 nan 8.250 nan 0.000 0.474 190 I N 2.303 123.054 120.570 0.301 0.000 2.474 190 I HA 0.381 4.551 4.170 -0.000 0.000 0.294 190 I C -0.352 176.049 176.117 0.473 0.000 1.005 190 I CA -0.801 60.714 61.300 0.358 0.000 1.113 190 I CB 1.996 40.090 38.000 0.156 0.000 1.289 190 I HN 0.574 nan 8.210 nan 0.000 0.436 191 A N 7.050 130.146 122.820 0.461 0.000 2.355 191 A HA 0.921 5.241 4.320 -0.000 0.000 0.317 191 A C -1.185 176.572 177.584 0.288 0.000 1.094 191 A CA -0.427 51.826 52.037 0.360 0.000 0.764 191 A CB 1.147 20.213 19.000 0.110 0.000 1.230 191 A HN 0.573 nan 8.150 nan 0.000 0.448 192 L N 2.285 123.678 121.223 0.284 0.000 2.386 192 L HA 0.522 4.862 4.340 -0.000 0.000 0.271 192 L C -0.835 176.199 176.870 0.275 0.000 0.993 192 L CA -0.368 54.646 54.840 0.290 0.000 0.819 192 L CB 1.916 44.130 42.059 0.259 0.000 1.294 192 L HN 0.468 nan 8.230 nan 0.000 0.414 193 L N 2.793 124.142 121.223 0.209 0.000 2.287 193 L HA 0.790 5.130 4.340 -0.000 0.000 0.287 193 L C 0.443 177.387 176.870 0.123 0.000 1.022 193 L CA -0.195 54.734 54.840 0.150 0.000 0.814 193 L CB 0.594 42.683 42.059 0.049 0.000 1.217 193 L HN 0.775 nan 8.230 nan 0.000 0.420 194 G N 3.024 111.895 108.800 0.118 0.000 3.190 194 G HA2 0.083 4.043 3.960 -0.000 0.000 0.686 194 G HA3 0.083 4.043 3.960 -0.000 0.000 0.686 194 G C -0.125 174.838 174.900 0.105 0.000 1.033 194 G CA -0.329 44.825 45.100 0.091 0.000 0.797 194 G HN 0.982 nan 8.290 nan 0.000 0.567 195 A N 1.924 124.789 122.820 0.074 0.000 3.282 195 A HA 0.775 5.095 4.320 -0.000 0.000 0.287 195 A C 1.260 178.895 177.584 0.085 0.000 1.366 195 A CA 1.072 53.152 52.037 0.072 0.000 1.069 195 A CB -0.251 18.776 19.000 0.046 0.000 1.109 195 A HN 2.101 nan 8.150 nan 0.000 0.638 196 G N -0.325 108.535 108.800 0.100 0.000 2.642 196 G HA2 0.507 4.467 3.960 -0.000 0.000 0.291 196 G HA3 0.507 4.467 3.960 -0.000 0.000 0.291 196 G C -1.627 173.329 174.900 0.093 0.000 1.345 196 G CA -1.454 43.705 45.100 0.098 0.000 1.043 196 G HN 0.091 nan 8.290 nan 0.000 0.528 197 P HA -0.163 nan 4.420 nan 0.000 0.216 197 P C 2.117 179.470 177.300 0.087 0.000 1.154 197 P CA 2.463 65.603 63.100 0.067 0.000 0.865 197 P CB 0.134 31.867 31.700 0.055 0.000 0.789 198 A N -0.915 121.989 122.820 0.140 0.000 1.858 198 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 198 A C 2.400 180.072 177.584 0.146 0.000 1.190 198 A CA 2.397 54.560 52.037 0.211 0.000 0.617 198 A CB -1.538 17.684 19.000 0.370 0.000 0.827 198 A HN 0.131 nan 8.150 nan 0.000 0.443 199 S N -0.386 115.456 115.700 0.238 0.000 2.383 199 S HA -0.046 4.424 4.470 -0.000 0.000 0.227 199 S C 1.799 176.400 174.600 0.001 0.000 1.026 199 S CA 1.254 59.530 58.200 0.127 0.000 0.981 199 S CB -0.467 62.879 63.200 0.244 0.000 0.818 199 S HN 0.509 nan 8.310 nan 0.000 0.472 200 I N 0.948 121.537 120.570 0.033 0.000 2.226 200 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 200 I C 2.663 178.774 176.117 -0.010 0.000 1.100 200 I CA 1.124 62.429 61.300 0.007 0.000 1.374 200 I CB -0.353 37.655 38.000 0.014 0.000 1.057 200 I HN 0.298 nan 8.210 nan 0.000 0.413 201 S N -0.213 115.494 115.700 0.011 0.000 2.355 201 S HA -0.244 4.226 4.470 -0.000 0.000 0.222 201 S C 2.322 176.990 174.600 0.113 0.000 1.031 201 S CA 1.635 59.882 58.200 0.078 0.000 0.993 201 S CB -0.564 62.712 63.200 0.128 0.000 0.859 201 S HN 0.619 nan 8.310 nan 0.000 0.453 202 C N 1.634 120.876 119.300 -0.098 0.000 2.413 202 C HA 0.046 4.506 4.460 -0.000 0.000 0.276 202 C C 3.013 177.947 174.990 -0.094 0.000 1.236 202 C CA 1.269 60.147 59.018 -0.233 0.000 1.735 202 C CB -1.770 25.447 27.740 -0.871 0.000 2.031 202 C HN 0.685 nan 8.230 nan 0.000 0.474 203 A N -0.166 122.598 122.820 -0.093 0.000 1.902 203 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 203 A C 2.357 179.939 177.584 -0.004 0.000 1.181 203 A CA 2.390 54.408 52.037 -0.032 0.000 0.623 203 A CB -0.971 18.017 19.000 -0.019 0.000 0.818 203 A HN 0.658 nan 8.150 nan 0.000 0.443 204 S N -0.751 114.930 115.700 -0.031 0.000 2.356 204 S HA -0.119 4.351 4.470 -0.000 0.000 0.223 204 S C 1.612 176.142 174.600 -0.117 0.000 1.032 204 S CA 1.598 59.737 58.200 -0.101 0.000 1.005 204 S CB -0.547 62.532 63.200 -0.201 0.000 0.867 204 S HN 0.545 nan 8.310 nan 0.000 0.449 205 F N 1.563 121.523 119.950 0.017 0.000 2.186 205 F HA 0.031 4.558 4.527 -0.000 0.000 0.299 205 F C 2.014 177.849 175.800 0.059 0.000 1.090 205 F CA 0.670 58.695 58.000 0.041 0.000 1.307 205 F CB -0.545 38.472 39.000 0.027 0.000 1.019 205 F HN 0.116 nan 8.300 nan 0.000 0.489 206 L N -0.708 120.632 121.223 0.195 0.000 2.046 206 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 206 L C 2.700 179.731 176.870 0.269 0.000 1.077 206 L CA 1.135 56.087 54.840 0.187 0.000 0.747 206 L CB -0.981 41.092 42.059 0.023 0.000 0.896 206 L HN 0.136 nan 8.230 nan 0.000 0.432 207 A N 0.096 123.005 122.820 0.149 0.000 1.933 207 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 207 A C 2.360 179.986 177.584 0.070 0.000 1.175 207 A CA 1.310 53.412 52.037 0.108 0.000 0.628 207 A CB -0.437 18.588 19.000 0.042 0.000 0.814 207 A HN 0.322 nan 8.150 nan 0.000 0.444 208 R N -0.587 119.951 120.500 0.062 0.000 2.096 208 R HA -0.032 4.308 4.340 -0.000 0.000 0.235 208 R C 1.776 178.106 176.300 0.050 0.000 1.127 208 R CA 1.332 57.462 56.100 0.050 0.000 0.968 208 R CB -0.498 29.849 30.300 0.078 0.000 0.861 208 R HN 0.492 nan 8.270 nan 0.000 0.440 209 L N -0.693 120.589 121.223 0.099 0.000 2.465 209 L HA 0.000 4.340 4.340 -0.000 0.000 0.224 209 L C 1.373 178.173 176.870 -0.116 0.000 1.145 209 L CA 0.955 55.814 54.840 0.031 0.000 0.834 209 L CB 0.025 42.123 42.059 0.066 0.000 0.944 209 L HN 0.563 nan 8.230 nan 0.000 0.451 210 G N -2.330 106.414 108.800 -0.093 0.000 2.205 210 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.180 210 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.180 210 G C -0.055 174.753 174.900 -0.153 0.000 1.004 210 G CA -0.701 44.240 45.100 -0.265 0.000 0.670 210 G HN 0.134 nan 8.290 nan 0.000 0.496 211 Y N 2.075 122.477 120.300 0.170 0.000 2.544 211 Y HA 0.338 4.888 4.550 -0.000 0.000 0.330 211 Y C 1.837 177.783 175.900 0.076 0.000 1.136 211 Y CA 0.895 59.095 58.100 0.166 0.000 1.417 211 Y CB 1.265 39.800 38.460 0.126 0.000 1.229 211 Y HN 0.259 nan 8.280 nan 0.000 0.532 212 S N -0.598 115.203 115.700 0.168 0.000 2.540 212 S HA 0.084 4.554 4.470 -0.000 0.000 0.218 212 S C 0.042 174.698 174.600 0.094 0.000 0.977 212 S CA -0.162 58.094 58.200 0.092 0.000 0.918 212 S CB 0.259 63.483 63.200 0.041 0.000 0.806 212 S HN 0.648 nan 8.310 nan 0.000 0.496 213 D N 1.424 121.903 120.400 0.132 0.000 2.443 213 D HA 0.420 5.060 4.640 -0.000 0.000 0.281 213 D C -1.162 175.217 176.300 0.132 0.000 1.210 213 D CA -0.301 53.763 54.000 0.106 0.000 0.875 213 D CB 0.198 41.049 40.800 0.084 0.000 1.125 213 D HN 0.348 nan 8.370 nan 0.000 0.503 214 I N 1.325 121.961 120.570 0.110 0.000 2.406 214 I HA 0.338 4.508 4.170 -0.000 0.000 0.290 214 I C -0.088 176.061 176.117 0.054 0.000 0.999 214 I CA -0.419 60.943 61.300 0.104 0.000 1.124 214 I CB 2.201 40.250 38.000 0.082 0.000 1.289 214 I HN -0.057 nan 8.210 nan 0.000 0.441 215 T N 6.757 121.342 114.554 0.051 0.000 2.879 215 T HA 0.571 4.921 4.350 -0.000 0.000 0.290 215 T C -0.270 174.282 174.700 -0.247 0.000 0.993 215 T CA -0.384 61.627 62.100 -0.148 0.000 0.975 215 T CB 1.562 70.273 68.868 -0.261 0.000 0.981 215 T HN 0.261 nan 8.240 nan 0.000 0.439 216 I N 3.351 123.755 120.570 -0.276 0.000 2.321 216 I HA 0.408 4.578 4.170 -0.000 0.000 0.291 216 I C -0.848 175.086 176.117 -0.305 0.000 0.998 216 I CA -0.711 60.494 61.300 -0.159 0.000 1.227 216 I CB 0.878 38.852 38.000 -0.042 0.000 1.368 216 I HN 0.531 nan 8.210 nan 0.000 0.466 217 F N 4.617 124.586 119.950 0.031 0.000 2.385 217 F HA 0.356 4.883 4.527 -0.000 0.000 0.360 217 F C 0.400 176.201 175.800 0.002 0.000 1.122 217 F CA -0.630 57.376 58.000 0.010 0.000 1.090 217 F CB 1.088 40.081 39.000 -0.012 0.000 1.150 217 F HN 0.387 nan 8.300 nan 0.000 0.472 218 E N 3.278 123.550 120.200 0.121 0.000 2.171 218 E HA 0.246 4.596 4.350 -0.000 0.000 0.271 218 E C 0.657 177.265 176.600 0.012 0.000 0.916 218 E CA -0.612 55.814 56.400 0.043 0.000 0.774 218 E CB 1.587 31.280 29.700 -0.012 0.000 1.128 218 E HN 0.533 nan 8.360 nan 0.000 0.403 219 K N 2.953 123.343 120.400 -0.018 0.000 2.026 219 K HA -0.083 4.237 4.320 -0.000 0.000 0.208 219 K C 0.395 176.936 176.600 -0.099 0.000 1.048 219 K CA 1.042 57.306 56.287 -0.038 0.000 0.929 219 K CB 0.145 32.624 32.500 -0.035 0.000 0.713 219 K HN 0.547 nan 8.250 nan 0.000 0.439 220 Q N 0.529 120.197 119.800 -0.220 0.000 2.414 220 Q HA 0.019 4.359 4.340 -0.000 0.000 0.206 220 Q C 0.722 176.540 176.000 -0.303 0.000 1.058 220 Q CA 0.387 55.962 55.803 -0.380 0.000 1.025 220 Q CB 0.760 28.923 28.738 -0.958 0.000 1.196 220 Q HN 0.294 nan 8.270 nan 0.000 0.586 221 E N -0.048 119.992 120.200 -0.266 0.000 2.474 221 E HA -0.000 4.350 4.350 -0.000 0.000 0.194 221 E C -0.340 176.240 176.600 -0.033 0.000 1.041 221 E CA 0.124 56.471 56.400 -0.089 0.000 0.874 221 E CB 0.229 29.930 29.700 0.002 0.000 0.914 221 E HN 0.413 nan 8.360 nan 0.000 0.498 222 Y N -0.897 119.405 120.300 0.003 0.000 2.567 222 Y HA 0.569 5.118 4.550 -0.000 0.000 0.333 222 Y C -0.120 175.802 175.900 0.037 0.000 1.106 222 Y CA -1.888 56.215 58.100 0.005 0.000 1.157 222 Y CB 0.528 38.960 38.460 -0.048 0.000 1.277 222 Y HN -0.259 nan 8.280 nan 0.000 0.490 223 V N -1.684 118.404 119.914 0.290 0.000 3.019 223 V HA 0.971 5.091 4.120 -0.000 0.000 0.317 223 V C 0.480 176.735 176.094 0.268 0.000 1.094 223 V CA -0.436 61.983 62.300 0.199 0.000 1.000 223 V CB 0.961 32.852 31.823 0.113 0.000 1.060 223 V HN 1.755 nan 8.190 nan 0.000 0.443 224 G N -0.556 108.351 108.800 0.179 0.000 2.211 224 G HA2 0.284 4.244 3.960 -0.000 0.000 0.201 224 G HA3 0.284 4.244 3.960 -0.000 0.000 0.201 224 G C 1.513 176.502 174.900 0.147 0.000 0.997 224 G CA 0.514 45.704 45.100 0.150 0.000 0.652 224 G HN 2.835 nan 8.290 nan 0.000 0.500 225 G N 0.077 108.989 108.800 0.188 0.000 2.566 225 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.280 225 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.280 225 G C 1.142 176.132 174.900 0.150 0.000 1.225 225 G CA 0.606 45.804 45.100 0.163 0.000 0.966 225 G HN 1.193 nan 8.290 nan 0.000 0.560 226 L N 0.751 122.031 121.223 0.095 0.000 2.191 226 L HA -0.077 4.263 4.340 -0.000 0.000 0.212 226 L C 3.169 180.054 176.870 0.026 0.000 1.103 226 L CA 1.860 56.733 54.840 0.055 0.000 0.769 226 L CB -0.549 41.536 42.059 0.043 0.000 0.908 226 L HN 0.542 nan 8.230 nan 0.000 0.438 227 S N -0.986 114.737 115.700 0.040 0.000 2.419 227 S HA -0.160 4.310 4.470 -0.000 0.000 0.235 227 S C 1.921 176.536 174.600 0.024 0.000 1.019 227 S CA 1.778 59.992 58.200 0.025 0.000 0.982 227 S CB -0.188 63.032 63.200 0.034 0.000 0.789 227 S HN 0.484 nan 8.310 nan 0.000 0.490 228 T N 1.326 115.905 114.554 0.042 0.000 2.988 228 T HA 0.022 4.372 4.350 -0.000 0.000 0.240 228 T C 2.319 176.894 174.700 -0.208 0.000 1.014 228 T CA 1.039 63.140 62.100 0.002 0.000 1.155 228 T CB -0.273 68.651 68.868 0.093 0.000 0.872 228 T HN 0.583 nan 8.240 nan 0.000 0.440 229 S N 1.263 116.844 115.700 -0.198 0.000 2.436 229 S HA 0.077 4.547 4.470 -0.000 0.000 0.228 229 S C 1.595 176.087 174.600 -0.180 0.000 1.014 229 S CA 0.768 58.801 58.200 -0.277 0.000 0.950 229 S CB -0.101 63.055 63.200 -0.074 0.000 0.784 229 S HN 0.537 nan 8.310 nan 0.000 0.504 230 E N -0.065 120.067 120.200 -0.114 0.000 2.441 230 E HA 0.355 4.705 4.350 -0.000 0.000 0.207 230 E C -0.162 176.370 176.600 -0.115 0.000 0.803 230 E CA -0.249 56.089 56.400 -0.104 0.000 1.240 230 E CB 0.349 30.024 29.700 -0.043 0.000 1.233 230 E HN 0.406 nan 8.360 nan 0.000 0.590 231 I N 4.729 125.243 120.570 -0.093 0.000 2.668 231 I HA 0.021 4.191 4.170 -0.000 0.000 0.285 231 I C -2.272 173.724 176.117 -0.202 0.000 1.168 231 I CA -1.625 59.609 61.300 -0.110 0.000 1.424 231 I CB 0.041 38.002 38.000 -0.065 0.000 1.377 231 I HN -0.198 nan 8.210 nan 0.000 0.560 232 P HA -0.052 nan 4.420 nan 0.000 0.266 232 P C 0.212 177.212 177.300 -0.501 0.000 1.195 232 P CA -0.109 62.624 63.100 -0.612 0.000 0.768 232 P CB 0.586 31.459 31.700 -1.380 0.000 0.838 233 Q N 3.130 122.725 119.800 -0.342 0.000 2.181 233 Q HA -0.175 4.165 4.340 -0.000 0.000 0.205 233 Q C 1.186 177.194 176.000 0.013 0.000 0.980 233 Q CA 1.948 57.680 55.803 -0.118 0.000 0.862 233 Q CB -0.925 27.755 28.738 -0.096 0.000 0.905 233 Q HN 0.582 nan 8.270 nan 0.000 0.429 234 F N -2.011 118.058 119.950 0.199 0.000 2.802 234 F HA 0.312 4.839 4.527 -0.000 0.000 0.300 234 F C 1.438 177.294 175.800 0.093 0.000 1.168 234 F CA 0.127 58.211 58.000 0.140 0.000 1.433 234 F CB -0.054 39.005 39.000 0.100 0.000 1.115 234 F HN -0.030 nan 8.300 nan 0.000 0.582 235 R N -0.274 120.261 120.500 0.057 0.000 2.350 235 R HA 0.345 4.685 4.340 -0.000 0.000 0.199 235 R C -0.596 175.725 176.300 0.035 0.000 0.876 235 R CA -0.079 56.074 56.100 0.089 0.000 1.062 235 R CB 0.391 30.718 30.300 0.045 0.000 1.263 235 R HN 0.220 nan 8.270 nan 0.000 0.641 236 L N 2.663 123.874 121.223 -0.020 0.000 2.485 236 L HA 0.476 4.816 4.340 -0.000 0.000 0.260 236 L C -2.883 173.985 176.870 -0.003 0.000 0.998 236 L CA -2.217 52.619 54.840 -0.007 0.000 0.883 236 L CB 1.645 43.693 42.059 -0.018 0.000 1.196 236 L HN -0.188 nan 8.230 nan 0.000 0.443 237 P HA 0.009 nan 4.420 nan 0.000 0.265 237 P C -0.023 177.296 177.300 0.030 0.000 1.193 237 P CA 0.161 63.279 63.100 0.029 0.000 0.765 237 P CB 0.300 32.017 31.700 0.028 0.000 0.823 238 Y N 4.464 124.721 120.300 -0.070 0.000 2.256 238 Y HA -0.269 4.281 4.550 -0.000 0.000 0.288 238 Y C 1.818 177.701 175.900 -0.027 0.000 1.155 238 Y CA 2.165 60.221 58.100 -0.073 0.000 1.203 238 Y CB -0.502 37.884 38.460 -0.124 0.000 0.980 238 Y HN 0.396 nan 8.280 nan 0.000 0.530 239 D N -1.011 119.304 120.400 -0.142 0.000 2.263 239 D HA -0.148 4.492 4.640 -0.000 0.000 0.208 239 D C 2.021 178.243 176.300 -0.129 0.000 0.971 239 D CA 1.261 55.157 54.000 -0.174 0.000 0.867 239 D CB -0.860 39.908 40.800 -0.054 0.000 0.929 239 D HN 0.351 nan 8.370 nan 0.000 0.492 240 V N 0.678 120.543 119.914 -0.082 0.000 2.307 240 V HA -0.216 3.904 4.120 -0.000 0.000 0.245 240 V C 2.906 179.022 176.094 0.037 0.000 1.045 240 V CA 1.290 63.611 62.300 0.035 0.000 1.024 240 V CB -0.325 31.520 31.823 0.035 0.000 0.651 240 V HN 0.120 nan 8.190 nan 0.000 0.449 241 V N 0.820 120.659 119.914 -0.124 0.000 2.287 241 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 241 V C 2.447 178.421 176.094 -0.199 0.000 1.053 241 V CA 2.371 64.581 62.300 -0.150 0.000 1.027 241 V CB -0.992 30.724 31.823 -0.178 0.000 0.646 241 V HN 0.619 nan 8.190 nan 0.000 0.447 242 N N 0.284 118.750 118.700 -0.389 0.000 2.104 242 N HA -0.231 4.509 4.740 -0.000 0.000 0.190 242 N C 1.789 177.251 175.510 -0.079 0.000 1.024 242 N CA 1.996 54.883 53.050 -0.272 0.000 0.853 242 N CB -0.431 37.849 38.487 -0.345 0.000 1.008 242 N HN 0.496 nan 8.380 nan 0.000 0.424 243 F N 1.779 121.635 119.950 -0.157 0.000 2.095 243 F HA -0.097 4.430 4.527 -0.000 0.000 0.298 243 F C 2.029 177.802 175.800 -0.044 0.000 1.104 243 F CA 1.655 59.595 58.000 -0.099 0.000 1.232 243 F CB -0.519 38.428 39.000 -0.089 0.000 0.987 243 F HN 0.130 nan 8.300 nan 0.000 0.475 244 E N 0.435 120.422 120.200 -0.356 0.000 2.150 244 E HA -0.143 4.206 4.350 -0.000 0.000 0.193 244 E C 2.387 178.853 176.600 -0.224 0.000 0.985 244 E CA 1.434 57.606 56.400 -0.380 0.000 0.814 244 E CB -0.208 29.436 29.700 -0.094 0.000 0.752 244 E HN 0.508 nan 8.360 nan 0.000 0.466 245 I N 1.285 121.769 120.570 -0.144 0.000 2.353 245 I HA -0.192 3.978 4.170 -0.000 0.000 0.248 245 I C 2.194 178.253 176.117 -0.096 0.000 1.119 245 I CA 0.761 62.008 61.300 -0.089 0.000 1.417 245 I CB -0.126 37.844 38.000 -0.050 0.000 1.078 245 I HN 0.021 nan 8.210 nan 0.000 0.421 246 E N 0.938 121.068 120.200 -0.117 0.000 2.110 246 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 246 E C 2.353 178.884 176.600 -0.114 0.000 0.988 246 E CA 1.037 57.381 56.400 -0.093 0.000 0.804 246 E CB -0.278 29.381 29.700 -0.069 0.000 0.745 246 E HN 0.497 nan 8.360 nan 0.000 0.458 247 L N 0.329 121.434 121.223 -0.197 0.000 2.046 247 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 247 L C 2.706 179.539 176.870 -0.063 0.000 1.077 247 L CA 1.146 55.901 54.840 -0.142 0.000 0.747 247 L CB -0.368 41.556 42.059 -0.225 0.000 0.896 247 L HN 0.186 nan 8.230 nan 0.000 0.432 248 M N -0.067 119.491 119.600 -0.070 0.000 2.117 248 M HA -0.237 4.243 4.480 -0.000 0.000 0.262 248 M C 2.176 178.453 176.300 -0.039 0.000 1.065 248 M CA 1.790 57.063 55.300 -0.045 0.000 1.114 248 M CB -0.061 32.511 32.600 -0.046 0.000 1.361 248 M HN 0.069 nan 8.290 nan 0.000 0.408 249 K N 0.132 120.506 120.400 -0.043 0.000 2.280 249 K HA -0.155 4.165 4.320 -0.000 0.000 0.202 249 K C 1.281 177.862 176.600 -0.032 0.000 1.047 249 K CA 1.274 57.541 56.287 -0.033 0.000 0.942 249 K CB -0.231 32.251 32.500 -0.031 0.000 0.739 249 K HN 0.424 nan 8.250 nan 0.000 0.457 250 D N 0.949 121.324 120.400 -0.041 0.000 2.218 250 D HA -0.121 4.519 4.640 -0.000 0.000 0.204 250 D C 1.417 177.692 176.300 -0.042 0.000 0.976 250 D CA 0.942 54.917 54.000 -0.042 0.000 0.853 250 D CB 0.075 40.845 40.800 -0.050 0.000 0.939 250 D HN 0.205 nan 8.370 nan 0.000 0.481 251 L N -0.825 120.375 121.223 -0.039 0.000 2.591 251 L HA 0.190 4.530 4.340 -0.000 0.000 0.228 251 L C 1.503 178.362 176.870 -0.018 0.000 1.133 251 L CA 0.339 55.158 54.840 -0.034 0.000 0.880 251 L CB 0.038 42.078 42.059 -0.031 0.000 1.033 251 L HN 0.106 nan 8.230 nan 0.000 0.450 252 G N -0.217 108.573 108.800 -0.016 0.000 2.175 252 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.244 252 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.244 252 G C 0.311 175.211 174.900 0.001 0.000 0.982 252 G CA -0.046 45.050 45.100 -0.006 0.000 0.641 252 G HN 0.079 nan 8.290 nan 0.000 0.527 253 V N 1.500 121.412 119.914 -0.003 0.000 2.599 253 V HA 0.291 4.411 4.120 -0.000 0.000 0.300 253 V C 0.873 176.955 176.094 -0.019 0.000 1.034 253 V CA 0.571 62.868 62.300 -0.004 0.000 1.115 253 V CB 1.053 32.870 31.823 -0.010 0.000 0.934 253 V HN 0.374 nan 8.190 nan 0.000 0.485 254 K N 5.405 125.787 120.400 -0.031 0.000 2.123 254 K HA 0.716 5.036 4.320 -0.000 0.000 0.259 254 K C -0.855 175.686 176.600 -0.099 0.000 0.960 254 K CA -0.483 55.771 56.287 -0.054 0.000 0.872 254 K CB 1.804 34.272 32.500 -0.054 0.000 1.079 254 K HN 0.504 nan 8.250 nan 0.000 0.440 255 I N 3.619 124.135 120.570 -0.089 0.000 2.466 255 I HA 0.373 4.543 4.170 -0.000 0.000 0.289 255 I C -0.736 175.321 176.117 -0.100 0.000 1.026 255 I CA -0.708 60.529 61.300 -0.105 0.000 1.078 255 I CB 1.602 39.573 38.000 -0.047 0.000 1.249 255 I HN 0.406 nan 8.210 nan 0.000 0.429 256 I N 5.276 125.758 120.570 -0.147 0.000 2.410 256 I HA 0.358 4.527 4.170 -0.000 0.000 0.286 256 I C -0.292 175.829 176.117 0.008 0.000 1.009 256 I CA -0.372 60.891 61.300 -0.062 0.000 1.111 256 I CB 1.588 39.551 38.000 -0.062 0.000 1.262 256 I HN 0.565 nan 8.210 nan 0.000 0.443 257 C N 3.530 122.840 119.300 0.017 0.000 2.362 257 C HA 0.643 5.103 4.460 -0.000 0.000 0.363 257 C C 1.476 176.485 174.990 0.033 0.000 1.220 257 C CA 0.441 59.467 59.018 0.012 0.000 2.379 257 C CB 0.784 28.517 27.740 -0.011 0.000 2.351 257 C HN 1.097 nan 8.230 nan 0.000 0.582 258 G N 1.450 110.256 108.800 0.011 0.000 2.143 258 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.248 258 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.248 258 G C -0.376 174.551 174.900 0.045 0.000 0.991 258 G CA 0.035 45.147 45.100 0.019 0.000 0.689 258 G HN 0.572 nan 8.290 nan 0.000 0.522 259 K N 0.674 121.118 120.400 0.074 0.000 2.463 259 K HA 0.661 4.981 4.320 -0.000 0.000 0.255 259 K C -0.458 176.178 176.600 0.060 0.000 0.942 259 K CA -0.403 55.938 56.287 0.090 0.000 0.814 259 K CB 1.795 34.426 32.500 0.218 0.000 1.122 259 K HN 0.147 nan 8.250 nan 0.000 0.425 260 S N 1.814 117.520 115.700 0.010 0.000 2.537 260 S HA 0.410 4.880 4.470 -0.000 0.000 0.301 260 S C -0.622 173.956 174.600 -0.036 0.000 1.092 260 S CA -0.806 57.392 58.200 -0.003 0.000 1.048 260 S CB 1.555 64.752 63.200 -0.004 0.000 1.053 260 S HN 0.467 nan 8.310 nan 0.000 0.501 261 L N 3.153 124.358 121.223 -0.030 0.000 2.342 261 L HA 0.644 4.984 4.340 -0.000 0.000 0.285 261 L C -0.153 176.701 176.870 -0.026 0.000 1.095 261 L CA 0.882 55.694 54.840 -0.047 0.000 0.843 261 L CB -0.089 41.949 42.059 -0.035 0.000 1.201 261 L HN 0.635 nan 8.230 nan 0.000 0.445 262 S N 2.535 118.216 115.700 -0.031 0.000 2.580 262 S HA 0.238 4.708 4.470 -0.000 0.000 0.281 262 S C 0.461 175.049 174.600 -0.019 0.000 1.129 262 S CA -0.177 58.013 58.200 -0.017 0.000 0.862 262 S CB 1.155 64.348 63.200 -0.011 0.000 1.090 262 S HN 0.731 nan 8.310 nan 0.000 0.451 263 E N 2.726 122.918 120.200 -0.013 0.000 2.181 263 E HA -0.238 4.112 4.350 -0.000 0.000 0.225 263 E C 0.835 177.428 176.600 -0.012 0.000 1.073 263 E CA 2.629 59.022 56.400 -0.012 0.000 0.916 263 E CB -0.169 29.524 29.700 -0.011 0.000 0.793 263 E HN 0.618 nan 8.360 nan 0.000 0.472 264 N N 0.168 118.862 118.700 -0.011 0.000 2.268 264 N HA 0.066 4.806 4.740 -0.000 0.000 0.204 264 N C 0.174 175.676 175.510 -0.014 0.000 1.124 264 N CA 0.215 53.260 53.050 -0.009 0.000 0.838 264 N CB 0.579 39.063 38.487 -0.005 0.000 0.994 264 N HN 0.377 nan 8.380 nan 0.000 0.489 265 E N 0.140 120.326 120.200 -0.023 0.000 4.027 265 E HA 0.382 4.732 4.350 -0.000 0.000 0.301 265 E C -0.030 176.531 176.600 -0.064 0.000 0.824 265 E CA -0.632 55.746 56.400 -0.036 0.000 1.453 265 E CB 0.766 30.446 29.700 -0.034 0.000 2.320 265 E HN -0.047 nan 8.360 nan 0.000 0.484 266 I N 2.211 122.721 120.570 -0.100 0.000 2.365 266 I HA 0.179 4.349 4.170 -0.000 0.000 0.291 266 I C 0.094 176.149 176.117 -0.103 0.000 1.004 266 I CA -0.125 61.080 61.300 -0.157 0.000 1.311 266 I CB 1.173 38.998 38.000 -0.291 0.000 1.401 266 I HN 0.432 nan 8.210 nan 0.000 0.491 267 T N 2.613 117.121 114.554 -0.076 0.000 2.865 267 T HA 0.469 4.819 4.350 -0.000 0.000 0.294 267 T C 0.826 175.534 174.700 0.014 0.000 1.119 267 T CA -0.894 61.190 62.100 -0.026 0.000 1.007 267 T CB 1.375 70.243 68.868 0.001 0.000 1.225 267 T HN 0.401 nan 8.240 nan 0.000 0.515 268 L N 0.785 122.041 121.223 0.055 0.000 2.131 268 L HA -0.073 4.267 4.340 -0.000 0.000 0.210 268 L C 2.533 179.590 176.870 0.311 0.000 1.092 268 L CA 1.095 56.044 54.840 0.182 0.000 0.759 268 L CB -0.629 41.486 42.059 0.095 0.000 0.903 268 L HN 0.654 nan 8.230 nan 0.000 0.435 269 N N -0.282 118.523 118.700 0.175 0.000 2.142 269 N HA -0.142 4.598 4.740 -0.000 0.000 0.186 269 N C 2.005 177.570 175.510 0.092 0.000 1.023 269 N CA 2.031 55.161 53.050 0.135 0.000 0.852 269 N CB -0.440 38.096 38.487 0.082 0.000 0.998 269 N HN 0.451 nan 8.380 nan 0.000 0.424 270 T N -0.612 113.979 114.554 0.063 0.000 2.821 270 T HA 0.031 4.381 4.350 -0.000 0.000 0.267 270 T C 2.214 176.955 174.700 0.068 0.000 1.046 270 T CA 0.549 62.672 62.100 0.039 0.000 1.139 270 T CB -0.505 68.361 68.868 -0.003 0.000 0.871 270 T HN 0.056 nan 8.240 nan 0.000 0.454 271 L N 0.731 122.002 121.223 0.080 0.000 2.017 271 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 271 L C 3.037 180.054 176.870 0.244 0.000 1.073 271 L CA 1.778 56.696 54.840 0.130 0.000 0.745 271 L CB -0.529 41.594 42.059 0.106 0.000 0.894 271 L HN 0.278 nan 8.230 nan 0.000 0.432 272 K N 0.363 120.826 120.400 0.105 0.000 2.063 272 K HA -0.216 4.104 4.320 -0.000 0.000 0.208 272 K C 1.952 178.517 176.600 -0.058 0.000 1.048 272 K CA 1.554 57.737 56.287 -0.174 0.000 0.928 272 K CB 0.011 32.341 32.500 -0.283 0.000 0.713 272 K HN 0.305 nan 8.250 nan 0.000 0.442 273 E N 0.283 120.489 120.200 0.011 0.000 2.153 273 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 273 E C 1.421 178.046 176.600 0.042 0.000 0.988 273 E CA 1.072 57.481 56.400 0.015 0.000 0.811 273 E CB 0.101 29.817 29.700 0.027 0.000 0.746 273 E HN 0.432 nan 8.360 nan 0.000 0.466 274 E N -0.687 119.580 120.200 0.112 0.000 2.502 274 E HA 0.008 4.358 4.350 -0.000 0.000 0.194 274 E C 0.855 177.493 176.600 0.063 0.000 1.062 274 E CA 0.285 56.770 56.400 0.141 0.000 0.867 274 E CB 0.409 30.286 29.700 0.296 0.000 0.888 274 E HN 0.377 nan 8.360 nan 0.000 0.510 275 G N 0.741 109.562 108.800 0.035 0.000 2.157 275 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.239 275 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.239 275 G C -0.237 174.617 174.900 -0.077 0.000 0.982 275 G CA -0.360 44.709 45.100 -0.052 0.000 0.650 275 G HN 0.223 nan 8.290 nan 0.000 0.527 276 Y N 0.835 121.160 120.300 0.043 0.000 2.425 276 Y HA 0.403 4.953 4.550 -0.000 0.000 0.331 276 Y C 1.752 177.703 175.900 0.085 0.000 1.157 276 Y CA 0.199 58.376 58.100 0.128 0.000 1.372 276 Y CB 0.846 39.446 38.460 0.234 0.000 1.253 276 Y HN -0.073 nan 8.280 nan 0.000 0.536 277 K N 1.914 122.489 120.400 0.292 0.000 2.323 277 K HA 0.387 4.707 4.320 -0.000 0.000 0.197 277 K C 0.090 177.027 176.600 0.561 0.000 1.043 277 K CA 0.500 56.968 56.287 0.301 0.000 0.997 277 K CB 0.397 33.069 32.500 0.287 0.000 0.807 277 K HN 0.588 nan 8.250 nan 0.000 0.497 278 A N 0.316 123.511 122.820 0.624 0.000 2.594 278 A HA 0.755 5.075 4.320 -0.000 0.000 0.295 278 A C -1.653 176.250 177.584 0.532 0.000 1.071 278 A CA -0.423 52.005 52.037 0.652 0.000 0.685 278 A CB 1.690 20.942 19.000 0.419 0.000 1.285 278 A HN 0.057 nan 8.150 nan 0.000 0.405 279 A N 0.428 123.451 122.820 0.338 0.000 2.449 279 A HA 0.797 5.117 4.320 -0.000 0.000 0.302 279 A C -1.539 176.154 177.584 0.182 0.000 1.048 279 A CA -0.385 51.761 52.037 0.182 0.000 0.708 279 A CB 1.060 20.035 19.000 -0.042 0.000 1.274 279 A HN 1.795 nan 8.150 nan 0.000 0.410 280 F N 3.652 123.634 119.950 0.053 0.000 2.477 280 F HA 0.635 5.162 4.527 -0.000 0.000 0.335 280 F C -0.878 174.936 175.800 0.023 0.000 1.130 280 F CA -1.169 56.865 58.000 0.057 0.000 0.948 280 F CB 1.125 40.157 39.000 0.054 0.000 1.154 280 F HN 0.377 nan 8.300 nan 0.000 0.439 281 I N 5.838 126.004 120.570 -0.673 0.000 2.301 281 I HA 0.312 4.482 4.170 -0.000 0.000 0.292 281 I C 0.779 176.473 176.117 -0.706 0.000 1.046 281 I CA -0.292 60.704 61.300 -0.507 0.000 1.282 281 I CB 0.439 38.213 38.000 -0.378 0.000 1.409 281 I HN 0.872 nan 8.210 nan 0.000 0.484 282 G N 6.343 114.966 108.800 -0.296 0.000 4.864 282 G HA2 0.320 4.280 3.960 -0.000 0.000 0.280 282 G HA3 0.320 4.280 3.960 -0.000 0.000 0.280 282 G C 0.805 175.714 174.900 0.016 0.000 1.239 282 G CA -0.193 44.860 45.100 -0.078 0.000 0.951 282 G HN 0.706 nan 8.290 nan 0.000 0.583 283 I N -2.039 118.513 120.570 -0.030 0.000 3.564 283 I HA 0.407 4.577 4.170 -0.000 0.000 0.294 283 I C 1.251 177.379 176.117 0.017 0.000 1.289 283 I CA 0.259 61.562 61.300 0.006 0.000 1.325 283 I CB -0.251 37.747 38.000 -0.003 0.000 1.039 283 I HN 0.290 nan 8.210 nan 0.000 0.474 284 G N 2.682 111.489 108.800 0.011 0.000 2.575 284 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.267 284 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.267 284 G C -0.363 174.550 174.900 0.023 0.000 1.264 284 G CA 0.158 45.272 45.100 0.023 0.000 0.935 284 G HN 0.373 nan 8.290 nan 0.000 0.568 285 L N 2.277 123.520 121.223 0.034 0.000 2.387 285 L HA 0.325 4.665 4.340 -0.000 0.000 0.259 285 L C -1.035 175.864 176.870 0.049 0.000 1.050 285 L CA -1.479 53.386 54.840 0.041 0.000 0.922 285 L CB 1.920 44.002 42.059 0.039 0.000 1.280 285 L HN 0.490 nan 8.230 nan 0.000 0.449 286 P HA -0.089 nan 4.420 nan 0.000 0.225 286 P C 0.119 177.455 177.300 0.060 0.000 1.148 286 P CA 0.941 64.073 63.100 0.053 0.000 0.779 286 P CB 0.566 32.293 31.700 0.045 0.000 0.780 287 E N 0.962 121.200 120.200 0.063 0.000 2.221 287 E HA 0.380 4.730 4.350 -0.000 0.000 0.268 287 E C -2.480 174.170 176.600 0.083 0.000 0.933 287 E CA -2.716 53.727 56.400 0.072 0.000 0.809 287 E CB 1.285 31.026 29.700 0.069 0.000 1.190 287 E HN 0.130 nan 8.360 nan 0.000 0.406 288 P HA 0.074 nan 4.420 nan 0.000 0.278 288 P C -1.050 176.337 177.300 0.144 0.000 1.238 288 P CA -0.461 62.710 63.100 0.117 0.000 0.794 288 P CB 0.811 32.583 31.700 0.120 0.000 0.955 289 K N 2.010 122.513 120.400 0.172 0.000 2.349 289 K HA 0.230 4.550 4.320 -0.000 0.000 0.288 289 K C 0.250 177.019 176.600 0.282 0.000 1.058 289 K CA -0.112 56.290 56.287 0.190 0.000 0.953 289 K CB 0.108 32.728 32.500 0.200 0.000 0.997 289 K HN 0.535 nan 8.250 nan 0.000 0.477 290 T N 0.241 114.927 114.554 0.220 0.000 2.952 290 T HA 0.319 4.668 4.350 -0.000 0.000 0.286 290 T C -0.614 174.199 174.700 0.188 0.000 1.024 290 T CA -0.992 61.273 62.100 0.275 0.000 1.029 290 T CB 1.658 70.650 68.868 0.208 0.000 1.094 290 T HN 0.482 nan 8.240 nan 0.000 0.515 291 D N -0.357 120.186 120.400 0.239 0.000 2.649 291 D HA 0.269 4.909 4.640 -0.000 0.000 0.249 291 D C 0.266 176.529 176.300 -0.062 0.000 1.112 291 D CA -0.475 53.537 54.000 0.021 0.000 0.850 291 D CB 2.173 42.961 40.800 -0.020 0.000 1.399 291 D HN 0.470 nan 8.370 nan 0.000 0.503 292 D N 2.300 122.631 120.400 -0.116 0.000 2.172 292 D HA -0.172 4.468 4.640 -0.000 0.000 0.196 292 D C 1.921 178.102 176.300 -0.200 0.000 0.999 292 D CA 1.197 55.123 54.000 -0.123 0.000 0.856 292 D CB -0.061 40.671 40.800 -0.114 0.000 0.934 292 D HN 0.711 nan 8.370 nan 0.000 0.453 293 I N -2.932 117.422 120.570 -0.360 0.000 2.700 293 I HA -0.167 4.003 4.170 -0.000 0.000 0.261 293 I C 1.028 176.853 176.117 -0.486 0.000 1.219 293 I CA 1.054 62.072 61.300 -0.469 0.000 1.463 293 I CB -0.398 37.215 38.000 -0.646 0.000 1.092 293 I HN -0.212 nan 8.210 nan 0.000 0.452 294 F N 1.444 121.260 119.950 -0.223 0.000 2.695 294 F HA 0.290 4.817 4.527 -0.000 0.000 0.303 294 F C 1.372 176.918 175.800 -0.422 0.000 1.091 294 F CA -0.895 56.815 58.000 -0.483 0.000 1.300 294 F CB -0.823 37.750 39.000 -0.711 0.000 1.071 294 F HN 0.169 nan 8.300 nan 0.000 0.578 295 Q N 0.614 120.359 119.800 -0.092 0.000 2.283 295 Q HA 0.286 4.626 4.340 -0.000 0.000 0.301 295 Q C 1.392 177.346 176.000 -0.076 0.000 1.063 295 Q CA 1.271 57.037 55.803 -0.061 0.000 0.952 295 Q CB 0.355 29.063 28.738 -0.050 0.000 1.166 295 Q HN 0.625 nan 8.270 nan 0.000 0.381 296 G N 3.195 111.966 108.800 -0.048 0.000 2.253 296 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.251 296 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.251 296 G C 0.084 174.955 174.900 -0.048 0.000 0.998 296 G CA 0.183 45.260 45.100 -0.039 0.000 0.621 296 G HN 0.584 nan 8.290 nan 0.000 0.524 297 L N 2.164 123.321 121.223 -0.110 0.000 2.456 297 L HA 0.501 4.841 4.340 -0.000 0.000 0.272 297 L C 1.369 178.258 176.870 0.031 0.000 1.189 297 L CA 0.582 55.364 54.840 -0.096 0.000 0.846 297 L CB 0.837 42.711 42.059 -0.309 0.000 1.111 297 L HN 0.486 nan 8.230 nan 0.000 0.475 298 T N -1.304 113.270 114.554 0.033 0.000 2.949 298 T HA 0.265 4.615 4.350 -0.000 0.000 0.287 298 T C 0.559 175.216 174.700 -0.072 0.000 1.034 298 T CA -0.790 61.316 62.100 0.009 0.000 1.018 298 T CB 1.632 70.491 68.868 -0.015 0.000 1.135 298 T HN 0.597 nan 8.240 nan 0.000 0.532 299 Q N -0.135 119.545 119.800 -0.201 0.000 2.119 299 Q HA -0.107 4.233 4.340 -0.000 0.000 0.201 299 Q C 1.464 177.316 176.000 -0.247 0.000 0.972 299 Q CA 1.544 57.060 55.803 -0.478 0.000 0.847 299 Q CB -0.102 28.343 28.738 -0.489 0.000 0.903 299 Q HN 0.664 nan 8.270 nan 0.000 0.433 300 D N 0.579 120.915 120.400 -0.107 0.000 2.178 300 D HA -0.152 4.488 4.640 -0.000 0.000 0.201 300 D C 1.508 177.795 176.300 -0.021 0.000 0.980 300 D CA 1.138 55.114 54.000 -0.039 0.000 0.842 300 D CB 0.003 40.793 40.800 -0.017 0.000 0.948 300 D HN 0.360 nan 8.370 nan 0.000 0.472 301 Q N -0.878 118.907 119.800 -0.026 0.000 2.389 301 Q HA 0.194 4.534 4.340 -0.000 0.000 0.204 301 Q C 1.123 177.133 176.000 0.017 0.000 0.944 301 Q CA 0.722 56.527 55.803 0.002 0.000 0.908 301 Q CB 0.717 29.459 28.738 0.008 0.000 1.002 301 Q HN 0.309 nan 8.270 nan 0.000 0.493 302 G N 0.563 109.355 108.800 -0.013 0.000 2.159 302 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.170 302 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.170 302 G C -0.539 174.387 174.900 0.044 0.000 1.007 302 G CA -0.518 44.604 45.100 0.038 0.000 0.672 302 G HN 0.277 nan 8.290 nan 0.000 0.507 303 F N 1.669 121.487 119.950 -0.220 0.000 2.421 303 F HA 0.815 5.342 4.527 -0.000 0.000 0.337 303 F C -0.477 175.126 175.800 -0.328 0.000 1.105 303 F CA -1.408 56.467 58.000 -0.209 0.000 1.049 303 F CB 0.927 39.809 39.000 -0.196 0.000 1.139 303 F HN 0.050 nan 8.300 nan 0.000 0.479 304 Y N 1.672 121.252 120.300 -1.199 0.000 2.562 304 Y HA 0.480 5.030 4.550 -0.000 0.000 0.345 304 Y C 0.072 175.346 175.900 -1.042 0.000 1.045 304 Y CA -1.117 56.495 58.100 -0.814 0.000 1.028 304 Y CB 1.947 40.169 38.460 -0.396 0.000 1.297 304 Y HN 0.657 nan 8.280 nan 0.000 0.463 305 T N -2.892 111.460 114.554 -0.336 0.000 2.944 305 T HA 0.308 4.658 4.350 -0.000 0.000 0.284 305 T C 1.052 175.716 174.700 -0.061 0.000 1.010 305 T CA -0.106 61.870 62.100 -0.206 0.000 1.025 305 T CB 1.443 70.311 68.868 0.002 0.000 1.079 305 T HN 0.733 nan 8.240 nan 0.000 0.516 306 S N 0.742 116.416 115.700 -0.044 0.000 2.400 306 S HA -0.127 4.343 4.470 -0.000 0.000 0.232 306 S C 1.700 176.339 174.600 0.065 0.000 1.025 306 S CA 0.439 58.658 58.200 0.031 0.000 0.993 306 S CB -0.548 62.658 63.200 0.010 0.000 0.808 306 S HN 0.667 nan 8.310 nan 0.000 0.478 307 K N 1.128 121.562 120.400 0.057 0.000 2.283 307 K HA -0.006 4.314 4.320 -0.000 0.000 0.202 307 K C 1.064 177.710 176.600 0.076 0.000 1.048 307 K CA 1.110 57.435 56.287 0.064 0.000 0.948 307 K CB -0.264 32.278 32.500 0.071 0.000 0.742 307 K HN 0.562 nan 8.250 nan 0.000 0.458 308 D N -0.368 120.096 120.400 0.107 0.000 2.269 308 D HA -0.066 4.574 4.640 -0.000 0.000 0.220 308 D C 1.725 178.139 176.300 0.190 0.000 0.962 308 D CA 0.383 54.474 54.000 0.151 0.000 0.884 308 D CB -0.349 40.565 40.800 0.190 0.000 1.023 308 D HN 0.015 nan 8.370 nan 0.000 0.484 309 F N 2.207 122.171 119.950 0.023 0.000 2.031 309 F HA -0.086 4.441 4.527 -0.000 0.000 0.295 309 F C 2.242 177.975 175.800 -0.112 0.000 1.133 309 F CA 1.193 59.118 58.000 -0.124 0.000 1.188 309 F CB -0.607 38.213 39.000 -0.300 0.000 0.974 309 F HN -0.180 nan 8.300 nan 0.000 0.473 310 L N 0.097 121.180 121.223 -0.233 0.000 2.042 310 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 310 L C -0.469 176.220 176.870 -0.303 0.000 1.076 310 L CA 1.589 56.230 54.840 -0.333 0.000 0.749 310 L CB -2.115 39.868 42.059 -0.127 0.000 0.893 310 L HN 0.150 nan 8.230 nan 0.000 0.432 311 P HA -0.150 nan 4.420 nan 0.000 0.218 311 P C 1.916 179.087 177.300 -0.215 0.000 1.149 311 P CA 1.206 64.193 63.100 -0.188 0.000 0.817 311 P CB 0.114 31.767 31.700 -0.078 0.000 0.785 312 L N -1.317 119.788 121.223 -0.197 0.000 2.056 312 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 312 L C 2.252 178.976 176.870 -0.244 0.000 1.078 312 L CA 1.351 56.094 54.840 -0.162 0.000 0.749 312 L CB -0.948 41.060 42.059 -0.086 0.000 0.901 312 L HN -0.119 nan 8.230 nan 0.000 0.433 313 V N -0.152 119.528 119.914 -0.390 0.000 2.358 313 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 313 V C 2.716 178.604 176.094 -0.342 0.000 1.047 313 V CA 1.636 63.732 62.300 -0.340 0.000 1.035 313 V CB -0.882 30.690 31.823 -0.418 0.000 0.658 313 V HN 0.458 nan 8.190 nan 0.000 0.452 314 A N 0.096 122.698 122.820 -0.363 0.000 1.877 314 A HA -0.242 4.078 4.320 -0.000 0.000 0.216 314 A C 2.286 179.578 177.584 -0.485 0.000 1.186 314 A CA 1.993 53.785 52.037 -0.407 0.000 0.620 314 A CB -0.467 18.305 19.000 -0.379 0.000 0.822 314 A HN 0.534 nan 8.150 nan 0.000 0.443 315 K N -0.185 119.950 120.400 -0.441 0.000 2.152 315 K HA -0.073 4.247 4.320 -0.000 0.000 0.206 315 K C 2.196 178.304 176.600 -0.819 0.000 1.048 315 K CA 1.464 57.445 56.287 -0.509 0.000 0.933 315 K CB -0.151 32.194 32.500 -0.259 0.000 0.721 315 K HN 0.405 nan 8.250 nan 0.000 0.447 316 S N 0.259 115.642 115.700 -0.529 0.000 2.425 316 S HA -0.049 4.421 4.470 -0.000 0.000 0.225 316 S C 1.864 176.167 174.600 -0.495 0.000 1.024 316 S CA 1.177 59.131 58.200 -0.409 0.000 0.951 316 S CB 0.155 63.298 63.200 -0.094 0.000 0.796 316 S HN 0.409 nan 8.310 nan 0.000 0.498 317 S N 0.414 115.733 115.700 -0.635 0.000 2.524 317 S HA 0.274 4.744 4.470 -0.000 0.000 0.215 317 S C 0.273 174.525 174.600 -0.581 0.000 0.986 317 S CA -0.306 57.403 58.200 -0.818 0.000 0.911 317 S CB -0.009 62.186 63.200 -1.675 0.000 0.805 317 S HN 0.186 nan 8.310 nan 0.000 0.501 318 K N 2.530 122.607 120.400 -0.538 0.000 2.414 318 K HA 0.579 4.899 4.320 -0.000 0.000 0.251 318 K C -0.684 175.635 176.600 -0.468 0.000 1.037 318 K CA -0.328 55.695 56.287 -0.439 0.000 0.980 318 K CB 1.388 33.589 32.500 -0.498 0.000 1.280 318 K HN 0.311 nan 8.250 nan 0.000 0.451 319 A N 1.707 124.358 122.820 -0.281 0.000 2.522 319 A HA 0.413 4.733 4.320 -0.000 0.000 0.256 319 A C 1.257 178.685 177.584 -0.260 0.000 1.086 319 A CA 0.946 52.838 52.037 -0.243 0.000 0.763 319 A CB -0.393 18.567 19.000 -0.067 0.000 1.024 319 A HN 0.981 nan 8.150 nan 0.000 0.502 320 G N 1.659 110.182 108.800 -0.461 0.000 2.179 320 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.220 320 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.220 320 G C 0.794 175.377 174.900 -0.528 0.000 0.990 320 G CA 0.602 45.495 45.100 -0.345 0.000 0.646 320 G HN 0.821 nan 8.290 nan 0.000 0.517 321 M N -0.433 118.675 119.600 -0.819 0.000 2.398 321 M HA 0.378 4.858 4.480 -0.000 0.000 0.261 321 M C 0.805 176.853 176.300 -0.419 0.000 1.125 321 M CA 1.554 56.344 55.300 -0.849 0.000 1.183 321 M CB 0.480 32.494 32.600 -0.976 0.000 1.322 321 M HN 0.546 nan 8.290 nan 0.000 0.467 322 C N 1.339 120.410 119.300 -0.381 0.000 2.789 322 C HA 0.652 5.112 4.460 -0.000 0.000 0.324 322 C C 1.496 176.467 174.990 -0.032 0.000 1.042 322 C CA -0.599 58.329 59.018 -0.150 0.000 1.396 322 C CB -0.137 27.542 27.740 -0.102 0.000 1.870 322 C HN 0.691 nan 8.230 nan 0.000 0.470 323 A N 2.960 125.740 122.820 -0.067 0.000 1.896 323 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 323 A C 1.357 179.077 177.584 0.226 0.000 1.206 323 A CA 2.212 54.289 52.037 0.066 0.000 0.647 323 A CB -0.647 18.502 19.000 0.249 0.000 0.828 323 A HN 1.073 nan 8.150 nan 0.000 0.455 324 C N 2.326 121.709 119.300 0.138 0.000 2.206 324 C HA 0.610 5.070 4.460 -0.000 0.000 0.324 324 C C -0.437 174.577 174.990 0.041 0.000 1.120 324 C CA -0.804 58.238 59.018 0.041 0.000 1.546 324 C CB -1.419 26.346 27.740 0.042 0.000 2.023 324 C HN 0.600 nan 8.230 nan 0.000 0.448 325 H N 2.627 121.693 119.070 -0.005 0.000 2.637 325 H HA 0.506 5.062 4.556 -0.000 0.000 0.363 325 H C -0.174 175.146 175.328 -0.014 0.000 1.131 325 H CA -0.606 55.424 56.048 -0.030 0.000 1.183 325 H CB 1.151 30.863 29.762 -0.083 0.000 1.637 325 H HN 0.427 nan 8.280 nan 0.000 0.531 326 S N 2.350 118.079 115.700 0.048 0.000 2.580 326 S HA 0.121 4.591 4.470 -0.000 0.000 0.266 326 S C -1.953 172.680 174.600 0.055 0.000 1.354 326 S CA -0.580 57.634 58.200 0.023 0.000 1.008 326 S CB 0.111 63.340 63.200 0.048 0.000 0.898 326 S HN 0.566 nan 8.310 nan 0.000 0.555 327 P HA 0.036 nan 4.420 nan 0.000 0.270 327 P C -0.549 176.799 177.300 0.080 0.000 1.221 327 P CA -0.479 62.656 63.100 0.058 0.000 0.788 327 P CB 0.307 32.035 31.700 0.045 0.000 0.904 328 L N 3.877 125.151 121.223 0.085 0.000 2.559 328 L HA 0.130 4.470 4.340 -0.000 0.000 0.274 328 L C -2.062 174.859 176.870 0.084 0.000 1.205 328 L CA -1.196 53.691 54.840 0.080 0.000 0.907 328 L CB -0.966 41.163 42.059 0.116 0.000 1.153 328 L HN 0.316 nan 8.230 nan 0.000 0.490 329 P HA -0.078 nan 4.420 nan 0.000 0.261 329 P C -0.779 176.596 177.300 0.125 0.000 1.165 329 P CA 0.332 63.505 63.100 0.122 0.000 0.759 329 P CB 0.369 32.148 31.700 0.131 0.000 0.772 330 S N 4.534 120.309 115.700 0.126 0.000 2.701 330 S HA 0.244 4.714 4.470 -0.000 0.000 0.317 330 S C 0.002 174.663 174.600 0.102 0.000 1.149 330 S CA -0.555 57.706 58.200 0.101 0.000 1.052 330 S CB -1.174 62.078 63.200 0.087 0.000 1.257 330 S HN 0.209 nan 8.310 nan 0.000 0.532 331 I N 6.254 126.873 120.570 0.081 0.000 2.330 331 I HA 0.429 4.599 4.170 -0.000 0.000 0.286 331 I C 0.360 176.494 176.117 0.028 0.000 1.025 331 I CA -0.441 60.887 61.300 0.047 0.000 1.197 331 I CB 0.924 38.926 38.000 0.003 0.000 1.358 331 I HN 0.425 nan 8.210 nan 0.000 0.467 332 R N 3.966 124.484 120.500 0.031 0.000 2.740 332 R HA 0.781 5.121 4.340 -0.000 0.000 0.282 332 R C 0.171 176.483 176.300 0.021 0.000 0.969 332 R CA -0.571 55.543 56.100 0.023 0.000 0.918 332 R CB 2.425 32.743 30.300 0.031 0.000 1.175 332 R HN 0.834 nan 8.270 nan 0.000 0.464 333 G N 0.837 109.646 108.800 0.016 0.000 2.482 333 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.214 333 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.214 333 G C -1.092 173.820 174.900 0.021 0.000 1.271 333 G CA -0.409 44.706 45.100 0.025 0.000 0.944 333 G HN 0.784 nan 8.290 nan 0.000 0.568 334 A N -0.880 121.972 122.820 0.055 0.000 2.331 334 A HA 0.734 5.054 4.320 -0.000 0.000 0.283 334 A C 0.130 177.759 177.584 0.074 0.000 1.142 334 A CA 0.230 52.324 52.037 0.094 0.000 0.812 334 A CB 1.195 20.333 19.000 0.229 0.000 1.074 334 A HN 1.829 nan 8.150 nan 0.000 0.497 335 V N 3.675 123.614 119.914 0.042 0.000 2.555 335 V HA 0.412 4.532 4.120 -0.000 0.000 0.302 335 V C -0.249 175.870 176.094 0.041 0.000 1.038 335 V CA -0.276 62.011 62.300 -0.021 0.000 0.887 335 V CB 1.582 33.320 31.823 -0.141 0.000 0.991 335 V HN 0.751 nan 8.190 nan 0.000 0.434 336 I N 4.426 124.997 120.570 0.002 0.000 2.362 336 I HA 0.469 4.639 4.170 -0.000 0.000 0.289 336 I C -0.750 175.297 176.117 -0.115 0.000 0.994 336 I CA -0.704 60.602 61.300 0.011 0.000 1.158 336 I CB 1.966 40.009 38.000 0.072 0.000 1.315 336 I HN 0.279 nan 8.210 nan 0.000 0.451 337 V N 7.544 127.356 119.914 -0.169 0.000 2.384 337 V HA 0.396 4.516 4.120 -0.000 0.000 0.287 337 V C -0.013 175.943 176.094 -0.230 0.000 1.020 337 V CA -0.579 61.571 62.300 -0.249 0.000 0.850 337 V CB 1.738 33.386 31.823 -0.292 0.000 0.987 337 V HN 0.468 nan 8.190 nan 0.000 0.436 338 L N 5.227 126.294 121.223 -0.261 0.000 2.265 338 L HA 0.921 5.261 4.340 -0.000 0.000 0.289 338 L C 0.639 177.309 176.870 -0.333 0.000 1.033 338 L CA 0.003 54.702 54.840 -0.236 0.000 0.814 338 L CB 1.066 42.971 42.059 -0.256 0.000 1.203 338 L HN 0.893 nan 8.230 nan 0.000 0.423 339 G N 2.099 110.867 108.800 -0.053 0.000 2.345 339 G HA2 0.365 4.325 3.960 -0.000 0.000 0.310 339 G HA3 0.365 4.325 3.960 -0.000 0.000 0.310 339 G C -0.763 174.215 174.900 0.130 0.000 1.476 339 G CA -0.059 45.063 45.100 0.037 0.000 0.978 339 G HN 0.609 nan 8.290 nan 0.000 0.656 340 A N -0.615 122.261 122.820 0.094 0.000 2.635 340 A HA 0.787 5.107 4.320 -0.000 0.000 0.279 340 A C 0.983 178.684 177.584 0.194 0.000 1.122 340 A CA 1.289 53.341 52.037 0.024 0.000 0.965 340 A CB 0.075 18.901 19.000 -0.289 0.000 1.221 340 A HN 2.047 nan 8.150 nan 0.000 0.566 341 G N -1.069 107.849 108.800 0.196 0.000 2.753 341 G HA2 0.431 4.391 3.960 -0.000 0.000 0.285 341 G HA3 0.431 4.391 3.960 -0.000 0.000 0.285 341 G C -0.041 175.046 174.900 0.312 0.000 1.344 341 G CA -0.040 45.173 45.100 0.189 0.000 1.050 341 G HN -0.037 nan 8.290 nan 0.000 0.532 342 D N -0.320 120.187 120.400 0.179 0.000 2.149 342 D HA -0.114 4.526 4.640 -0.000 0.000 0.198 342 D C 2.609 179.026 176.300 0.195 0.000 0.990 342 D CA 1.793 55.902 54.000 0.181 0.000 0.839 342 D CB -0.378 40.471 40.800 0.083 0.000 0.948 342 D HN 0.315 nan 8.370 nan 0.000 0.460 343 T N 0.833 115.464 114.554 0.128 0.000 2.684 343 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 343 T C 2.048 176.787 174.700 0.065 0.000 1.036 343 T CA 1.783 63.932 62.100 0.082 0.000 1.148 343 T CB -0.353 68.545 68.868 0.050 0.000 0.863 343 T HN 0.239 nan 8.240 nan 0.000 0.436 344 A N 0.857 123.703 122.820 0.043 0.000 1.877 344 A HA 0.008 4.328 4.320 -0.000 0.000 0.216 344 A C 2.002 179.498 177.584 -0.147 0.000 1.186 344 A CA 1.356 53.332 52.037 -0.102 0.000 0.620 344 A CB -1.020 17.872 19.000 -0.179 0.000 0.822 344 A HN 0.476 nan 8.150 nan 0.000 0.443 345 F N 0.524 120.500 119.950 0.043 0.000 2.234 345 F HA -0.129 4.398 4.527 -0.000 0.000 0.299 345 F C 1.997 177.847 175.800 0.083 0.000 1.087 345 F CA 1.508 59.544 58.000 0.060 0.000 1.340 345 F CB -0.239 38.813 39.000 0.087 0.000 1.031 345 F HN 0.193 nan 8.300 nan 0.000 0.500 346 D N -0.828 119.717 120.400 0.242 0.000 2.183 346 D HA -0.107 4.533 4.640 -0.000 0.000 0.203 346 D C 2.318 178.737 176.300 0.198 0.000 0.969 346 D CA 0.903 55.031 54.000 0.213 0.000 0.842 346 D CB -0.552 40.323 40.800 0.125 0.000 0.957 346 D HN 0.250 nan 8.370 nan 0.000 0.484 347 C N 0.926 120.308 119.300 0.136 0.000 2.446 347 C HA 0.026 4.486 4.460 -0.000 0.000 0.277 347 C C 2.867 177.917 174.990 0.100 0.000 1.275 347 C CA 0.694 59.818 59.018 0.177 0.000 1.727 347 C CB -0.845 26.906 27.740 0.017 0.000 2.010 347 C HN 0.353 nan 8.230 nan 0.000 0.486 348 A N 1.359 124.168 122.820 -0.018 0.000 1.858 348 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 348 A C 2.306 179.886 177.584 -0.008 0.000 1.190 348 A CA 2.816 54.798 52.037 -0.091 0.000 0.617 348 A CB -1.342 17.538 19.000 -0.200 0.000 0.827 348 A HN 0.658 nan 8.150 nan 0.000 0.443 349 T N -2.586 112.016 114.554 0.081 0.000 2.788 349 T HA -0.106 4.244 4.350 -0.000 0.000 0.268 349 T C 1.988 176.756 174.700 0.114 0.000 1.044 349 T CA 1.808 63.940 62.100 0.054 0.000 1.139 349 T CB -0.614 68.314 68.868 0.100 0.000 0.867 349 T HN 0.280 nan 8.240 nan 0.000 0.454 350 S N 1.944 117.838 115.700 0.323 0.000 2.383 350 S HA 0.143 4.613 4.470 -0.000 0.000 0.227 350 S C 2.634 177.397 174.600 0.272 0.000 1.026 350 S CA 0.832 59.242 58.200 0.350 0.000 0.981 350 S CB -0.795 62.571 63.200 0.278 0.000 0.818 350 S HN 0.763 nan 8.310 nan 0.000 0.472 351 A N 1.633 124.613 122.820 0.267 0.000 1.940 351 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 351 A C 2.066 179.676 177.584 0.042 0.000 1.176 351 A CA 1.143 53.274 52.037 0.157 0.000 0.631 351 A CB -0.737 18.213 19.000 -0.083 0.000 0.814 351 A HN 0.468 nan 8.150 nan 0.000 0.446 352 L N -1.543 119.668 121.223 -0.020 0.000 2.083 352 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 352 L C 2.698 179.514 176.870 -0.090 0.000 1.083 352 L CA 1.285 56.078 54.840 -0.077 0.000 0.752 352 L CB -0.376 41.608 42.059 -0.127 0.000 0.899 352 L HN 0.219 nan 8.230 nan 0.000 0.433 353 R N -0.814 119.621 120.500 -0.108 0.000 2.189 353 R HA -0.057 4.283 4.340 -0.000 0.000 0.223 353 R C 1.966 178.253 176.300 -0.022 0.000 1.092 353 R CA 0.844 56.833 56.100 -0.185 0.000 0.989 353 R CB -0.829 29.221 30.300 -0.416 0.000 0.876 353 R HN 0.337 nan 8.270 nan 0.000 0.457 354 C N -1.056 118.276 119.300 0.054 0.000 2.626 354 C HA 0.399 4.859 4.460 -0.000 0.000 0.266 354 C C 1.419 176.441 174.990 0.053 0.000 1.317 354 C CA 0.410 59.483 59.018 0.092 0.000 1.716 354 C CB -0.690 27.143 27.740 0.156 0.000 1.819 354 C HN 0.712 nan 8.230 nan 0.000 0.578 355 G N 0.337 109.146 108.800 0.015 0.000 2.148 355 G HA2 0.009 3.969 3.960 -0.000 0.000 0.203 355 G HA3 0.009 3.969 3.960 -0.000 0.000 0.203 355 G C 0.145 175.041 174.900 -0.007 0.000 0.993 355 G CA 0.035 45.137 45.100 0.005 0.000 0.661 355 G HN 0.865 nan 8.290 nan 0.000 0.518 356 A N 0.234 123.042 122.820 -0.020 0.000 2.540 356 A HA 0.579 4.899 4.320 -0.000 0.000 0.239 356 A C 1.412 178.968 177.584 -0.047 0.000 1.061 356 A CA 1.295 53.308 52.037 -0.040 0.000 0.758 356 A CB 0.206 19.164 19.000 -0.069 0.000 0.991 356 A HN 0.758 nan 8.150 nan 0.000 0.502 357 R N 1.262 121.739 120.500 -0.038 0.000 2.093 357 R HA 0.057 4.397 4.340 -0.000 0.000 0.224 357 R C 0.733 176.988 176.300 -0.075 0.000 1.101 357 R CA 1.178 57.257 56.100 -0.035 0.000 0.979 357 R CB 0.111 30.405 30.300 -0.010 0.000 0.877 357 R HN 0.776 nan 8.270 nan 0.000 0.441 358 R N -0.179 120.252 120.500 -0.115 0.000 2.604 358 R HA 0.336 4.676 4.340 -0.000 0.000 0.270 358 R C -2.012 174.105 176.300 -0.304 0.000 1.052 358 R CA -0.654 55.303 56.100 -0.238 0.000 0.902 358 R CB 2.409 32.549 30.300 -0.267 0.000 1.233 358 R HN -0.009 nan 8.270 nan 0.000 0.455 359 V N 4.184 123.835 119.914 -0.437 0.000 2.588 359 V HA 0.566 4.686 4.120 -0.000 0.000 0.304 359 V C -1.110 174.642 176.094 -0.571 0.000 1.042 359 V CA -0.646 61.420 62.300 -0.389 0.000 0.877 359 V CB 1.694 33.349 31.823 -0.280 0.000 0.996 359 V HN 0.553 nan 8.190 nan 0.000 0.425 360 F N 4.301 124.103 119.950 -0.247 0.000 2.444 360 F HA 0.619 5.146 4.527 -0.000 0.000 0.342 360 F C -0.040 175.501 175.800 -0.432 0.000 1.121 360 F CA -0.609 57.202 58.000 -0.314 0.000 0.997 360 F CB 1.651 40.507 39.000 -0.241 0.000 1.130 360 F HN 0.193 nan 8.300 nan 0.000 0.454 361 L N 4.597 125.540 121.223 -0.467 0.000 2.262 361 L HA 0.531 4.871 4.340 -0.000 0.000 0.288 361 L C -0.847 175.508 176.870 -0.858 0.000 1.035 361 L CA -0.747 53.684 54.840 -0.682 0.000 0.820 361 L CB 1.202 42.675 42.059 -0.978 0.000 1.204 361 L HN 0.332 nan 8.230 nan 0.000 0.424 362 V N 4.210 123.765 119.914 -0.599 0.000 2.370 362 V HA 0.414 4.534 4.120 -0.000 0.000 0.283 362 V C -0.298 175.591 176.094 -0.341 0.000 1.023 362 V CA -0.470 61.494 62.300 -0.560 0.000 0.857 362 V CB 1.135 32.742 31.823 -0.360 0.000 0.985 362 V HN 0.317 nan 8.190 nan 0.000 0.443 363 F N 3.225 123.070 119.950 -0.175 0.000 2.458 363 F HA 0.583 5.110 4.527 -0.000 0.000 0.330 363 F C 1.186 176.887 175.800 -0.164 0.000 1.082 363 F CA -1.446 56.450 58.000 -0.172 0.000 0.995 363 F CB 1.318 40.161 39.000 -0.261 0.000 1.170 363 F HN 0.394 nan 8.300 nan 0.000 0.478 364 R N 1.032 121.561 120.500 0.048 0.000 2.153 364 R HA 0.057 4.397 4.340 -0.000 0.000 0.218 364 R C 0.205 176.329 176.300 -0.294 0.000 1.072 364 R CA 1.109 57.169 56.100 -0.068 0.000 0.990 364 R CB 0.242 30.479 30.300 -0.106 0.000 0.889 364 R HN 0.678 nan 8.270 nan 0.000 0.452 365 K N -1.123 119.001 120.400 -0.460 0.000 2.512 365 K HA 0.394 4.714 4.320 -0.000 0.000 0.272 365 K C 0.173 176.301 176.600 -0.787 0.000 1.033 365 K CA -0.554 55.274 56.287 -0.765 0.000 1.096 365 K CB 0.498 32.508 32.500 -0.817 0.000 1.498 365 K HN 0.086 nan 8.250 nan 0.000 0.629 366 G N -0.266 108.154 108.800 -0.634 0.000 2.531 366 G HA2 0.243 4.203 3.960 -0.000 0.000 0.313 366 G HA3 0.243 4.203 3.960 -0.000 0.000 0.313 366 G C 0.068 174.877 174.900 -0.152 0.000 1.238 366 G CA -0.445 44.287 45.100 -0.613 0.000 0.994 366 G HN 0.393 nan 8.290 nan 0.000 0.493 367 F N -0.570 119.372 119.950 -0.014 0.000 2.126 367 F HA -0.136 4.391 4.527 0.000 0.000 0.299 367 F C 2.916 178.693 175.800 -0.039 0.000 1.096 367 F CA 1.286 59.302 58.000 0.027 0.000 1.255 367 F CB -0.161 38.885 39.000 0.076 0.000 0.997 367 F HN 0.096 nan 8.300 nan 0.000 0.479 368 V N -0.157 119.883 119.914 0.210 0.000 2.594 368 V HA -0.288 3.832 4.120 -0.000 0.000 0.253 368 V C 1.118 177.240 176.094 0.047 0.000 1.069 368 V CA 2.024 64.400 62.300 0.126 0.000 1.082 368 V CB -0.942 30.973 31.823 0.154 0.000 0.680 368 V HN 0.370 nan 8.190 nan 0.000 0.469 369 N N -0.451 118.248 118.700 -0.003 0.000 2.398 369 N HA 0.218 4.958 4.740 -0.000 0.000 0.188 369 N C 0.321 175.730 175.510 -0.168 0.000 1.122 369 N CA -0.004 53.011 53.050 -0.059 0.000 0.866 369 N CB -0.102 38.347 38.487 -0.063 0.000 0.970 369 N HN 0.416 nan 8.380 nan 0.000 0.462 370 I N 1.315 121.745 120.570 -0.233 0.000 2.826 370 I HA -0.136 4.034 4.170 -0.000 0.000 0.295 370 I C 1.447 177.472 176.117 -0.153 0.000 1.213 370 I CA 0.373 61.499 61.300 -0.291 0.000 1.436 370 I CB 0.706 38.549 38.000 -0.261 0.000 1.348 370 I HN 0.180 nan 8.210 nan 0.000 0.570 371 R N 4.366 124.798 120.500 -0.114 0.000 2.100 371 R HA 0.126 4.465 4.340 -0.000 0.000 0.220 371 R C 0.822 177.079 176.300 -0.072 0.000 1.091 371 R CA 0.456 56.515 56.100 -0.068 0.000 0.986 371 R CB -0.018 30.262 30.300 -0.034 0.000 0.888 371 R HN 0.766 nan 8.270 nan 0.000 0.444 372 A N 1.522 124.285 122.820 -0.094 0.000 2.425 372 A HA 0.272 4.592 4.320 -0.000 0.000 0.242 372 A C 0.652 178.112 177.584 -0.207 0.000 1.077 372 A CA -0.421 51.512 52.037 -0.173 0.000 0.781 372 A CB 0.260 19.043 19.000 -0.362 0.000 1.020 372 A HN 0.127 nan 8.150 nan 0.000 0.494 373 V N -0.180 119.635 119.914 -0.165 0.000 3.096 373 V HA 0.188 4.308 4.120 -0.000 0.000 0.306 373 V C -1.725 174.262 176.094 -0.178 0.000 1.088 373 V CA -0.920 61.298 62.300 -0.137 0.000 1.129 373 V CB -0.132 31.634 31.823 -0.094 0.000 1.014 373 V HN 0.729 nan 8.190 nan 0.000 0.486 374 P HA -0.134 nan 4.420 nan 0.000 0.216 374 P C 1.406 178.622 177.300 -0.139 0.000 1.150 374 P CA 1.582 64.607 63.100 -0.125 0.000 0.843 374 P CB 0.171 31.827 31.700 -0.074 0.000 0.787 375 E N -0.683 119.442 120.200 -0.125 0.000 2.110 375 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 375 E C 1.984 178.493 176.600 -0.151 0.000 0.988 375 E CA 1.207 57.526 56.400 -0.135 0.000 0.804 375 E CB -0.645 28.998 29.700 -0.095 0.000 0.745 375 E HN 0.318 nan 8.360 nan 0.000 0.458 376 E N 0.053 120.151 120.200 -0.169 0.000 2.046 376 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 376 E C 1.891 178.328 176.600 -0.272 0.000 0.982 376 E CA 1.006 57.297 56.400 -0.181 0.000 0.800 376 E CB -0.150 29.417 29.700 -0.221 0.000 0.756 376 E HN 0.076 nan 8.360 nan 0.000 0.449 377 V N 1.116 120.753 119.914 -0.462 0.000 2.392 377 V HA -0.253 3.867 4.120 -0.000 0.000 0.249 377 V C 2.414 178.517 176.094 0.015 0.000 1.059 377 V CA 2.123 64.177 62.300 -0.410 0.000 1.051 377 V CB -0.768 30.861 31.823 -0.324 0.000 0.658 377 V HN 0.354 nan 8.190 nan 0.000 0.455 378 E N 0.649 120.814 120.200 -0.059 0.000 2.118 378 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 378 E C 1.976 178.593 176.600 0.028 0.000 0.992 378 E CA 1.572 57.956 56.400 -0.028 0.000 0.804 378 E CB -0.431 29.185 29.700 -0.140 0.000 0.741 378 E HN 0.598 nan 8.360 nan 0.000 0.458 379 L N -0.306 120.929 121.223 0.020 0.000 2.046 379 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 379 L C 2.543 179.498 176.870 0.141 0.000 1.077 379 L CA 1.202 56.087 54.840 0.076 0.000 0.747 379 L CB -0.641 41.472 42.059 0.091 0.000 0.896 379 L HN 0.240 nan 8.230 nan 0.000 0.432 380 A N -0.041 122.933 122.820 0.256 0.000 1.929 380 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 380 A C 2.402 180.172 177.584 0.309 0.000 1.176 380 A CA 1.613 53.821 52.037 0.285 0.000 0.628 380 A CB -0.354 18.928 19.000 0.470 0.000 0.816 380 A HN 0.304 nan 8.150 nan 0.000 0.444 381 K N 0.481 121.140 120.400 0.430 0.000 2.057 381 K HA -0.217 4.103 4.320 -0.000 0.000 0.207 381 K C 2.006 178.726 176.600 0.200 0.000 1.049 381 K CA 1.739 58.259 56.287 0.388 0.000 0.931 381 K CB -0.223 32.417 32.500 0.234 0.000 0.714 381 K HN 0.738 nan 8.250 nan 0.000 0.440 382 E N 0.163 120.448 120.200 0.141 0.000 2.268 382 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 382 E C 0.624 177.260 176.600 0.061 0.000 0.995 382 E CA 1.062 57.519 56.400 0.095 0.000 0.836 382 E CB 0.004 29.773 29.700 0.116 0.000 0.763 382 E HN 0.423 nan 8.360 nan 0.000 0.491 383 E N 0.854 121.087 120.200 0.054 0.000 2.403 383 E HA 0.037 4.387 4.350 -0.000 0.000 0.188 383 E C -0.425 176.171 176.600 -0.006 0.000 1.056 383 E CA -0.197 56.203 56.400 -0.001 0.000 0.892 383 E CB 0.331 30.004 29.700 -0.046 0.000 1.049 383 E HN 0.092 nan 8.360 nan 0.000 0.465 384 K N -0.696 119.726 120.400 0.037 0.000 3.192 384 K HA -0.160 4.160 4.320 -0.000 0.000 0.278 384 K C -0.431 176.155 176.600 -0.023 0.000 1.164 384 K CA 0.313 56.616 56.287 0.026 0.000 0.816 384 K CB -3.226 29.265 32.500 -0.014 0.000 1.256 384 K HN 0.250 nan 8.250 nan 0.000 0.497 385 C N 1.202 120.489 119.300 -0.022 0.000 2.652 385 C HA 0.274 4.734 4.460 -0.000 0.000 0.412 385 C C 1.335 176.219 174.990 -0.177 0.000 1.294 385 C CA -0.446 58.446 59.018 -0.210 0.000 2.127 385 C CB 0.598 28.139 27.740 -0.332 0.000 2.691 385 C HN 0.325 nan 8.230 nan 0.000 0.615 386 E N 0.928 120.944 120.200 -0.307 0.000 2.216 386 E HA 0.534 4.884 4.350 -0.000 0.000 0.279 386 E C -1.343 175.152 176.600 -0.175 0.000 0.997 386 E CA -0.250 56.107 56.400 -0.073 0.000 0.817 386 E CB 0.360 29.996 29.700 -0.107 0.000 1.096 386 E HN 0.372 nan 8.360 nan 0.000 0.393 387 F N 4.215 124.167 119.950 0.003 0.000 2.415 387 F HA 0.397 4.924 4.527 -0.000 0.000 0.348 387 F C -0.259 175.419 175.800 -0.202 0.000 1.119 387 F CA -0.748 57.121 58.000 -0.218 0.000 1.069 387 F CB 0.792 39.736 39.000 -0.093 0.000 1.124 387 F HN 0.239 nan 8.300 nan 0.000 0.472 388 L N 6.282 127.298 121.223 -0.344 0.000 2.353 388 L HA 0.434 4.774 4.340 -0.000 0.000 0.270 388 L C -2.453 174.219 176.870 -0.330 0.000 1.003 388 L CA -1.880 52.825 54.840 -0.225 0.000 0.862 388 L CB 1.535 43.431 42.059 -0.273 0.000 1.221 388 L HN 0.331 nan 8.230 nan 0.000 0.430 389 P HA 0.279 nan 4.420 nan 0.000 0.278 389 P C -0.199 177.155 177.300 0.090 0.000 1.266 389 P CA -0.393 62.672 63.100 -0.058 0.000 0.807 389 P CB 0.779 32.495 31.700 0.026 0.000 1.094 390 F N -2.555 117.483 119.950 0.146 0.000 2.969 390 F HA -0.197 4.330 4.527 -0.000 0.000 0.273 390 F C -0.149 175.708 175.800 0.095 0.000 0.986 390 F CA 0.714 58.811 58.000 0.161 0.000 0.926 390 F CB -2.060 37.071 39.000 0.218 0.000 0.887 390 F HN 0.141 nan 8.300 nan 0.000 0.816 391 L N -0.059 121.245 121.223 0.136 0.000 2.431 391 L HA 0.639 4.979 4.340 -0.000 0.000 0.266 391 L C -0.021 176.973 176.870 0.207 0.000 0.978 391 L CA -0.750 54.151 54.840 0.103 0.000 0.822 391 L CB 2.356 44.291 42.059 -0.207 0.000 1.310 391 L HN 0.085 nan 8.230 nan 0.000 0.409 392 S N 3.254 119.140 115.700 0.309 0.000 2.519 392 S HA 0.633 5.103 4.470 -0.000 0.000 0.309 392 S C -2.655 172.143 174.600 0.329 0.000 1.100 392 S CA -1.492 56.878 58.200 0.283 0.000 1.059 392 S CB 1.736 65.027 63.200 0.151 0.000 1.008 392 S HN 0.208 nan 8.310 nan 0.000 0.478 393 P HA 0.317 nan 4.420 nan 0.000 0.268 393 P C 0.120 177.283 177.300 -0.229 0.000 1.204 393 P CA -0.201 62.788 63.100 -0.186 0.000 0.768 393 P CB 0.549 32.223 31.700 -0.043 0.000 0.842 394 R N 1.778 122.087 120.500 -0.318 0.000 2.444 394 R HA 0.290 4.630 4.340 -0.000 0.000 0.201 394 R C 0.145 176.297 176.300 -0.248 0.000 0.861 394 R CA 0.780 56.747 56.100 -0.222 0.000 1.034 394 R CB 0.481 30.708 30.300 -0.122 0.000 1.347 394 R HN 0.472 nan 8.270 nan 0.000 0.659 395 K N 0.158 120.392 120.400 -0.277 0.000 2.532 395 K HA 0.503 4.823 4.320 -0.000 0.000 0.265 395 K C -1.333 175.146 176.600 -0.202 0.000 0.948 395 K CA -0.695 55.464 56.287 -0.214 0.000 0.842 395 K CB 3.363 35.777 32.500 -0.144 0.000 1.392 395 K HN -0.275 nan 8.250 nan 0.000 0.436 396 V N 2.960 122.801 119.914 -0.122 0.000 2.487 396 V HA 0.458 4.578 4.120 -0.000 0.000 0.298 396 V C -0.459 175.600 176.094 -0.058 0.000 1.028 396 V CA -0.807 61.456 62.300 -0.063 0.000 0.860 396 V CB 1.510 33.354 31.823 0.036 0.000 0.991 396 V HN 0.594 nan 8.190 nan 0.000 0.427 397 I N 4.944 125.478 120.570 -0.060 0.000 2.336 397 I HA 0.495 4.665 4.170 -0.000 0.000 0.292 397 I C -0.591 175.521 176.117 -0.007 0.000 0.991 397 I CA -0.640 60.643 61.300 -0.029 0.000 1.227 397 I CB 1.740 39.729 38.000 -0.019 0.000 1.366 397 I HN 0.269 nan 8.210 nan 0.000 0.466 398 V N 6.845 126.758 119.914 -0.001 0.000 2.487 398 V HA 0.477 4.596 4.120 -0.000 0.000 0.298 398 V C -0.229 175.872 176.094 0.011 0.000 1.028 398 V CA -0.760 61.544 62.300 0.006 0.000 0.860 398 V CB 1.820 33.643 31.823 0.000 0.000 0.991 398 V HN 0.665 nan 8.190 nan 0.000 0.427 399 K N 2.339 122.749 120.400 0.017 0.000 2.468 399 K HA 0.610 4.930 4.320 -0.000 0.000 0.252 399 K C 0.607 177.218 176.600 0.017 0.000 0.932 399 K CA -0.324 55.974 56.287 0.018 0.000 0.794 399 K CB 2.083 34.597 32.500 0.024 0.000 1.241 399 K HN 0.993 nan 8.250 nan 0.000 0.428 400 G N 1.182 109.991 108.800 0.014 0.000 2.198 400 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.260 400 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.260 400 G C 0.735 175.643 174.900 0.013 0.000 1.025 400 G CA 0.838 45.946 45.100 0.014 0.000 0.769 400 G HN 1.238 nan 8.290 nan 0.000 0.507 401 G N -1.843 106.963 108.800 0.011 0.000 2.148 401 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.254 401 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.254 401 G C 0.245 175.152 174.900 0.013 0.000 0.981 401 G CA 1.117 46.223 45.100 0.010 0.000 0.670 401 G HN 1.212 nan 8.290 nan 0.000 0.528 402 R N -0.867 119.643 120.500 0.017 0.000 2.686 402 R HA 0.618 4.958 4.340 -0.000 0.000 0.283 402 R C 0.251 176.566 176.300 0.024 0.000 0.978 402 R CA -1.109 55.005 56.100 0.022 0.000 0.897 402 R CB 1.621 31.938 30.300 0.027 0.000 1.192 402 R HN 0.183 nan 8.270 nan 0.000 0.457 403 I N 2.317 122.905 120.570 0.029 0.000 2.692 403 I HA -0.076 4.094 4.170 -0.000 0.000 0.284 403 I C 1.359 177.494 176.117 0.029 0.000 1.159 403 I CA 0.285 61.602 61.300 0.028 0.000 1.423 403 I CB 0.904 38.928 38.000 0.041 0.000 1.380 403 I HN 0.559 nan 8.210 nan 0.000 0.580 404 V N 2.115 122.043 119.914 0.024 0.000 3.485 404 V HA 0.690 4.810 4.120 -0.000 0.000 0.280 404 V C 0.282 176.390 176.094 0.023 0.000 1.495 404 V CA 0.358 62.679 62.300 0.035 0.000 1.018 404 V CB 0.075 31.927 31.823 0.048 0.000 0.818 404 V HN 0.804 nan 8.190 nan 0.000 0.436 405 A N -0.461 122.342 122.820 -0.027 0.000 2.567 405 A HA 0.782 5.102 4.320 -0.000 0.000 0.291 405 A C -1.560 175.922 177.584 -0.171 0.000 1.048 405 A CA -0.205 51.757 52.037 -0.125 0.000 0.661 405 A CB 1.691 20.527 19.000 -0.274 0.000 1.288 405 A HN 0.674 nan 8.150 nan 0.000 0.424 406 V N 1.250 121.041 119.914 -0.205 0.000 2.577 406 V HA 0.530 4.650 4.120 -0.000 0.000 0.303 406 V C -0.200 175.672 176.094 -0.369 0.000 1.042 406 V CA -0.445 61.691 62.300 -0.273 0.000 0.872 406 V CB 1.691 33.369 31.823 -0.242 0.000 0.998 406 V HN 0.911 nan 8.190 nan 0.000 0.423 407 Q N 3.018 122.572 119.800 -0.411 0.000 2.257 407 Q HA 0.643 4.983 4.340 -0.000 0.000 0.255 407 Q C -1.725 174.069 176.000 -0.344 0.000 0.920 407 Q CA -0.292 55.369 55.803 -0.235 0.000 0.927 407 Q CB 1.225 29.884 28.738 -0.132 0.000 1.229 407 Q HN 0.621 nan 8.270 nan 0.000 0.433 408 F N 1.419 121.355 119.950 -0.022 0.000 2.639 408 F HA 0.628 5.155 4.527 -0.000 0.000 0.339 408 F C -0.091 175.722 175.800 0.021 0.000 1.071 408 F CA -0.917 57.085 58.000 0.004 0.000 0.994 408 F CB 1.401 40.407 39.000 0.010 0.000 1.341 408 F HN 0.325 nan 8.300 nan 0.000 0.498 409 V N -1.089 118.980 119.914 0.258 0.000 2.962 409 V HA 0.668 4.788 4.120 -0.000 0.000 0.313 409 V C -0.425 175.779 176.094 0.182 0.000 1.099 409 V CA -1.323 61.078 62.300 0.167 0.000 0.971 409 V CB 1.705 33.593 31.823 0.109 0.000 1.028 409 V HN 0.616 nan 8.190 nan 0.000 0.430 410 R N 2.103 122.694 120.500 0.152 0.000 2.679 410 R HA 0.469 4.809 4.340 -0.000 0.000 0.268 410 R C 0.291 176.714 176.300 0.205 0.000 1.044 410 R CA 0.514 56.715 56.100 0.168 0.000 1.105 410 R CB 0.843 31.213 30.300 0.117 0.000 0.989 410 R HN 1.128 nan 8.270 nan 0.000 0.447 411 T N -1.307 113.427 114.554 0.299 0.000 2.893 411 T HA 0.661 5.011 4.350 -0.000 0.000 0.291 411 T C -0.402 174.566 174.700 0.446 0.000 1.028 411 T CA -0.973 61.369 62.100 0.404 0.000 0.995 411 T CB 2.441 71.601 68.868 0.487 0.000 1.051 411 T HN 0.661 nan 8.240 nan 0.000 0.470 412 E N 1.146 121.568 120.200 0.371 0.000 2.429 412 E HA 0.401 4.751 4.350 -0.000 0.000 0.280 412 E C -1.602 174.907 176.600 -0.153 0.000 1.068 412 E CA -1.185 55.266 56.400 0.084 0.000 0.837 412 E CB 1.385 31.056 29.700 -0.047 0.000 1.357 412 E HN 0.619 nan 8.360 nan 0.000 0.455 413 Q N 1.335 120.893 119.800 -0.403 0.000 2.333 413 Q HA 0.194 4.534 4.340 -0.000 0.000 0.265 413 Q C -0.737 175.104 176.000 -0.264 0.000 0.989 413 Q CA -0.715 54.778 55.803 -0.517 0.000 0.842 413 Q CB 1.531 29.832 28.738 -0.728 0.000 1.262 413 Q HN 0.578 nan 8.270 nan 0.000 0.451 414 D N 1.726 122.015 120.400 -0.185 0.000 1.976 414 D HA -0.088 4.552 4.640 -0.000 0.000 0.285 414 D C -0.118 176.112 176.300 -0.117 0.000 1.092 414 D CA 0.271 54.201 54.000 -0.115 0.000 0.993 414 D CB 0.306 41.063 40.800 -0.072 0.000 1.167 414 D HN 0.444 nan 8.370 nan 0.000 0.454 415 E N -1.599 118.553 120.200 -0.080 0.000 3.388 415 E HA 0.312 4.662 4.350 -0.000 0.000 0.214 415 E C -0.643 175.924 176.600 -0.054 0.000 1.040 415 E CA -0.232 56.127 56.400 -0.067 0.000 1.327 415 E CB 0.304 29.975 29.700 -0.047 0.000 1.243 415 E HN 0.519 nan 8.360 nan 0.000 0.444 416 T N -3.511 111.004 114.554 -0.066 0.000 4.143 416 T HA 0.283 4.633 4.350 -0.000 0.000 0.306 416 T C 1.135 175.807 174.700 -0.047 0.000 0.925 416 T CA -0.164 61.911 62.100 -0.043 0.000 1.014 416 T CB 0.418 69.271 68.868 -0.025 0.000 1.115 416 T HN 0.262 nan 8.240 nan 0.000 0.464 417 G N 2.039 110.790 108.800 -0.081 0.000 2.205 417 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.269 417 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.269 417 G C 0.102 174.943 174.900 -0.098 0.000 0.977 417 G CA 0.871 45.923 45.100 -0.080 0.000 0.652 417 G HN 0.909 nan 8.290 nan 0.000 0.539 418 K N 0.086 120.429 120.400 -0.096 0.000 2.349 418 K HA 0.324 4.644 4.320 -0.000 0.000 0.288 418 K C -0.376 176.159 176.600 -0.108 0.000 1.058 418 K CA -0.865 55.400 56.287 -0.036 0.000 0.953 418 K CB 0.146 32.644 32.500 -0.004 0.000 0.997 418 K HN 0.206 nan 8.250 nan 0.000 0.477 419 W N 4.463 125.797 121.300 0.057 0.000 2.335 419 W HA 0.202 4.862 4.660 -0.000 0.000 0.306 419 W C 0.167 176.724 176.519 0.062 0.000 1.216 419 W CA -0.424 56.967 57.345 0.075 0.000 1.237 419 W CB 0.688 30.196 29.460 0.081 0.000 1.243 419 W HN 0.524 nan 8.180 nan 0.000 0.493 420 N N 2.481 121.326 118.700 0.242 0.000 2.402 420 N HA 0.341 5.081 4.740 -0.000 0.000 0.294 420 N C -1.149 174.480 175.510 0.199 0.000 1.203 420 N CA -0.847 52.304 53.050 0.168 0.000 0.838 420 N CB 1.739 40.274 38.487 0.079 0.000 1.306 420 N HN 0.426 nan 8.380 nan 0.000 0.510 421 E N 0.439 120.723 120.200 0.141 0.000 2.165 421 E HA 0.216 4.566 4.350 -0.000 0.000 0.266 421 E C -1.255 175.401 176.600 0.093 0.000 0.889 421 E CA -0.653 55.826 56.400 0.132 0.000 0.756 421 E CB 1.347 31.111 29.700 0.107 0.000 1.131 421 E HN 0.296 nan 8.360 nan 0.000 0.411 422 D N 4.084 124.540 120.400 0.095 0.000 2.365 422 D HA 0.015 4.655 4.640 -0.000 0.000 0.237 422 D C 0.684 177.021 176.300 0.062 0.000 1.190 422 D CA -0.047 53.992 54.000 0.066 0.000 0.867 422 D CB 1.077 41.912 40.800 0.058 0.000 1.050 422 D HN 0.388 nan 8.370 nan 0.000 0.491 423 E N 1.344 121.573 120.200 0.047 0.000 2.150 423 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 423 E C 1.261 177.884 176.600 0.038 0.000 0.985 423 E CA 0.856 57.280 56.400 0.040 0.000 0.814 423 E CB 0.124 29.841 29.700 0.028 0.000 0.752 423 E HN 0.598 nan 8.360 nan 0.000 0.466 424 D N 0.091 120.511 120.400 0.034 0.000 2.349 424 D HA -0.114 4.526 4.640 -0.000 0.000 0.224 424 D C 0.036 176.358 176.300 0.037 0.000 1.029 424 D CA 0.180 54.198 54.000 0.030 0.000 0.879 424 D CB -0.084 40.730 40.800 0.023 0.000 0.906 424 D HN 0.140 nan 8.370 nan 0.000 0.528 425 Q N 1.135 120.964 119.800 0.047 0.000 2.456 425 Q HA 0.456 4.796 4.340 -0.000 0.000 0.252 425 Q C -0.095 175.949 176.000 0.074 0.000 1.042 425 Q CA -0.465 55.371 55.803 0.055 0.000 0.766 425 Q CB 1.842 30.611 28.738 0.052 0.000 1.196 425 Q HN 0.393 nan 8.270 nan 0.000 0.504 426 I N -1.897 118.719 120.570 0.076 0.000 2.982 426 I HA 0.831 5.001 4.170 -0.000 0.000 0.312 426 I C -0.709 175.476 176.117 0.114 0.000 1.041 426 I CA -1.351 60.010 61.300 0.101 0.000 1.053 426 I CB 1.830 39.885 38.000 0.091 0.000 1.248 426 I HN 0.076 nan 8.210 nan 0.000 0.471 427 V N 2.426 122.436 119.914 0.160 0.000 2.686 427 V HA 0.305 4.425 4.120 -0.000 0.000 0.306 427 V C -0.846 175.385 176.094 0.229 0.000 1.065 427 V CA -0.426 61.973 62.300 0.164 0.000 0.894 427 V CB 1.578 33.468 31.823 0.111 0.000 1.004 427 V HN 0.774 nan 8.190 nan 0.000 0.424 428 H N 5.676 124.800 119.070 0.090 0.000 2.700 428 H HA 0.407 4.963 4.556 -0.000 0.000 0.269 428 H C -1.196 174.163 175.328 0.051 0.000 1.222 428 H CA -0.584 55.509 56.048 0.075 0.000 1.254 428 H CB 1.365 31.148 29.762 0.035 0.000 1.413 428 H HN 0.477 nan 8.280 nan 0.000 0.507 429 L N 4.936 126.182 121.223 0.038 0.000 2.260 429 L HA 0.252 4.592 4.340 -0.000 0.000 0.289 429 L C 0.184 177.016 176.870 -0.064 0.000 1.057 429 L CA -0.264 54.556 54.840 -0.033 0.000 0.811 429 L CB 0.685 42.697 42.059 -0.080 0.000 1.184 429 L HN 0.438 nan 8.230 nan 0.000 0.429 430 K N 4.165 124.555 120.400 -0.015 0.000 2.368 430 K HA 0.617 4.937 4.320 -0.000 0.000 0.282 430 K C -0.889 175.719 176.600 0.014 0.000 1.035 430 K CA 0.239 56.546 56.287 0.032 0.000 0.973 430 K CB 0.450 32.999 32.500 0.083 0.000 0.957 430 K HN 0.836 nan 8.250 nan 0.000 0.474 431 A N 3.483 126.323 122.820 0.034 0.000 2.605 431 A HA 0.256 4.576 4.320 -0.000 0.000 0.294 431 A C -0.846 176.767 177.584 0.049 0.000 1.062 431 A CA -0.786 51.285 52.037 0.057 0.000 0.682 431 A CB 1.223 20.252 19.000 0.049 0.000 1.278 431 A HN 0.833 nan 8.150 nan 0.000 0.410 432 D N -0.277 120.154 120.400 0.052 0.000 2.423 432 D HA 0.240 4.880 4.640 -0.000 0.000 0.212 432 D C -0.077 176.249 176.300 0.042 0.000 1.060 432 D CA 0.965 54.992 54.000 0.044 0.000 0.872 432 D CB 1.146 41.973 40.800 0.044 0.000 1.012 432 D HN 0.226 nan 8.370 nan 0.000 0.503 433 V N 1.444 121.373 119.914 0.026 0.000 2.760 433 V HA 0.349 4.469 4.120 -0.000 0.000 0.309 433 V C -0.489 175.585 176.094 -0.033 0.000 1.077 433 V CA -0.787 61.519 62.300 0.011 0.000 0.910 433 V CB 3.063 34.864 31.823 -0.036 0.000 1.008 433 V HN -0.238 nan 8.190 nan 0.000 0.424 434 V N 5.550 125.440 119.914 -0.040 0.000 2.588 434 V HA 0.580 4.700 4.120 -0.000 0.000 0.304 434 V C -0.616 175.285 176.094 -0.322 0.000 1.042 434 V CA -0.391 61.842 62.300 -0.112 0.000 0.877 434 V CB 1.956 33.779 31.823 -0.001 0.000 0.996 434 V HN 0.698 nan 8.190 nan 0.000 0.425 435 I N 3.995 124.325 120.570 -0.400 0.000 2.439 435 I HA 0.380 4.550 4.170 -0.000 0.000 0.285 435 I C 0.217 176.042 176.117 -0.487 0.000 1.021 435 I CA -0.388 60.597 61.300 -0.524 0.000 1.091 435 I CB 2.176 39.842 38.000 -0.557 0.000 1.242 435 I HN 0.670 nan 8.210 nan 0.000 0.439 436 S N 4.551 119.920 115.700 -0.551 0.000 2.489 436 S HA 0.671 5.141 4.470 -0.000 0.000 0.277 436 S C 0.242 174.580 174.600 -0.436 0.000 1.230 436 S CA -0.551 57.334 58.200 -0.526 0.000 1.053 436 S CB 1.618 64.691 63.200 -0.211 0.000 0.955 436 S HN 0.738 nan 8.310 nan 0.000 0.488 437 A N 3.079 125.567 122.820 -0.554 0.000 3.129 437 A HA 0.580 4.899 4.320 -0.000 0.000 0.282 437 A C 0.097 177.565 177.584 -0.193 0.000 0.948 437 A CA -0.629 51.245 52.037 -0.271 0.000 1.027 437 A CB -0.633 18.253 19.000 -0.191 0.000 1.123 437 A HN 0.734 nan 8.150 nan 0.000 0.485 438 F N 0.394 120.381 119.950 0.062 0.000 2.456 438 F HA 0.355 4.882 4.527 -0.000 0.000 0.298 438 F C 1.666 177.490 175.800 0.039 0.000 1.104 438 F CA 0.821 58.856 58.000 0.059 0.000 1.435 438 F CB -0.043 39.007 39.000 0.083 0.000 1.078 438 F HN 0.579 nan 8.300 nan 0.000 0.546 439 G N -1.080 107.835 108.800 0.191 0.000 2.325 439 G HA2 0.245 4.205 3.960 -0.000 0.000 0.285 439 G HA3 0.245 4.205 3.960 -0.000 0.000 0.285 439 G C -1.148 173.818 174.900 0.110 0.000 1.303 439 G CA -0.634 44.539 45.100 0.122 0.000 0.970 439 G HN 0.038 nan 8.290 nan 0.000 0.490 440 S N -1.414 114.334 115.700 0.079 0.000 2.632 440 S HA 0.927 5.397 4.470 -0.000 0.000 0.289 440 S C -0.110 174.527 174.600 0.061 0.000 1.115 440 S CA -0.025 58.219 58.200 0.073 0.000 0.889 440 S CB 1.878 65.114 63.200 0.061 0.000 1.116 440 S HN 2.056 nan 8.310 nan 0.000 0.486 441 V N -0.797 119.156 119.914 0.066 0.000 3.203 441 V HA 0.816 4.936 4.120 -0.000 0.000 0.305 441 V C -1.899 174.235 176.094 0.067 0.000 1.361 441 V CA -1.078 61.260 62.300 0.063 0.000 1.066 441 V CB 1.704 33.568 31.823 0.069 0.000 1.085 441 V HN 0.701 nan 8.190 nan 0.000 0.456 442 L N 2.326 123.595 121.223 0.076 0.000 2.316 442 L HA 0.804 5.144 4.340 -0.000 0.000 0.280 442 L C 0.445 177.364 176.870 0.082 0.000 1.006 442 L CA 0.102 54.991 54.840 0.082 0.000 0.836 442 L CB 1.030 43.152 42.059 0.105 0.000 1.221 442 L HN 0.918 nan 8.230 nan 0.000 0.418 443 R N 1.477 122.015 120.500 0.062 0.000 2.527 443 R HA 0.318 4.658 4.340 -0.000 0.000 0.402 443 R C -0.560 175.757 176.300 0.028 0.000 0.933 443 R CA -0.616 55.511 56.100 0.045 0.000 1.171 443 R CB 0.042 30.370 30.300 0.046 0.000 1.612 443 R HN 0.467 nan 8.270 nan 0.000 0.546 444 D N 2.749 123.166 120.400 0.030 0.000 2.338 444 D HA 0.134 4.774 4.640 -0.000 0.000 0.255 444 D C -1.536 174.763 176.300 -0.001 0.000 1.237 444 D CA -2.102 51.908 54.000 0.017 0.000 0.883 444 D CB 1.753 42.567 40.800 0.022 0.000 1.087 444 D HN -0.044 nan 8.370 nan 0.000 0.485 445 P HA -0.128 nan 4.420 nan 0.000 0.216 445 P C 0.990 178.269 177.300 -0.035 0.000 1.150 445 P CA 1.301 64.379 63.100 -0.038 0.000 0.837 445 P CB 0.336 32.017 31.700 -0.033 0.000 0.786 446 K N -0.851 119.538 120.400 -0.018 0.000 2.211 446 K HA -0.039 4.281 4.320 -0.000 0.000 0.203 446 K C 1.840 178.435 176.600 -0.009 0.000 1.050 446 K CA 0.980 57.259 56.287 -0.014 0.000 0.945 446 K CB -0.530 31.966 32.500 -0.007 0.000 0.732 446 K HN 0.058 nan 8.250 nan 0.000 0.451 447 V N 1.632 121.547 119.914 0.001 0.000 2.407 447 V HA -0.182 3.938 4.120 -0.000 0.000 0.245 447 V C 1.922 178.035 176.094 0.031 0.000 1.041 447 V CA 1.538 63.847 62.300 0.015 0.000 1.040 447 V CB -0.279 31.560 31.823 0.028 0.000 0.671 447 V HN 0.240 nan 8.190 nan 0.000 0.455 448 K N 0.061 120.467 120.400 0.012 0.000 2.097 448 K HA -0.219 4.101 4.320 -0.000 0.000 0.206 448 K C 2.196 178.763 176.600 -0.055 0.000 1.049 448 K CA 1.635 57.910 56.287 -0.020 0.000 0.933 448 K CB -0.148 32.226 32.500 -0.210 0.000 0.717 448 K HN 0.507 nan 8.250 nan 0.000 0.442 449 E N 0.801 120.966 120.200 -0.059 0.000 2.110 449 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 449 E C 1.803 178.398 176.600 -0.009 0.000 0.988 449 E CA 0.913 57.284 56.400 -0.048 0.000 0.804 449 E CB -0.018 29.658 29.700 -0.040 0.000 0.745 449 E HN 0.328 nan 8.360 nan 0.000 0.458 450 A N 0.514 123.335 122.820 0.002 0.000 2.125 450 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 450 A C 1.857 179.452 177.584 0.019 0.000 1.156 450 A CA 0.702 52.742 52.037 0.006 0.000 0.671 450 A CB -0.260 18.736 19.000 -0.006 0.000 0.794 450 A HN 0.288 nan 8.150 nan 0.000 0.459 451 L N -0.282 120.973 121.223 0.053 0.000 2.628 451 L HA 0.110 4.450 4.340 -0.000 0.000 0.229 451 L C 1.141 178.064 176.870 0.088 0.000 1.137 451 L CA -0.253 54.631 54.840 0.073 0.000 0.909 451 L CB 0.019 42.187 42.059 0.181 0.000 1.137 451 L HN 0.318 nan 8.230 nan 0.000 0.470 452 S N 1.851 117.589 115.700 0.063 0.000 2.560 452 S HA 0.112 4.582 4.470 -0.000 0.000 0.284 452 S C -1.673 172.965 174.600 0.063 0.000 1.327 452 S CA -0.764 57.469 58.200 0.056 0.000 1.055 452 S CB 0.584 63.801 63.200 0.028 0.000 0.868 452 S HN 0.090 nan 8.310 nan 0.000 0.506 453 P HA 0.263 nan 4.420 nan 0.000 0.263 453 P C 0.176 177.510 177.300 0.058 0.000 1.821 453 P CA -0.388 62.745 63.100 0.056 0.000 1.186 453 P CB -0.624 31.104 31.700 0.048 0.000 1.623 454 I N -2.530 118.073 120.570 0.055 0.000 2.754 454 I HA 0.233 4.403 4.170 -0.000 0.000 0.285 454 I C 0.254 176.443 176.117 0.119 0.000 1.166 454 I CA -0.483 60.821 61.300 0.007 0.000 1.417 454 I CB 0.702 38.633 38.000 -0.116 0.000 1.382 454 I HN -0.185 nan 8.210 nan 0.000 0.588 455 K N 4.109 124.528 120.400 0.033 0.000 2.298 455 K HA 0.341 4.661 4.320 -0.000 0.000 0.280 455 K C -1.423 175.231 176.600 0.090 0.000 1.032 455 K CA -0.345 55.995 56.287 0.089 0.000 0.958 455 K CB 0.569 33.069 32.500 0.001 0.000 0.978 455 K HN 0.496 nan 8.250 nan 0.000 0.472 456 F N 3.025 122.941 119.950 -0.057 0.000 2.480 456 F HA 0.228 4.755 4.527 -0.000 0.000 0.329 456 F C 0.612 176.380 175.800 -0.054 0.000 1.091 456 F CA -0.861 57.111 58.000 -0.046 0.000 0.972 456 F CB 1.277 40.257 39.000 -0.033 0.000 1.150 456 F HN 0.657 nan 8.300 nan 0.000 0.467 457 N N 1.457 120.201 118.700 0.074 0.000 2.374 457 N HA 0.255 4.995 4.740 -0.000 0.000 0.284 457 N C 0.773 176.247 175.510 -0.060 0.000 1.280 457 N CA -0.423 52.613 53.050 -0.022 0.000 0.963 457 N CB 0.381 38.831 38.487 -0.061 0.000 1.141 457 N HN 0.494 nan 8.380 nan 0.000 0.565 458 R N -1.426 118.913 120.500 -0.270 0.000 2.152 458 R HA -0.053 4.287 4.340 -0.000 0.000 0.232 458 R C 1.073 177.206 176.300 -0.279 0.000 1.117 458 R CA 1.475 57.341 56.100 -0.389 0.000 0.981 458 R CB -0.310 29.544 30.300 -0.742 0.000 0.870 458 R HN 0.655 nan 8.270 nan 0.000 0.451 459 W N 0.459 121.782 121.300 0.038 0.000 3.180 459 W HA -0.001 4.659 4.660 -0.000 0.000 0.254 459 W C 0.104 176.665 176.519 0.070 0.000 1.318 459 W CA -0.436 56.933 57.345 0.040 0.000 1.608 459 W CB 0.160 29.635 29.460 0.024 0.000 1.124 459 W HN 0.119 nan 8.180 nan 0.000 0.694 460 D N 0.724 121.281 120.400 0.262 0.000 2.746 460 D HA -0.183 4.457 4.640 -0.000 0.000 0.236 460 D C -0.721 175.838 176.300 0.431 0.000 1.129 460 D CA 0.773 54.951 54.000 0.297 0.000 0.691 460 D CB -1.290 39.624 40.800 0.190 0.000 1.077 460 D HN 0.084 nan 8.370 nan 0.000 0.432 461 L N -0.904 120.504 121.223 0.308 0.000 2.333 461 L HA 0.626 4.966 4.340 -0.000 0.000 0.263 461 L C -2.061 174.596 176.870 -0.355 0.000 1.014 461 L CA -2.409 52.475 54.840 0.074 0.000 0.820 461 L CB 2.001 44.107 42.059 0.078 0.000 1.352 461 L HN -0.217 nan 8.230 nan 0.000 0.421 462 P HA -0.026 nan 4.420 nan 0.000 0.263 462 P C -0.955 176.093 177.300 -0.420 0.000 1.195 462 P CA 0.169 62.740 63.100 -0.883 0.000 0.762 462 P CB 0.392 31.690 31.700 -0.670 0.000 0.799 463 E N 2.988 122.982 120.200 -0.343 0.000 2.259 463 E HA 0.358 4.708 4.350 -0.000 0.000 0.281 463 E C -0.622 175.863 176.600 -0.191 0.000 1.027 463 E CA -0.736 55.551 56.400 -0.188 0.000 0.838 463 E CB 0.559 30.180 29.700 -0.131 0.000 1.066 463 E HN 0.255 nan 8.360 nan 0.000 0.401 464 V N 1.255 121.084 119.914 -0.142 0.000 3.078 464 V HA 0.393 4.513 4.120 -0.000 0.000 0.311 464 V C -0.450 175.581 176.094 -0.105 0.000 1.138 464 V CA -1.195 61.018 62.300 -0.145 0.000 1.007 464 V CB 1.837 33.585 31.823 -0.126 0.000 1.045 464 V HN 0.727 nan 8.190 nan 0.000 0.432 465 D N 4.256 124.583 120.400 -0.120 0.000 2.343 465 D HA 0.267 4.907 4.640 -0.000 0.000 0.255 465 D C -1.448 174.808 176.300 -0.073 0.000 1.187 465 D CA -1.458 52.482 54.000 -0.100 0.000 0.875 465 D CB 2.231 42.951 40.800 -0.133 0.000 1.136 465 D HN 0.542 nan 8.370 nan 0.000 0.469 466 P HA -0.149 nan 4.420 nan 0.000 0.225 466 P C 0.811 178.100 177.300 -0.020 0.000 1.148 466 P CA 0.919 64.007 63.100 -0.020 0.000 0.779 466 P CB 0.587 32.283 31.700 -0.008 0.000 0.780 467 E N 0.629 120.792 120.200 -0.062 0.000 2.127 467 E HA -0.062 4.288 4.350 -0.000 0.000 0.191 467 E C 1.881 178.356 176.600 -0.209 0.000 0.964 467 E CA 1.592 57.945 56.400 -0.079 0.000 0.832 467 E CB -0.870 28.778 29.700 -0.086 0.000 0.790 467 E HN 0.189 nan 8.360 nan 0.000 0.465 468 T N -2.410 111.933 114.554 -0.350 0.000 3.037 468 T HA 0.156 4.506 4.350 -0.000 0.000 0.251 468 T C 0.820 175.554 174.700 0.057 0.000 1.079 468 T CA 0.461 62.234 62.100 -0.545 0.000 1.067 468 T CB 0.121 68.634 68.868 -0.592 0.000 0.948 468 T HN 0.096 nan 8.240 nan 0.000 0.496 469 M N -0.161 119.469 119.600 0.050 0.000 2.908 469 M HA -0.158 4.322 4.480 -0.000 0.000 0.191 469 M C 0.062 176.405 176.300 0.072 0.000 0.619 469 M CA 0.509 55.899 55.300 0.149 0.000 0.709 469 M CB -2.834 29.964 32.600 0.331 0.000 2.554 469 M HN 0.658 nan 8.290 nan 0.000 0.356 470 Q N 1.563 121.251 119.800 -0.186 0.000 2.288 470 Q HA 0.432 4.772 4.340 -0.000 0.000 0.254 470 Q C 0.850 176.561 176.000 -0.481 0.000 0.932 470 Q CA 0.437 55.806 55.803 -0.723 0.000 0.902 470 Q CB 1.259 29.559 28.738 -0.731 0.000 1.203 470 Q HN 0.469 nan 8.270 nan 0.000 0.415 471 T N -0.714 113.514 114.554 -0.544 0.000 2.833 471 T HA 0.118 4.468 4.350 -0.000 0.000 0.292 471 T C 1.320 175.828 174.700 -0.319 0.000 1.031 471 T CA -0.006 61.868 62.100 -0.377 0.000 0.937 471 T CB 0.541 69.180 68.868 -0.382 0.000 1.256 471 T HN 0.703 nan 8.240 nan 0.000 0.551 472 S N -0.723 114.838 115.700 -0.232 0.000 2.447 472 S HA -0.025 4.445 4.470 -0.000 0.000 0.233 472 S C 0.512 175.020 174.600 -0.153 0.000 1.006 472 S CA 0.343 58.448 58.200 -0.159 0.000 0.957 472 S CB -0.490 62.650 63.200 -0.099 0.000 0.773 472 S HN 0.683 nan 8.310 nan 0.000 0.507 473 E N 2.578 122.647 120.200 -0.218 0.000 2.115 473 E HA 0.262 4.612 4.350 -0.000 0.000 0.282 473 E C -1.769 174.648 176.600 -0.306 0.000 0.987 473 E CA -2.727 53.567 56.400 -0.178 0.000 0.797 473 E CB 1.466 31.033 29.700 -0.221 0.000 1.086 473 E HN 0.206 nan 8.360 nan 0.000 0.397 474 P HA -0.161 nan 4.420 nan 0.000 0.217 474 P C 1.127 178.034 177.300 -0.656 0.000 1.148 474 P CA 1.391 64.305 63.100 -0.310 0.000 0.828 474 P CB -0.049 31.638 31.700 -0.022 0.000 0.783 475 W N -0.031 120.906 121.300 -0.605 0.000 3.256 475 W HA 0.353 5.013 4.660 -0.000 0.000 0.269 475 W C -0.769 175.675 176.519 -0.124 0.000 1.310 475 W CA -0.123 56.896 57.345 -0.543 0.000 1.673 475 W CB -0.670 28.725 29.460 -0.107 0.000 1.115 475 W HN -0.332 nan 8.180 nan 0.000 0.686 476 V N 2.537 121.992 119.914 -0.766 0.000 2.448 476 V HA 0.444 4.564 4.120 -0.000 0.000 0.295 476 V C -0.829 174.935 176.094 -0.551 0.000 1.025 476 V CA -0.483 61.418 62.300 -0.665 0.000 0.859 476 V CB 1.174 32.451 31.823 -0.910 0.000 0.988 476 V HN -0.178 nan 8.190 nan 0.000 0.431 477 F N 1.967 121.772 119.950 -0.242 0.000 2.618 477 F HA 0.940 5.467 4.527 -0.000 0.000 0.332 477 F C 0.375 175.997 175.800 -0.296 0.000 1.061 477 F CA -0.729 57.194 58.000 -0.129 0.000 0.974 477 F CB 2.113 41.185 39.000 0.120 0.000 1.310 477 F HN 0.613 nan 8.300 nan 0.000 0.491 478 A N 0.096 122.837 122.820 -0.132 0.000 2.594 478 A HA 0.909 5.229 4.320 -0.000 0.000 0.295 478 A C -0.890 176.547 177.584 -0.245 0.000 1.071 478 A CA -0.167 51.575 52.037 -0.492 0.000 0.685 478 A CB 1.706 20.486 19.000 -0.366 0.000 1.285 478 A HN 1.281 nan 8.150 nan 0.000 0.405 479 G N -1.083 107.517 108.800 -0.333 0.000 2.576 479 G HA2 0.858 4.818 3.960 -0.000 0.000 0.290 479 G HA3 0.858 4.818 3.960 -0.000 0.000 0.290 479 G C 0.132 175.090 174.900 0.098 0.000 1.442 479 G CA 0.628 45.792 45.100 0.108 0.000 0.792 479 G HN 2.678 nan 8.290 nan 0.000 0.491 480 G N 0.088 108.961 108.800 0.122 0.000 2.587 480 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.212 480 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.212 480 G C 0.471 175.393 174.900 0.036 0.000 1.327 480 G CA 0.640 45.794 45.100 0.091 0.000 0.898 480 G HN 0.814 nan 8.290 nan 0.000 0.551 481 D N -0.581 119.838 120.400 0.031 0.000 2.190 481 D HA -0.102 4.537 4.640 -0.000 0.000 0.200 481 D C 2.416 178.713 176.300 -0.004 0.000 0.992 481 D CA 1.437 55.446 54.000 0.014 0.000 0.854 481 D CB -0.104 40.709 40.800 0.022 0.000 0.936 481 D HN 0.473 nan 8.370 nan 0.000 0.462 482 I N 0.241 120.799 120.570 -0.019 0.000 2.423 482 I HA -0.217 3.953 4.170 -0.000 0.000 0.254 482 I C 1.868 177.949 176.117 -0.061 0.000 1.151 482 I CA 0.929 62.202 61.300 -0.045 0.000 1.421 482 I CB 0.090 38.036 38.000 -0.089 0.000 1.079 482 I HN -0.157 nan 8.210 nan 0.000 0.431 483 V N 1.069 120.949 119.914 -0.056 0.000 2.871 483 V HA 0.101 4.221 4.120 -0.000 0.000 0.256 483 V C 1.916 178.001 176.094 -0.015 0.000 1.082 483 V CA 1.014 63.284 62.300 -0.051 0.000 1.105 483 V CB -1.381 30.422 31.823 -0.034 0.000 0.713 483 V HN 0.688 nan 8.190 nan 0.000 0.473 484 G N -0.031 108.759 108.800 -0.017 0.000 2.153 484 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.252 484 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.252 484 G C 0.721 175.594 174.900 -0.044 0.000 0.994 484 G CA 0.923 46.003 45.100 -0.033 0.000 0.698 484 G HN 0.455 nan 8.290 nan 0.000 0.521 485 M N -0.608 118.981 119.600 -0.017 0.000 2.556 485 M HA 0.610 5.090 4.480 -0.000 0.000 0.264 485 M C 1.287 177.577 176.300 -0.016 0.000 1.163 485 M CA 1.662 56.955 55.300 -0.011 0.000 1.186 485 M CB 0.329 32.935 32.600 0.010 0.000 1.321 485 M HN 0.754 nan 8.290 nan 0.000 0.485 486 A N 0.375 123.191 122.820 -0.007 0.000 2.435 486 A HA 0.602 4.922 4.320 -0.000 0.000 0.296 486 A C -0.678 176.904 177.584 -0.003 0.000 1.147 486 A CA -0.664 51.370 52.037 -0.004 0.000 0.775 486 A CB 1.028 20.034 19.000 0.009 0.000 1.340 486 A HN 0.397 nan 8.150 nan 0.000 0.427 487 N N 0.240 118.939 118.700 -0.002 0.000 2.628 487 N HA 0.245 4.985 4.740 -0.000 0.000 0.299 487 N C -0.957 174.557 175.510 0.007 0.000 1.834 487 N CA 0.512 53.563 53.050 0.002 0.000 0.871 487 N CB 0.782 39.267 38.487 -0.004 0.000 1.377 487 N HN 0.916 nan 8.380 nan 0.000 0.493 488 T N -4.226 110.335 114.554 0.011 0.000 2.896 488 T HA 0.360 4.710 4.350 -0.000 0.000 0.297 488 T C 1.118 175.828 174.700 0.017 0.000 1.108 488 T CA -0.435 61.671 62.100 0.010 0.000 1.004 488 T CB 1.357 70.228 68.868 0.005 0.000 1.159 488 T HN -0.108 nan 8.240 nan 0.000 0.499 489 T N 1.072 115.634 114.554 0.013 0.000 2.708 489 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 489 T C 2.030 176.738 174.700 0.013 0.000 1.037 489 T CA 1.444 63.553 62.100 0.015 0.000 1.146 489 T CB -0.332 68.539 68.868 0.005 0.000 0.865 489 T HN 0.531 nan 8.240 nan 0.000 0.435 490 V N 1.341 121.257 119.914 0.003 0.000 2.407 490 V HA -0.170 3.950 4.120 -0.000 0.000 0.248 490 V C 2.291 178.395 176.094 0.017 0.000 1.055 490 V CA 1.918 64.219 62.300 0.001 0.000 1.049 490 V CB -0.416 31.403 31.823 -0.007 0.000 0.662 490 V HN 0.534 nan 8.190 nan 0.000 0.455 491 E N -0.452 119.761 120.200 0.021 0.000 2.152 491 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 491 E C 2.359 178.987 176.600 0.047 0.000 0.983 491 E CA 1.294 57.711 56.400 0.030 0.000 0.818 491 E CB -0.093 29.621 29.700 0.024 0.000 0.758 491 E HN 0.592 nan 8.360 nan 0.000 0.467 492 S N 0.289 116.019 115.700 0.051 0.000 2.371 492 S HA -0.102 4.368 4.470 -0.000 0.000 0.224 492 S C 2.168 176.822 174.600 0.090 0.000 1.029 492 S CA 0.609 58.857 58.200 0.079 0.000 0.978 492 S CB -0.028 63.218 63.200 0.076 0.000 0.833 492 S HN 0.056 nan 8.310 nan 0.000 0.466 493 V N 2.672 122.624 119.914 0.063 0.000 2.343 493 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 493 V C 2.281 178.415 176.094 0.066 0.000 1.051 493 V CA 1.962 64.301 62.300 0.065 0.000 1.036 493 V CB -0.843 31.004 31.823 0.040 0.000 0.654 493 V HN 0.461 nan 8.190 nan 0.000 0.451 494 N N 0.204 118.931 118.700 0.047 0.000 2.166 494 N HA -0.171 4.569 4.740 -0.000 0.000 0.186 494 N C 1.470 177.000 175.510 0.034 0.000 1.019 494 N CA 1.438 54.502 53.050 0.023 0.000 0.856 494 N CB -0.199 38.302 38.487 0.022 0.000 0.993 494 N HN 0.425 nan 8.380 nan 0.000 0.426 495 D N -0.775 119.672 120.400 0.079 0.000 2.117 495 D HA -0.070 4.570 4.640 -0.000 0.000 0.197 495 D C 1.836 178.224 176.300 0.146 0.000 0.987 495 D CA 1.400 55.480 54.000 0.134 0.000 0.829 495 D CB -0.832 40.075 40.800 0.178 0.000 0.961 495 D HN 0.450 nan 8.370 nan 0.000 0.460 496 G N 0.641 109.490 108.800 0.082 0.000 2.408 496 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.217 496 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.217 496 G C 1.552 176.376 174.900 -0.126 0.000 1.150 496 G CA 0.871 45.881 45.100 -0.150 0.000 0.776 496 G HN 0.269 nan 8.290 nan 0.000 0.542 497 K N -0.199 120.146 120.400 -0.091 0.000 2.002 497 K HA -0.155 4.165 4.320 -0.000 0.000 0.209 497 K C 2.538 178.995 176.600 -0.239 0.000 1.048 497 K CA 1.703 57.772 56.287 -0.362 0.000 0.930 497 K CB -0.181 32.040 32.500 -0.464 0.000 0.714 497 K HN 0.272 nan 8.250 nan 0.000 0.438 498 Q N 0.474 120.235 119.800 -0.065 0.000 2.061 498 Q HA -0.124 4.216 4.340 -0.000 0.000 0.204 498 Q C 1.795 177.930 176.000 0.225 0.000 0.984 498 Q CA 2.226 58.086 55.803 0.095 0.000 0.846 498 Q CB -0.439 28.380 28.738 0.135 0.000 0.902 498 Q HN 0.433 nan 8.270 nan 0.000 0.421 499 A N -0.157 122.765 122.820 0.171 0.000 1.933 499 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 499 A C 2.252 179.814 177.584 -0.037 0.000 1.175 499 A CA 2.139 54.281 52.037 0.175 0.000 0.628 499 A CB -1.152 17.999 19.000 0.251 0.000 0.814 499 A HN 0.617 nan 8.150 nan 0.000 0.444 500 S N -1.367 114.288 115.700 -0.075 0.000 2.370 500 S HA -0.257 4.213 4.470 -0.000 0.000 0.226 500 S C 1.938 176.533 174.600 -0.009 0.000 1.033 500 S CA 1.348 59.501 58.200 -0.078 0.000 1.011 500 S CB -0.907 62.306 63.200 0.021 0.000 0.852 500 S HN 0.764 nan 8.310 nan 0.000 0.457 501 W N 1.160 122.384 121.300 -0.126 0.000 2.381 501 W HA -0.149 4.511 4.660 -0.000 0.000 0.301 501 W C 1.513 177.911 176.519 -0.202 0.000 1.205 501 W CA 1.176 58.423 57.345 -0.164 0.000 1.285 501 W CB -0.322 28.936 29.460 -0.336 0.000 1.133 501 W HN 0.383 nan 8.180 nan 0.000 0.521 502 Y N 0.323 120.609 120.300 -0.023 0.000 2.457 502 Y HA -0.084 4.466 4.550 -0.000 0.000 0.292 502 Y C 2.439 178.208 175.900 -0.218 0.000 1.125 502 Y CA 1.190 59.262 58.100 -0.046 0.000 1.254 502 Y CB -0.772 37.843 38.460 0.258 0.000 1.012 502 Y HN -0.141 nan 8.280 nan 0.000 0.555 503 I N -0.885 119.414 120.570 -0.451 0.000 2.252 503 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 503 I C 2.502 178.498 176.117 -0.201 0.000 1.102 503 I CA 1.553 62.499 61.300 -0.591 0.000 1.385 503 I CB -0.312 37.306 38.000 -0.636 0.000 1.064 503 I HN 0.248 nan 8.210 nan 0.000 0.414 504 H N 1.657 120.515 119.070 -0.352 0.000 2.319 504 H HA -0.238 4.318 4.556 -0.000 0.000 0.299 504 H C 2.210 177.361 175.328 -0.295 0.000 1.092 504 H CA 2.150 58.018 56.048 -0.300 0.000 1.302 504 H CB -0.116 29.455 29.762 -0.318 0.000 1.373 504 H HN 0.111 nan 8.280 nan 0.000 0.497 505 K N -0.994 119.057 120.400 -0.582 0.000 2.032 505 K HA -0.245 4.075 4.320 -0.000 0.000 0.209 505 K C 2.220 178.722 176.600 -0.163 0.000 1.048 505 K CA 1.664 57.661 56.287 -0.483 0.000 0.927 505 K CB -0.512 31.782 32.500 -0.343 0.000 0.712 505 K HN 0.409 nan 8.250 nan 0.000 0.441 506 Y N 1.563 121.823 120.300 -0.066 0.000 2.114 506 Y HA -0.203 4.347 4.550 -0.000 0.000 0.284 506 Y C 1.859 177.788 175.900 0.050 0.000 1.143 506 Y CA 1.802 59.948 58.100 0.076 0.000 1.135 506 Y CB -0.273 38.343 38.460 0.261 0.000 0.980 506 Y HN 0.022 nan 8.280 nan 0.000 0.499 507 I N 0.128 120.645 120.570 -0.089 0.000 2.163 507 I HA -0.349 3.821 4.170 -0.000 0.000 0.243 507 I C 2.434 178.503 176.117 -0.080 0.000 1.085 507 I CA 1.362 62.608 61.300 -0.090 0.000 1.347 507 I CB -0.564 37.448 38.000 0.020 0.000 1.044 507 I HN 0.326 nan 8.210 nan 0.000 0.408 508 Q N 0.680 120.367 119.800 -0.189 0.000 2.096 508 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 508 Q C 2.469 178.401 176.000 -0.112 0.000 0.982 508 Q CA 1.967 57.648 55.803 -0.204 0.000 0.850 508 Q CB -0.546 27.973 28.738 -0.365 0.000 0.901 508 Q HN 0.590 nan 8.270 nan 0.000 0.422 509 A N 0.988 123.712 122.820 -0.160 0.000 1.933 509 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 509 A C 2.060 179.557 177.584 -0.145 0.000 1.175 509 A CA 1.206 53.166 52.037 -0.128 0.000 0.628 509 A CB -0.319 18.614 19.000 -0.113 0.000 0.814 509 A HN 0.241 nan 8.150 nan 0.000 0.444 510 Q N -1.413 118.244 119.800 -0.238 0.000 2.226 510 Q HA -0.134 4.206 4.340 -0.000 0.000 0.204 510 Q C 0.710 176.578 176.000 -0.221 0.000 0.975 510 Q CA 1.255 56.897 55.803 -0.268 0.000 0.866 510 Q CB -0.285 28.231 28.738 -0.371 0.000 0.915 510 Q HN 0.867 nan 8.270 nan 0.000 0.440 511 Y N -0.547 119.656 120.300 -0.160 0.000 2.532 511 Y HA 0.266 4.816 4.550 -0.000 0.000 0.283 511 Y C 1.283 177.131 175.900 -0.088 0.000 1.181 511 Y CA 0.290 58.325 58.100 -0.109 0.000 1.256 511 Y CB 0.369 38.765 38.460 -0.106 0.000 1.112 511 Y HN 0.201 nan 8.280 nan 0.000 0.521 512 G N 0.333 109.136 108.800 0.005 0.000 2.176 512 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.252 512 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.252 512 G C 0.053 174.955 174.900 0.004 0.000 1.024 512 G CA 0.170 45.267 45.100 -0.006 0.000 0.755 512 G HN 0.647 nan 8.290 nan 0.000 0.507 513 A N -0.484 122.332 122.820 -0.007 0.000 2.374 513 A HA 0.954 5.274 4.320 -0.000 0.000 0.317 513 A C 0.380 177.937 177.584 -0.046 0.000 1.094 513 A CA 0.547 52.573 52.037 -0.018 0.000 0.765 513 A CB 1.465 20.450 19.000 -0.024 0.000 1.268 513 A HN 1.851 nan 8.150 nan 0.000 0.438 514 S N 0.252 115.937 115.700 -0.024 0.000 2.687 514 S HA 0.799 5.269 4.470 -0.000 0.000 0.283 514 S C 0.065 174.646 174.600 -0.031 0.000 1.170 514 S CA 0.040 58.226 58.200 -0.024 0.000 1.008 514 S CB 1.140 64.347 63.200 0.012 0.000 1.026 514 S HN 1.976 nan 8.310 nan 0.000 0.541 515 V N -1.182 118.717 119.914 -0.026 0.000 3.074 515 V HA 0.816 4.936 4.120 -0.000 0.000 0.314 515 V C 0.128 176.314 176.094 0.154 0.000 1.117 515 V CA -0.848 61.462 62.300 0.016 0.000 1.014 515 V CB 1.122 32.825 31.823 -0.200 0.000 1.057 515 V HN 1.221 nan 8.190 nan 0.000 0.438 516 S N 1.559 117.425 115.700 0.276 0.000 2.558 516 S HA 0.372 4.842 4.470 -0.000 0.000 0.288 516 S C 1.325 176.095 174.600 0.283 0.000 1.318 516 S CA 0.129 58.485 58.200 0.259 0.000 1.056 516 S CB 0.937 64.295 63.200 0.263 0.000 0.853 516 S HN 1.928 nan 8.310 nan 0.000 0.505 517 A N 2.499 125.424 122.820 0.175 0.000 1.933 517 A HA -0.005 4.315 4.320 -0.000 0.000 0.218 517 A C 1.193 178.855 177.584 0.130 0.000 1.175 517 A CA 1.182 53.313 52.037 0.158 0.000 0.628 517 A CB -0.389 18.673 19.000 0.103 0.000 0.814 517 A HN 0.846 nan 8.150 nan 0.000 0.444 518 K N 0.868 121.307 120.400 0.064 0.000 2.248 518 K HA 0.341 4.661 4.320 -0.000 0.000 0.281 518 K C -2.849 173.598 176.600 -0.255 0.000 1.054 518 K CA -2.468 53.783 56.287 -0.060 0.000 0.903 518 K CB 0.709 33.180 32.500 -0.048 0.000 1.077 518 K HN -0.012 nan 8.250 nan 0.000 0.474 519 P HA -0.084 nan 4.420 nan 0.000 0.262 519 P C -1.275 175.419 177.300 -1.010 0.000 1.182 519 P CA 0.546 62.784 63.100 -1.436 0.000 0.761 519 P CB 0.384 31.425 31.700 -1.099 0.000 0.795 520 E N 2.830 122.286 120.200 -1.240 0.000 3.898 520 E HA 0.190 4.540 4.350 -0.000 0.000 0.219 520 E C -0.450 176.103 176.600 -0.077 0.000 1.207 520 E CA -0.290 55.894 56.400 -0.359 0.000 1.240 520 E CB 0.285 29.965 29.700 -0.033 0.000 1.239 520 E HN 0.369 nan 8.360 nan 0.000 0.422 521 L N 2.214 123.374 121.223 -0.106 0.000 2.416 521 L HA 0.273 4.613 4.340 -0.000 0.000 0.272 521 L C -1.905 175.076 176.870 0.184 0.000 1.161 521 L CA -1.686 53.236 54.840 0.137 0.000 0.845 521 L CB -0.099 41.993 42.059 0.057 0.000 1.119 521 L HN 0.033 nan 8.230 nan 0.000 0.464 522 P HA 0.213 nan 4.420 nan 0.000 0.272 522 P C -0.295 177.154 177.300 0.248 0.000 1.230 522 P CA -0.423 62.825 63.100 0.248 0.000 0.788 522 P CB 0.651 32.494 31.700 0.239 0.000 0.949 523 L N 0.499 121.836 121.223 0.191 0.000 2.543 523 L HA 0.363 4.703 4.340 -0.000 0.000 0.231 523 L C 0.568 177.391 176.870 -0.078 0.000 1.194 523 L CA -0.605 54.226 54.840 -0.016 0.000 0.823 523 L CB -0.010 41.896 42.059 -0.256 0.000 1.374 523 L HN 0.291 nan 8.230 nan 0.000 0.507 524 F N 0.030 119.766 119.950 -0.357 0.000 2.408 524 F HA 0.441 4.968 4.527 -0.000 0.000 0.344 524 F C -0.845 174.685 175.800 -0.449 0.000 1.112 524 F CA -0.371 57.468 58.000 -0.268 0.000 1.096 524 F CB 0.468 39.355 39.000 -0.189 0.000 1.129 524 F HN 0.043 nan 8.300 nan 0.000 0.486 525 Y N 2.470 122.415 120.300 -0.591 0.000 2.536 525 Y HA 0.623 5.173 4.550 -0.000 0.000 0.347 525 Y C 0.215 175.794 175.900 -0.536 0.000 1.000 525 Y CA -0.733 57.128 58.100 -0.398 0.000 1.051 525 Y CB 2.260 40.593 38.460 -0.211 0.000 1.259 525 Y HN 0.681 nan 8.280 nan 0.000 0.468 526 T N -2.544 111.974 114.554 -0.060 0.000 2.812 526 T HA 0.393 4.743 4.350 -0.000 0.000 0.294 526 T C -2.661 172.004 174.700 -0.059 0.000 1.159 526 T CA -2.390 59.675 62.100 -0.059 0.000 1.008 526 T CB 1.923 70.861 68.868 0.116 0.000 1.289 526 T HN 0.187 nan 8.240 nan 0.000 0.514 527 P HA -0.003 nan 4.420 nan 0.000 0.221 527 P C 1.669 178.823 177.300 -0.243 0.000 1.145 527 P CA 0.414 63.440 63.100 -0.122 0.000 0.795 527 P CB -0.144 31.535 31.700 -0.036 0.000 0.775 528 V N 0.474 120.075 119.914 -0.521 0.000 2.392 528 V HA -0.241 3.879 4.120 -0.000 0.000 0.249 528 V C 1.727 177.706 176.094 -0.191 0.000 1.059 528 V CA 2.030 63.971 62.300 -0.599 0.000 1.051 528 V CB -1.193 30.009 31.823 -1.035 0.000 0.658 528 V HN 0.163 nan 8.190 nan 0.000 0.455 529 D N 0.077 120.454 120.400 -0.038 0.000 2.310 529 D HA -0.068 4.572 4.640 -0.000 0.000 0.212 529 D C 1.849 178.186 176.300 0.062 0.000 0.965 529 D CA 0.914 54.967 54.000 0.088 0.000 0.879 529 D CB -0.047 40.881 40.800 0.213 0.000 0.921 529 D HN 0.393 nan 8.370 nan 0.000 0.510 530 L N 0.370 121.608 121.223 0.025 0.000 2.558 530 L HA 0.057 4.397 4.340 -0.000 0.000 0.225 530 L C 0.538 177.435 176.870 0.045 0.000 1.128 530 L CA -0.089 54.769 54.840 0.030 0.000 0.868 530 L CB 0.234 42.304 42.059 0.019 0.000 1.006 530 L HN -0.216 nan 8.230 nan 0.000 0.454 531 V N 1.142 121.088 119.914 0.054 0.000 2.599 531 V HA -0.086 4.034 4.120 -0.000 0.000 0.300 531 V C 0.365 176.497 176.094 0.063 0.000 1.034 531 V CA 0.107 62.450 62.300 0.071 0.000 1.115 531 V CB 0.721 32.596 31.823 0.087 0.000 0.934 531 V HN 0.125 nan 8.190 nan 0.000 0.485 532 D N 5.132 125.565 120.400 0.056 0.000 2.317 532 D HA 0.209 4.849 4.640 -0.000 0.000 0.252 532 D C 0.553 176.886 176.300 0.056 0.000 1.174 532 D CA -0.286 53.745 54.000 0.052 0.000 0.866 532 D CB 1.090 41.914 40.800 0.040 0.000 1.127 532 D HN 0.595 nan 8.370 nan 0.000 0.467 533 I N 0.943 121.555 120.570 0.069 0.000 3.762 533 I HA 0.197 4.367 4.170 -0.000 0.000 0.333 533 I C 0.391 176.547 176.117 0.065 0.000 1.566 533 I CA -0.735 60.607 61.300 0.069 0.000 1.129 533 I CB 0.130 38.195 38.000 0.108 0.000 1.218 533 I HN 0.067 nan 8.210 nan 0.000 0.456 534 S N 0.851 116.589 115.700 0.065 0.000 2.614 534 S HA 0.676 5.146 4.470 -0.000 0.000 0.265 534 S C -0.306 174.328 174.600 0.056 0.000 1.303 534 S CA -0.462 57.785 58.200 0.079 0.000 1.000 534 S CB 2.490 65.735 63.200 0.075 0.000 0.935 534 S HN 0.287 nan 8.310 nan 0.000 0.551 535 V N 0.495 120.459 119.914 0.084 0.000 3.048 535 V HA 0.567 4.687 4.120 -0.000 0.000 0.303 535 V C -1.450 174.721 176.094 0.128 0.000 1.214 535 V CA -0.683 61.644 62.300 0.044 0.000 0.984 535 V CB 2.024 33.811 31.823 -0.061 0.000 1.054 535 V HN 1.132 nan 8.190 nan 0.000 0.430 536 E N 5.702 125.952 120.200 0.083 0.000 2.171 536 E HA 0.679 5.029 4.350 -0.000 0.000 0.271 536 E C -1.188 175.463 176.600 0.086 0.000 0.916 536 E CA -0.726 55.747 56.400 0.122 0.000 0.774 536 E CB 1.752 31.492 29.700 0.066 0.000 1.128 536 E HN 0.767 nan 8.360 nan 0.000 0.403 537 M N 3.682 123.379 119.600 0.161 0.000 2.322 537 M HA 0.410 4.890 4.480 -0.000 0.000 0.286 537 M C -0.951 175.441 176.300 0.153 0.000 1.111 537 M CA 0.008 55.354 55.300 0.077 0.000 0.941 537 M CB 1.728 34.271 32.600 -0.095 0.000 1.671 537 M HN 0.757 nan 8.290 nan 0.000 0.470 538 A N 2.910 125.788 122.820 0.098 0.000 2.783 538 A HA -0.039 4.281 4.320 -0.000 0.000 0.292 538 A C 1.166 178.808 177.584 0.096 0.000 1.495 538 A CA 1.729 53.839 52.037 0.121 0.000 0.787 538 A CB -2.630 16.529 19.000 0.265 0.000 1.017 538 A HN 2.512 nan 8.150 nan 0.000 0.516 539 G N -3.121 105.722 108.800 0.072 0.000 2.184 539 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.264 539 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.264 539 G C 0.074 174.993 174.900 0.032 0.000 0.975 539 G CA 0.629 45.755 45.100 0.044 0.000 0.642 539 G HN 1.481 nan 8.290 nan 0.000 0.536 540 L N -0.158 121.101 121.223 0.061 0.000 2.325 540 L HA 0.586 4.926 4.340 -0.000 0.000 0.278 540 L C 0.337 177.179 176.870 -0.047 0.000 1.023 540 L CA -0.897 53.913 54.840 -0.048 0.000 0.811 540 L CB 1.634 43.624 42.059 -0.114 0.000 1.249 540 L HN -0.027 nan 8.230 nan 0.000 0.431 541 K N 2.815 123.114 120.400 -0.168 0.000 2.265 541 K HA 0.510 4.830 4.320 -0.000 0.000 0.267 541 K C -1.395 175.087 176.600 -0.196 0.000 0.994 541 K CA -0.368 55.880 56.287 -0.066 0.000 0.860 541 K CB 1.327 33.805 32.500 -0.037 0.000 1.099 541 K HN 0.196 nan 8.250 nan 0.000 0.448 542 F N 3.199 123.138 119.950 -0.018 0.000 2.436 542 F HA 0.252 4.779 4.527 -0.000 0.000 0.340 542 F C 1.665 177.486 175.800 0.035 0.000 1.113 542 F CA -1.113 56.894 58.000 0.012 0.000 1.022 542 F CB 0.795 39.789 39.000 -0.010 0.000 1.128 542 F HN 0.478 nan 8.300 nan 0.000 0.466 543 I N 0.075 120.760 120.570 0.191 0.000 2.493 543 I HA -0.040 4.130 4.170 -0.000 0.000 0.254 543 I C -0.137 176.083 176.117 0.172 0.000 1.160 543 I CA 0.753 62.138 61.300 0.141 0.000 1.445 543 I CB -0.363 37.697 38.000 0.100 0.000 1.086 543 I HN 0.654 nan 8.210 nan 0.000 0.433 544 N N -0.456 118.389 118.700 0.241 0.000 2.591 544 N HA 0.372 5.112 4.740 -0.000 0.000 0.263 544 N C -2.616 173.025 175.510 0.218 0.000 1.308 544 N CA -1.689 51.494 53.050 0.221 0.000 0.837 544 N CB 0.975 39.628 38.487 0.276 0.000 1.548 544 N HN -0.283 nan 8.380 nan 0.000 0.493 545 P HA 0.142 nan 4.420 nan 0.000 0.249 545 P C -0.901 176.281 177.300 -0.196 0.000 1.241 545 P CA 0.357 63.320 63.100 -0.229 0.000 0.781 545 P CB -0.196 31.228 31.700 -0.460 0.000 1.088 546 F N 0.797 120.885 119.950 0.231 0.000 2.408 546 F HA 0.649 5.176 4.527 -0.000 0.000 0.344 546 F C 1.293 177.155 175.800 0.104 0.000 1.112 546 F CA -0.294 57.807 58.000 0.169 0.000 1.096 546 F CB 1.643 40.644 39.000 0.002 0.000 1.129 546 F HN -0.140 nan 8.300 nan 0.000 0.486 547 G N 2.472 111.189 108.800 -0.137 0.000 2.690 547 G HA2 0.639 4.599 3.960 -0.000 0.000 0.291 547 G HA3 0.639 4.599 3.960 -0.000 0.000 0.291 547 G C -1.771 172.872 174.900 -0.429 0.000 1.403 547 G CA -0.996 43.539 45.100 -0.943 0.000 0.864 547 G HN 0.524 nan 8.290 nan 0.000 0.480 548 L N 1.285 122.192 121.223 -0.528 0.000 2.290 548 L HA 0.549 4.889 4.340 -0.000 0.000 0.284 548 L C 1.124 177.861 176.870 -0.221 0.000 1.078 548 L CA -0.651 53.912 54.840 -0.461 0.000 0.815 548 L CB 1.314 43.034 42.059 -0.565 0.000 1.162 548 L HN 0.683 nan 8.230 nan 0.000 0.435 549 A N 2.571 125.317 122.820 -0.123 0.000 2.327 549 A HA 0.223 4.543 4.320 -0.000 0.000 0.255 549 A C 0.458 178.018 177.584 -0.039 0.000 1.099 549 A CA -0.282 51.735 52.037 -0.033 0.000 0.801 549 A CB 0.580 19.571 19.000 -0.015 0.000 1.062 549 A HN 0.632 nan 8.150 nan 0.000 0.496 550 S N -0.069 115.625 115.700 -0.009 0.000 2.437 550 S HA 0.504 4.974 4.470 -0.000 0.000 0.304 550 S C 0.126 174.708 174.600 -0.030 0.000 1.167 550 S CA 0.451 58.632 58.200 -0.031 0.000 1.106 550 S CB -1.206 61.980 63.200 -0.024 0.000 1.099 550 S HN 1.823 nan 8.310 nan 0.000 0.524 551 A N 4.109 126.908 122.820 -0.036 0.000 2.809 551 A HA 0.796 5.116 4.320 -0.000 0.000 0.310 551 A C 0.929 178.499 177.584 -0.024 0.000 1.138 551 A CA -0.081 51.937 52.037 -0.031 0.000 0.610 551 A CB -0.525 18.449 19.000 -0.043 0.000 1.432 551 A HN 1.145 nan 8.150 nan 0.000 0.597 552 A N -0.405 122.386 122.820 -0.048 0.000 1.917 552 A HA 0.048 4.368 4.320 -0.000 0.000 0.219 552 A C -0.499 177.063 177.584 -0.036 0.000 1.182 552 A CA 2.611 54.618 52.037 -0.050 0.000 0.633 552 A CB -1.824 17.113 19.000 -0.104 0.000 0.819 552 A HN 0.476 nan 8.150 nan 0.000 0.448 553 P HA -0.047 nan 4.420 nan 0.000 0.228 553 P C 0.723 178.069 177.300 0.076 0.000 1.151 553 P CA 1.675 64.773 63.100 -0.003 0.000 0.770 553 P CB -0.074 31.617 31.700 -0.015 0.000 0.786 554 T N -6.575 108.002 114.554 0.040 0.000 3.293 554 T HA 0.188 4.538 4.350 -0.000 0.000 0.276 554 T C 1.138 175.979 174.700 0.235 0.000 1.003 554 T CA -0.223 61.929 62.100 0.087 0.000 0.916 554 T CB -0.935 67.930 68.868 -0.004 0.000 1.134 554 T HN -0.155 nan 8.240 nan 0.000 0.530 555 T N 2.166 116.831 114.554 0.185 0.000 2.759 555 T HA 0.018 4.368 4.350 -0.000 0.000 0.269 555 T C 0.691 175.573 174.700 0.304 0.000 1.042 555 T CA 1.010 63.240 62.100 0.215 0.000 1.140 555 T CB -0.042 68.878 68.868 0.086 0.000 0.864 555 T HN 0.504 nan 8.240 nan 0.000 0.455 556 S N -0.089 115.750 115.700 0.231 0.000 2.548 556 S HA 0.355 4.825 4.470 -0.000 0.000 0.286 556 S C 1.179 175.869 174.600 0.150 0.000 1.098 556 S CA -0.641 57.639 58.200 0.133 0.000 0.930 556 S CB 2.026 65.254 63.200 0.046 0.000 1.070 556 S HN 0.384 nan 8.310 nan 0.000 0.480 557 S N 1.465 117.175 115.700 0.016 0.000 2.419 557 S HA -0.146 4.324 4.470 -0.000 0.000 0.233 557 S C 1.925 176.498 174.600 -0.045 0.000 1.016 557 S CA 1.361 59.549 58.200 -0.020 0.000 0.974 557 S CB -0.678 62.370 63.200 -0.252 0.000 0.786 557 S HN 0.802 nan 8.310 nan 0.000 0.492 558 S N 2.166 117.857 115.700 -0.015 0.000 2.399 558 S HA -0.039 4.431 4.470 -0.000 0.000 0.231 558 S C 1.881 176.477 174.600 -0.007 0.000 1.022 558 S CA 1.240 59.438 58.200 -0.004 0.000 0.983 558 S CB -0.732 62.480 63.200 0.021 0.000 0.803 558 S HN 0.548 nan 8.310 nan 0.000 0.480 559 M N 0.865 120.477 119.600 0.020 0.000 2.156 559 M HA 0.155 4.635 4.480 -0.000 0.000 0.264 559 M C 2.157 178.333 176.300 -0.206 0.000 1.067 559 M CA 1.281 56.628 55.300 0.079 0.000 1.131 559 M CB -0.566 32.149 32.600 0.192 0.000 1.368 559 M HN 0.266 nan 8.290 nan 0.000 0.416 560 I N -0.155 120.241 120.570 -0.290 0.000 2.226 560 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 560 I C 2.695 178.306 176.117 -0.843 0.000 1.100 560 I CA 1.269 62.175 61.300 -0.657 0.000 1.374 560 I CB -0.518 37.168 38.000 -0.524 0.000 1.057 560 I HN 0.326 nan 8.210 nan 0.000 0.413 561 R N 1.384 121.603 120.500 -0.468 0.000 2.083 561 R HA -0.182 4.158 4.340 -0.000 0.000 0.237 561 R C 2.433 178.551 176.300 -0.303 0.000 1.137 561 R CA 1.612 57.499 56.100 -0.354 0.000 0.951 561 R CB -0.154 30.134 30.300 -0.021 0.000 0.851 561 R HN 0.266 nan 8.270 nan 0.000 0.434 562 R N -0.273 120.105 120.500 -0.203 0.000 2.115 562 R HA -0.041 4.299 4.340 -0.000 0.000 0.230 562 R C 2.291 178.448 176.300 -0.239 0.000 1.111 562 R CA 1.101 57.148 56.100 -0.089 0.000 0.976 562 R CB -0.199 30.151 30.300 0.084 0.000 0.870 562 R HN 0.304 nan 8.270 nan 0.000 0.445 563 A N 0.746 123.150 122.820 -0.693 0.000 1.898 563 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 563 A C 1.720 179.225 177.584 -0.131 0.000 1.181 563 A CA 1.053 52.592 52.037 -0.830 0.000 0.620 563 A CB -0.425 17.654 19.000 -1.535 0.000 0.819 563 A HN 0.142 nan 8.150 nan 0.000 0.442 564 F N 0.428 120.153 119.950 -0.374 0.000 2.186 564 F HA -0.055 4.472 4.527 -0.000 0.000 0.299 564 F C 2.332 178.038 175.800 -0.157 0.000 1.090 564 F CA 1.032 58.817 58.000 -0.358 0.000 1.307 564 F CB -1.014 37.396 39.000 -0.982 0.000 1.019 564 F HN 0.368 nan 8.300 nan 0.000 0.489 565 E N -0.142 120.100 120.200 0.069 0.000 2.153 565 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 565 E C 2.335 179.036 176.600 0.168 0.000 0.988 565 E CA 1.006 57.529 56.400 0.204 0.000 0.811 565 E CB -0.239 29.578 29.700 0.194 0.000 0.746 565 E HN 0.301 nan 8.360 nan 0.000 0.466 566 A N -0.010 122.901 122.820 0.152 0.000 2.014 566 A HA 0.090 4.410 4.320 -0.000 0.000 0.218 566 A C 1.863 179.519 177.584 0.120 0.000 1.163 566 A CA 1.366 53.498 52.037 0.159 0.000 0.652 566 A CB -0.095 19.049 19.000 0.238 0.000 0.808 566 A HN 0.385 nan 8.150 nan 0.000 0.449 567 G N -3.775 105.122 108.800 0.162 0.000 2.227 567 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.168 567 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.168 567 G C -0.233 174.733 174.900 0.110 0.000 1.006 567 G CA -0.345 44.816 45.100 0.101 0.000 0.684 567 G HN 0.299 nan 8.290 nan 0.000 0.489 568 W N 1.029 122.386 121.300 0.095 0.000 2.223 568 W HA 0.462 5.122 4.660 -0.000 0.000 0.334 568 W C 1.588 178.222 176.519 0.192 0.000 1.334 568 W CA 1.120 58.546 57.345 0.136 0.000 1.246 568 W CB 0.925 30.421 29.460 0.060 0.000 1.184 568 W HN 0.196 nan 8.180 nan 0.000 0.563 569 G N 2.492 111.550 108.800 0.431 0.000 2.408 569 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.217 569 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.217 569 G C -0.166 175.042 174.900 0.514 0.000 1.150 569 G CA 0.882 46.237 45.100 0.425 0.000 0.776 569 G HN 0.504 nan 8.290 nan 0.000 0.542 570 F N -2.387 117.841 119.950 0.464 0.000 2.745 570 F HA 0.816 5.343 4.527 -0.000 0.000 0.316 570 F C -0.723 175.394 175.800 0.529 0.000 1.155 570 F CA -1.547 56.727 58.000 0.455 0.000 0.937 570 F CB 1.216 40.496 39.000 0.466 0.000 1.361 570 F HN 0.258 nan 8.300 nan 0.000 0.472 571 A N 1.676 124.835 122.820 0.565 0.000 2.589 571 A HA 0.691 5.011 4.320 -0.000 0.000 0.296 571 A C -2.375 175.366 177.584 0.263 0.000 1.062 571 A CA -0.737 51.406 52.037 0.176 0.000 0.686 571 A CB 1.651 20.582 19.000 -0.115 0.000 1.282 571 A HN 0.801 nan 8.150 nan 0.000 0.404 572 L N 2.140 123.437 121.223 0.125 0.000 2.322 572 L HA 0.578 4.918 4.340 -0.000 0.000 0.279 572 L C 1.116 177.977 176.870 -0.015 0.000 1.036 572 L CA -0.055 54.855 54.840 0.115 0.000 0.807 572 L CB 1.570 43.691 42.059 0.103 0.000 1.226 572 L HN 1.059 nan 8.230 nan 0.000 0.433 573 T N -0.028 114.481 114.554 -0.075 0.000 2.868 573 T HA 0.233 4.583 4.350 -0.000 0.000 0.292 573 T C 0.141 174.581 174.700 -0.434 0.000 1.028 573 T CA -0.729 61.139 62.100 -0.388 0.000 1.059 573 T CB 1.257 69.777 68.868 -0.579 0.000 0.991 573 T HN 0.409 nan 8.240 nan 0.000 0.531 574 K N 1.195 121.221 120.400 -0.624 0.000 2.355 574 K HA 0.169 4.489 4.320 -0.000 0.000 0.270 574 K C -0.037 176.363 176.600 -0.334 0.000 1.003 574 K CA 0.056 56.175 56.287 -0.280 0.000 0.957 574 K CB -0.267 32.221 32.500 -0.020 0.000 0.939 574 K HN 0.717 nan 8.250 nan 0.000 0.482 575 T N 5.297 119.757 114.554 -0.156 0.000 2.871 575 T HA 0.200 4.550 4.350 -0.000 0.000 0.296 575 T C -0.187 174.464 174.700 -0.080 0.000 0.998 575 T CA 0.363 62.368 62.100 -0.157 0.000 1.162 575 T CB -0.570 68.246 68.868 -0.088 0.000 0.947 575 T HN 0.452 nan 8.240 nan 0.000 0.536 576 F N 0.416 120.248 119.950 -0.197 0.000 2.631 576 F HA 0.884 5.411 4.527 -0.000 0.000 0.328 576 F C 0.098 175.867 175.800 -0.052 0.000 1.067 576 F CA -1.275 56.676 58.000 -0.082 0.000 0.969 576 F CB 1.347 40.327 39.000 -0.033 0.000 1.332 576 F HN 0.568 nan 8.300 nan 0.000 0.490 577 S N 0.529 116.353 115.700 0.208 0.000 2.794 577 S HA 0.685 5.155 4.470 -0.000 0.000 0.299 577 S C -1.046 173.628 174.600 0.124 0.000 1.179 577 S CA -1.145 57.074 58.200 0.031 0.000 0.838 577 S CB 1.005 64.171 63.200 -0.057 0.000 1.206 577 S HN 0.863 nan 8.310 nan 0.000 0.523 578 L N 1.524 122.755 121.223 0.014 0.000 2.473 578 L HA 0.229 4.569 4.340 -0.000 0.000 0.268 578 L C 0.981 177.873 176.870 0.038 0.000 1.215 578 L CA -0.413 54.445 54.840 0.029 0.000 0.823 578 L CB 0.085 42.125 42.059 -0.031 0.000 1.099 578 L HN 0.714 nan 8.230 nan 0.000 0.483 579 D N 0.621 121.045 120.400 0.041 0.000 2.158 579 D HA -0.199 4.441 4.640 -0.000 0.000 0.197 579 D C 1.888 178.197 176.300 0.015 0.000 0.995 579 D CA 1.622 55.642 54.000 0.033 0.000 0.846 579 D CB -0.022 40.794 40.800 0.025 0.000 0.941 579 D HN 0.547 nan 8.370 nan 0.000 0.456 580 K N 0.212 120.613 120.400 0.001 0.000 2.360 580 K HA -0.095 4.225 4.320 -0.000 0.000 0.201 580 K C 0.313 176.909 176.600 -0.008 0.000 1.046 580 K CA 1.124 57.408 56.287 -0.006 0.000 0.945 580 K CB 0.123 32.614 32.500 -0.016 0.000 0.750 580 K HN -0.002 nan 8.250 nan 0.000 0.464 581 D N 1.296 121.690 120.400 -0.009 0.000 2.427 581 D HA 0.128 4.768 4.640 -0.000 0.000 0.224 581 D C 0.118 176.423 176.300 0.007 0.000 1.157 581 D CA -0.204 53.790 54.000 -0.010 0.000 0.828 581 D CB 0.201 40.980 40.800 -0.036 0.000 0.974 581 D HN 0.109 nan 8.370 nan 0.000 0.498 582 I N 2.112 122.692 120.570 0.016 0.000 2.880 582 I HA -0.089 4.081 4.170 -0.000 0.000 0.296 582 I C 0.984 177.112 176.117 0.018 0.000 1.220 582 I CA 0.311 61.626 61.300 0.025 0.000 1.435 582 I CB 0.035 38.046 38.000 0.018 0.000 1.339 582 I HN -0.155 nan 8.210 nan 0.000 0.583 583 V N 3.209 123.137 119.914 0.023 0.000 3.113 583 V HA 0.818 4.938 4.120 -0.000 0.000 0.316 583 V C -0.212 175.888 176.094 0.011 0.000 1.125 583 V CA -0.516 61.794 62.300 0.016 0.000 1.026 583 V CB 2.199 34.033 31.823 0.020 0.000 1.080 583 V HN 0.766 nan 8.190 nan 0.000 0.444 584 T N 2.530 117.087 114.554 0.005 0.000 2.937 584 T HA 0.456 4.806 4.350 -0.000 0.000 0.297 584 T C -0.515 174.183 174.700 -0.004 0.000 0.991 584 T CA -0.430 61.669 62.100 -0.001 0.000 0.990 584 T CB 0.974 69.840 68.868 -0.005 0.000 0.991 584 T HN 0.825 nan 8.240 nan 0.000 0.440 585 N N 1.596 120.292 118.700 -0.006 0.000 2.424 585 N HA 0.453 5.193 4.740 -0.000 0.000 0.257 585 N C 0.278 175.777 175.510 -0.017 0.000 1.250 585 N CA -0.265 52.778 53.050 -0.012 0.000 0.946 585 N CB 1.165 39.644 38.487 -0.013 0.000 1.175 585 N HN 0.524 nan 8.380 nan 0.000 0.477 586 V N -2.023 117.876 119.914 -0.025 0.000 3.177 586 V HA 0.878 4.998 4.120 -0.000 0.000 0.319 586 V C -0.018 176.053 176.094 -0.039 0.000 1.125 586 V CA -0.839 61.444 62.300 -0.029 0.000 1.029 586 V CB 1.533 33.335 31.823 -0.035 0.000 1.119 586 V HN 0.770 nan 8.190 nan 0.000 0.452 587 S N 0.317 115.994 115.700 -0.039 0.000 2.536 587 S HA 0.726 5.196 4.470 -0.000 0.000 0.271 587 S C -2.832 171.739 174.600 -0.048 0.000 1.134 587 S CA -1.011 57.162 58.200 -0.046 0.000 0.897 587 S CB 1.467 64.654 63.200 -0.022 0.000 1.094 587 S HN 1.032 nan 8.310 nan 0.000 0.473 588 P HA 0.403 nan 4.420 nan 0.000 0.272 588 P C -0.208 176.974 177.300 -0.197 0.000 1.230 588 P CA -0.567 62.440 63.100 -0.154 0.000 0.788 588 P CB 0.697 32.223 31.700 -0.290 0.000 0.949 589 R N 0.080 120.479 120.500 -0.168 0.000 2.551 589 R HA 0.411 4.751 4.340 -0.000 0.000 0.316 589 R C 0.070 176.296 176.300 -0.124 0.000 0.934 589 R CA -0.190 55.825 56.100 -0.143 0.000 1.117 589 R CB 0.197 30.447 30.300 -0.084 0.000 1.626 589 R HN 0.278 nan 8.270 nan 0.000 0.513 590 I N 2.713 123.215 120.570 -0.115 0.000 2.478 590 I HA 0.405 4.575 4.170 -0.000 0.000 0.287 590 I C -0.582 175.533 176.117 -0.003 0.000 1.042 590 I CA -1.423 59.849 61.300 -0.047 0.000 1.067 590 I CB 2.334 40.309 38.000 -0.041 0.000 1.233 590 I HN -0.056 nan 8.210 nan 0.000 0.431 591 V N 3.078 123.021 119.914 0.049 0.000 3.001 591 V HA 0.683 4.803 4.120 -0.000 0.000 0.314 591 V C -0.192 176.064 176.094 0.270 0.000 1.099 591 V CA -1.074 61.309 62.300 0.138 0.000 0.989 591 V CB 1.897 33.677 31.823 -0.072 0.000 1.040 591 V HN 0.881 nan 8.190 nan 0.000 0.434 592 R N 1.882 122.536 120.500 0.256 0.000 2.641 592 R HA 0.637 4.977 4.340 -0.000 0.000 0.269 592 R C 0.374 176.652 176.300 -0.037 0.000 1.074 592 R CA 0.157 56.270 56.100 0.022 0.000 1.133 592 R CB 0.307 30.610 30.300 0.006 0.000 1.029 592 R HN 1.159 nan 8.270 nan 0.000 0.488 593 G N -0.296 108.376 108.800 -0.212 0.000 2.476 593 G HA2 0.248 4.208 3.960 -0.000 0.000 0.269 593 G HA3 0.248 4.208 3.960 -0.000 0.000 0.269 593 G C 0.428 175.259 174.900 -0.114 0.000 1.195 593 G CA -0.490 44.535 45.100 -0.126 0.000 0.843 593 G HN 0.752 nan 8.290 nan 0.000 0.545 594 T N -2.666 111.851 114.554 -0.061 0.000 3.129 594 T HA 0.060 4.410 4.350 -0.000 0.000 0.267 594 T C 1.884 176.545 174.700 -0.066 0.000 1.018 594 T CA 0.612 62.672 62.100 -0.066 0.000 0.903 594 T CB -0.037 68.823 68.868 -0.014 0.000 1.067 594 T HN 0.546 nan 8.240 nan 0.000 0.549 595 T N 0.265 114.778 114.554 -0.069 0.000 3.025 595 T HA -0.045 4.305 4.350 -0.000 0.000 0.270 595 T C 1.513 176.177 174.700 -0.061 0.000 1.126 595 T CA 0.954 63.022 62.100 -0.054 0.000 1.105 595 T CB -0.506 68.333 68.868 -0.048 0.000 0.884 595 T HN 0.583 nan 8.240 nan 0.000 0.522 596 S N -0.477 115.171 115.700 -0.086 0.000 2.902 596 S HA 0.613 5.083 4.470 -0.000 0.000 0.250 596 S C 0.834 175.377 174.600 -0.094 0.000 1.046 596 S CA -0.215 57.937 58.200 -0.080 0.000 1.069 596 S CB -0.047 63.105 63.200 -0.080 0.000 0.967 596 S HN 1.216 nan 8.310 nan 0.000 0.530 597 G N 2.829 111.571 108.800 -0.097 0.000 2.760 597 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.246 597 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.246 597 G C -2.726 172.071 174.900 -0.172 0.000 1.359 597 G CA -0.470 44.570 45.100 -0.099 0.000 0.861 597 G HN 0.350 nan 8.290 nan 0.000 0.541 598 P HA 0.239 nan 4.420 nan 0.000 0.232 598 P C -0.294 176.860 177.300 -0.243 0.000 1.738 598 P CA 0.309 63.292 63.100 -0.194 0.000 0.948 598 P CB -0.131 31.604 31.700 0.059 0.000 1.943 599 M N 2.048 121.407 119.600 -0.401 0.000 2.114 599 M HA 0.322 4.802 4.480 -0.000 0.000 0.332 599 M C -0.408 175.651 176.300 -0.401 0.000 1.014 599 M CA -0.733 54.426 55.300 -0.235 0.000 0.956 599 M CB 0.880 33.394 32.600 -0.145 0.000 1.551 599 M HN 0.026 nan 8.290 nan 0.000 0.427 600 Y N 0.436 120.724 120.300 -0.019 0.000 2.496 600 Y HA 0.782 5.332 4.550 -0.000 0.000 0.331 600 Y C 1.183 177.080 175.900 -0.005 0.000 1.140 600 Y CA 0.259 58.351 58.100 -0.012 0.000 1.166 600 Y CB 1.493 39.948 38.460 -0.009 0.000 1.249 600 Y HN 0.935 nan 8.280 nan 0.000 0.479 601 G N 0.764 109.661 108.800 0.162 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 -2.771 172.169 174.900 0.067 0.000 1.201 601 G CA -0.851 44.310 45.100 0.102 0.000 0.962 601 G HN 0.601 nan 8.290 nan 0.000 0.586 602 P HA 0.374 nan 4.420 nan 0.000 0.269 602 P C 0.869 178.187 177.300 0.030 0.000 1.215 602 P CA 1.889 65.017 63.100 0.046 0.000 0.780 602 P CB 0.306 32.026 31.700 0.033 0.000 0.898 603 G N 0.692 109.519 108.800 0.045 0.000 2.295 603 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.287 603 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.287 603 G C 0.177 175.058 174.900 -0.031 0.000 1.055 603 G CA -0.280 44.837 45.100 0.028 0.000 0.922 603 G HN 0.604 nan 8.290 nan 0.000 0.503 604 Q N 0.155 119.906 119.800 -0.082 0.000 2.315 604 Q HA 0.235 4.575 4.340 -0.000 0.000 0.289 604 Q C 1.838 177.698 176.000 -0.234 0.000 1.044 604 Q CA 0.771 56.421 55.803 -0.254 0.000 0.920 604 Q CB 0.932 29.336 28.738 -0.556 0.000 1.214 604 Q HN 0.749 nan 8.270 nan 0.000 0.392 605 S N 0.371 115.950 115.700 -0.201 0.000 2.555 605 S HA 0.031 4.501 4.470 -0.000 0.000 0.230 605 S C 0.605 175.131 174.600 -0.123 0.000 0.978 605 S CA 0.413 58.542 58.200 -0.119 0.000 0.934 605 S CB 0.050 63.198 63.200 -0.087 0.000 0.766 605 S HN 0.642 nan 8.310 nan 0.000 0.533 606 S N -1.084 114.457 115.700 -0.264 0.000 2.656 606 S HA 0.705 5.175 4.470 -0.000 0.000 0.265 606 S C -1.611 172.729 174.600 -0.434 0.000 1.110 606 S CA -1.150 56.941 58.200 -0.182 0.000 0.821 606 S CB 0.163 63.327 63.200 -0.061 0.000 1.099 606 S HN 0.174 nan 8.310 nan 0.000 0.471 607 F N -0.045 119.920 119.950 0.024 0.000 2.626 607 F HA 0.814 5.341 4.527 -0.000 0.000 0.311 607 F C -0.747 175.062 175.800 0.015 0.000 1.088 607 F CA -0.855 57.158 58.000 0.022 0.000 0.949 607 F CB 2.055 41.066 39.000 0.018 0.000 1.322 607 F HN 0.786 nan 8.300 nan 0.000 0.461 608 L N 2.708 124.055 121.223 0.206 0.000 2.386 608 L HA 0.663 5.003 4.340 -0.000 0.000 0.271 608 L C -1.451 175.461 176.870 0.069 0.000 0.993 608 L CA -0.305 54.599 54.840 0.107 0.000 0.819 608 L CB 1.807 43.904 42.059 0.063 0.000 1.294 608 L HN 0.843 nan 8.230 nan 0.000 0.414 609 N N 3.541 122.265 118.700 0.041 0.000 2.284 609 N HA 0.536 5.276 4.740 -0.000 0.000 0.289 609 N C -0.617 174.889 175.510 -0.007 0.000 1.179 609 N CA -0.865 52.186 53.050 0.001 0.000 0.774 609 N CB 1.718 40.205 38.487 -0.001 0.000 1.548 609 N HN 0.614 nan 8.380 nan 0.000 0.473 610 I N -2.991 117.560 120.570 -0.031 0.000 3.326 610 I HA 0.430 4.600 4.170 -0.000 0.000 0.336 610 I C -0.098 176.005 176.117 -0.023 0.000 1.543 610 I CA -0.624 60.661 61.300 -0.024 0.000 1.013 610 I CB 0.142 38.114 38.000 -0.046 0.000 1.468 610 I HN 0.558 nan 8.210 nan 0.000 0.515 611 E N 1.887 122.076 120.200 -0.018 0.000 2.349 611 E HA 0.495 4.845 4.350 -0.000 0.000 0.265 611 E C -0.613 175.987 176.600 0.001 0.000 1.064 611 E CA -0.467 55.925 56.400 -0.013 0.000 0.886 611 E CB 1.279 30.970 29.700 -0.016 0.000 1.036 611 E HN 0.461 nan 8.360 nan 0.000 0.413 612 L N 3.395 124.622 121.223 0.005 0.000 2.687 612 L HA 0.453 4.793 4.340 -0.000 0.000 0.252 612 L C 0.914 177.797 176.870 0.022 0.000 1.115 612 L CA -1.168 53.681 54.840 0.014 0.000 0.893 612 L CB 0.258 42.326 42.059 0.014 0.000 1.670 612 L HN 0.617 nan 8.230 nan 0.000 0.531 613 I N -2.269 118.318 120.570 0.027 0.000 3.473 613 I HA 0.131 4.301 4.170 -0.000 0.000 0.251 613 I C 0.814 176.972 176.117 0.068 0.000 1.240 613 I CA -0.312 61.009 61.300 0.035 0.000 1.030 613 I CB 0.398 38.413 38.000 0.025 0.000 1.541 613 I HN 0.464 nan 8.210 nan 0.000 0.805 614 S N 0.263 116.031 115.700 0.114 0.000 2.558 614 S HA -0.019 4.451 4.470 -0.000 0.000 0.291 614 S C 0.775 175.474 174.600 0.166 0.000 1.306 614 S CA -0.016 58.307 58.200 0.204 0.000 1.056 614 S CB 0.147 63.601 63.200 0.424 0.000 0.836 614 S HN 0.723 nan 8.310 nan 0.000 0.504 615 E N 2.240 122.507 120.200 0.111 0.000 2.478 615 E HA 0.067 4.417 4.350 -0.000 0.000 0.194 615 E C 0.039 176.650 176.600 0.017 0.000 1.045 615 E CA 0.301 56.729 56.400 0.047 0.000 0.868 615 E CB 0.282 29.983 29.700 0.002 0.000 0.885 615 E HN 0.530 nan 8.360 nan 0.000 0.505 616 K N 1.673 122.098 120.400 0.042 0.000 2.144 616 K HA 0.125 4.445 4.320 -0.000 0.000 0.270 616 K C 0.310 176.958 176.600 0.080 0.000 1.005 616 K CA -0.259 55.948 56.287 -0.134 0.000 0.932 616 K CB 1.195 33.336 32.500 -0.599 0.000 1.021 616 K HN -0.013 nan 8.250 nan 0.000 0.462 617 T N -1.239 113.317 114.554 0.004 0.000 2.856 617 T HA 0.121 4.471 4.350 -0.000 0.000 0.306 617 T C 1.368 176.166 174.700 0.162 0.000 1.062 617 T CA -0.242 61.919 62.100 0.102 0.000 1.083 617 T CB 1.244 70.140 68.868 0.045 0.000 0.984 617 T HN 0.590 nan 8.240 nan 0.000 0.542 618 A N 1.625 124.544 122.820 0.165 0.000 1.972 618 A HA 0.159 4.479 4.320 -0.000 0.000 0.219 618 A C 2.655 180.224 177.584 -0.024 0.000 1.169 618 A CA 1.777 53.862 52.037 0.082 0.000 0.635 618 A CB -1.505 17.649 19.000 0.257 0.000 0.810 618 A HN 1.258 nan 8.150 nan 0.000 0.446 619 A N -1.184 121.652 122.820 0.027 0.000 1.902 619 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 619 A C 2.138 179.700 177.584 -0.036 0.000 1.181 619 A CA 1.679 53.717 52.037 0.002 0.000 0.623 619 A CB -0.859 18.150 19.000 0.015 0.000 0.818 619 A HN 0.812 nan 8.150 nan 0.000 0.443 620 Y N -1.235 118.952 120.300 -0.188 0.000 2.114 620 Y HA -0.261 4.289 4.550 -0.000 0.000 0.284 620 Y C 2.169 177.843 175.900 -0.377 0.000 1.143 620 Y CA 1.964 59.879 58.100 -0.309 0.000 1.135 620 Y CB -0.543 37.656 38.460 -0.436 0.000 0.980 620 Y HN 0.426 nan 8.280 nan 0.000 0.499 621 W N -0.635 120.524 121.300 -0.236 0.000 2.358 621 W HA -0.193 4.467 4.660 -0.000 0.000 0.303 621 W C 2.683 178.942 176.519 -0.434 0.000 1.208 621 W CA 1.230 58.286 57.345 -0.482 0.000 1.274 621 W CB -0.758 28.117 29.460 -0.975 0.000 1.138 621 W HN 0.117 nan 8.180 nan 0.000 0.515 622 C N -1.123 118.090 119.300 -0.144 0.000 2.446 622 C HA -0.193 4.267 4.460 -0.000 0.000 0.277 622 C C 2.637 177.595 174.990 -0.054 0.000 1.275 622 C CA 1.255 60.248 59.018 -0.043 0.000 1.727 622 C CB -1.265 26.476 27.740 0.001 0.000 2.010 622 C HN 0.430 nan 8.230 nan 0.000 0.486 623 Q N 0.791 120.519 119.800 -0.119 0.000 2.119 623 Q HA -0.161 4.179 4.340 -0.000 0.000 0.201 623 Q C 2.204 178.110 176.000 -0.156 0.000 0.972 623 Q CA 1.785 57.514 55.803 -0.122 0.000 0.847 623 Q CB -0.069 28.581 28.738 -0.146 0.000 0.903 623 Q HN 0.618 nan 8.270 nan 0.000 0.433 624 S N -0.223 115.305 115.700 -0.288 0.000 2.368 624 S HA -0.125 4.345 4.470 -0.000 0.000 0.225 624 S C 1.934 176.505 174.600 -0.050 0.000 1.030 624 S CA 1.274 59.305 58.200 -0.281 0.000 0.999 624 S CB -0.192 62.673 63.200 -0.558 0.000 0.844 624 S HN 0.256 nan 8.310 nan 0.000 0.459 625 V N 1.713 121.645 119.914 0.029 0.000 2.343 625 V HA -0.178 3.942 4.120 -0.000 0.000 0.247 625 V C 2.503 178.654 176.094 0.094 0.000 1.051 625 V CA 2.055 64.425 62.300 0.115 0.000 1.036 625 V CB -1.317 30.596 31.823 0.150 0.000 0.654 625 V HN 0.507 nan 8.190 nan 0.000 0.451 626 T N -0.311 114.273 114.554 0.049 0.000 2.746 626 T HA -0.218 4.132 4.350 -0.000 0.000 0.267 626 T C 1.795 176.524 174.700 0.048 0.000 1.039 626 T CA 1.815 63.941 62.100 0.044 0.000 1.142 626 T CB -0.234 68.644 68.868 0.017 0.000 0.866 626 T HN 0.611 nan 8.240 nan 0.000 0.444 627 E N 0.753 120.972 120.200 0.030 0.000 2.051 627 E HA -0.058 4.292 4.350 -0.000 0.000 0.192 627 E C 2.284 178.958 176.600 0.124 0.000 0.991 627 E CA 0.923 57.349 56.400 0.043 0.000 0.799 627 E CB -0.321 29.381 29.700 0.003 0.000 0.748 627 E HN 0.394 nan 8.360 nan 0.000 0.449 628 L N 0.978 122.307 121.223 0.176 0.000 2.046 628 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 628 L C 2.455 179.551 176.870 0.375 0.000 1.077 628 L CA 1.040 56.092 54.840 0.353 0.000 0.747 628 L CB -0.375 41.874 42.059 0.318 0.000 0.896 628 L HN 0.024 nan 8.230 nan 0.000 0.432 629 K N 0.051 120.589 120.400 0.230 0.000 2.148 629 K HA -0.066 4.254 4.320 -0.000 0.000 0.204 629 K C 2.138 178.801 176.600 0.105 0.000 1.050 629 K CA 1.272 57.659 56.287 0.167 0.000 0.942 629 K CB -0.180 32.389 32.500 0.116 0.000 0.724 629 K HN 0.290 nan 8.250 nan 0.000 0.446 630 A N 1.629 124.497 122.820 0.080 0.000 1.929 630 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 630 A C 1.522 179.088 177.584 -0.030 0.000 1.176 630 A CA 1.593 53.644 52.037 0.022 0.000 0.628 630 A CB -0.122 18.886 19.000 0.013 0.000 0.816 630 A HN 0.143 nan 8.150 nan 0.000 0.444 631 D N -1.693 118.682 120.400 -0.043 0.000 2.305 631 D HA 0.121 4.761 4.640 -0.000 0.000 0.206 631 D C -0.477 175.449 176.300 -0.624 0.000 0.974 631 D CA 0.708 54.518 54.000 -0.316 0.000 0.871 631 D CB 0.062 40.642 40.800 -0.367 0.000 0.947 631 D HN 0.428 nan 8.370 nan 0.000 0.516 632 F N 0.647 120.626 119.950 0.049 0.000 2.584 632 F HA 0.256 4.783 4.527 -0.000 0.000 0.328 632 F C -1.663 174.098 175.800 -0.065 0.000 1.407 632 F CA -1.713 56.282 58.000 -0.009 0.000 1.145 632 F CB 1.648 40.646 39.000 -0.003 0.000 1.440 632 F HN -0.197 nan 8.300 nan 0.000 0.580 633 P HA -0.163 nan 4.420 nan 0.000 0.219 633 P C 0.578 177.868 177.300 -0.018 0.000 1.146 633 P CA 1.526 64.633 63.100 0.012 0.000 0.808 633 P CB 0.496 32.191 31.700 -0.009 0.000 0.779 634 D N -0.735 119.652 120.400 -0.022 0.000 2.348 634 D HA 0.027 4.667 4.640 -0.000 0.000 0.211 634 D C 0.180 176.411 176.300 -0.115 0.000 0.998 634 D CA 0.390 54.358 54.000 -0.052 0.000 0.873 634 D CB -0.305 40.483 40.800 -0.020 0.000 0.925 634 D HN 0.285 nan 8.370 nan 0.000 0.524 635 N N 0.835 119.414 118.700 -0.201 0.000 2.455 635 N HA 0.155 4.895 4.740 -0.000 0.000 0.280 635 N C -0.170 175.149 175.510 -0.319 0.000 1.055 635 N CA -0.381 52.398 53.050 -0.453 0.000 0.961 635 N CB 1.572 39.290 38.487 -1.282 0.000 1.121 635 N HN -0.119 nan 8.380 nan 0.000 0.476 636 I N 2.376 122.843 120.570 -0.172 0.000 2.471 636 I HA 0.131 4.301 4.170 -0.000 0.000 0.286 636 I C -0.111 176.138 176.117 0.220 0.000 1.079 636 I CA -0.317 60.946 61.300 -0.063 0.000 1.398 636 I CB 0.432 38.236 38.000 -0.328 0.000 1.403 636 I HN 0.212 nan 8.210 nan 0.000 0.530 637 V N 8.177 128.221 119.914 0.217 0.000 2.409 637 V HA 0.452 4.572 4.120 -0.000 0.000 0.291 637 V C 0.165 176.413 176.094 0.256 0.000 1.020 637 V CA -0.533 61.960 62.300 0.322 0.000 0.848 637 V CB 1.929 33.938 31.823 0.309 0.000 0.990 637 V HN 0.418 nan 8.190 nan 0.000 0.430 638 I N 4.116 124.861 120.570 0.292 0.000 2.362 638 I HA 0.640 4.810 4.170 -0.000 0.000 0.289 638 I C 0.497 176.737 176.117 0.205 0.000 0.994 638 I CA -0.615 60.839 61.300 0.257 0.000 1.158 638 I CB 1.838 40.035 38.000 0.328 0.000 1.315 638 I HN 0.641 nan 8.210 nan 0.000 0.451 639 A N 4.674 127.603 122.820 0.182 0.000 2.309 639 A HA 0.432 4.752 4.320 -0.000 0.000 0.290 639 A C 0.120 177.723 177.584 0.032 0.000 1.206 639 A CA -0.207 51.933 52.037 0.172 0.000 0.850 639 A CB 0.645 19.806 19.000 0.268 0.000 1.118 639 A HN 0.660 nan 8.150 nan 0.000 0.523 640 S N 2.779 118.438 115.700 -0.068 0.000 2.475 640 S HA 0.647 5.117 4.470 -0.000 0.000 0.281 640 S C -0.181 174.165 174.600 -0.423 0.000 1.198 640 S CA -0.571 57.548 58.200 -0.135 0.000 1.063 640 S CB -0.378 62.768 63.200 -0.090 0.000 0.972 640 S HN 0.810 nan 8.310 nan 0.000 0.486 641 I N 2.211 122.585 120.570 -0.325 0.000 2.934 641 I HA 0.731 4.901 4.170 -0.000 0.000 0.306 641 I C -0.899 175.087 176.117 -0.218 0.000 1.110 641 I CA -1.217 59.788 61.300 -0.491 0.000 1.019 641 I CB 2.310 40.018 38.000 -0.486 0.000 1.227 641 I HN 0.673 nan 8.210 nan 0.000 0.434 642 M N 4.102 123.476 119.600 -0.377 0.000 2.371 642 M HA 0.676 5.156 4.480 -0.000 0.000 0.287 642 M C -2.083 173.805 176.300 -0.686 0.000 1.149 642 M CA -0.017 55.048 55.300 -0.391 0.000 0.929 642 M CB 1.957 34.480 32.600 -0.128 0.000 1.683 642 M HN 0.950 nan 8.290 nan 0.000 0.470 643 C N 0.839 119.471 119.300 -1.114 0.000 3.080 643 C HA 0.794 5.254 4.460 -0.000 0.000 0.307 643 C C 0.284 175.058 174.990 -0.360 0.000 1.311 643 C CA -0.696 57.761 59.018 -0.935 0.000 1.533 643 C CB 2.274 29.033 27.740 -1.635 0.000 1.970 643 C HN 0.976 nan 8.230 nan 0.000 0.467 644 S N 0.072 115.689 115.700 -0.138 0.000 2.634 644 S HA 0.264 4.734 4.470 -0.000 0.000 0.261 644 S C -0.449 174.374 174.600 0.371 0.000 1.271 644 S CA -0.135 58.146 58.200 0.134 0.000 0.985 644 S CB 0.010 63.264 63.200 0.089 0.000 0.968 644 S HN 0.724 nan 8.310 nan 0.000 0.568 645 Y N 2.690 123.208 120.300 0.364 0.000 2.518 645 Y HA 0.276 4.826 4.550 -0.000 0.000 0.337 645 Y C 0.188 176.344 175.900 0.427 0.000 1.261 645 Y CA -0.324 58.098 58.100 0.537 0.000 1.856 645 Y CB -0.969 37.801 38.460 0.517 0.000 1.798 645 Y HN 0.740 nan 8.280 nan 0.000 0.440 646 N N 3.883 122.702 118.700 0.198 0.000 2.454 646 N HA 0.100 4.840 4.740 -0.000 0.000 0.291 646 N C 0.482 175.717 175.510 -0.459 0.000 1.079 646 N CA -0.355 52.588 53.050 -0.178 0.000 0.893 646 N CB 1.543 39.976 38.487 -0.090 0.000 1.512 646 N HN 0.575 nan 8.380 nan 0.000 0.497 647 K N 3.079 122.771 120.400 -1.181 0.000 2.009 647 K HA -0.116 4.204 4.320 -0.000 0.000 0.210 647 K C 0.997 177.259 176.600 -0.564 0.000 1.049 647 K CA 1.502 56.891 56.287 -1.496 0.000 0.929 647 K CB 0.093 31.609 32.500 -1.641 0.000 0.714 647 K HN 0.478 nan 8.250 nan 0.000 0.440 648 N N 1.371 119.839 118.700 -0.386 0.000 2.104 648 N HA -0.160 4.580 4.740 -0.000 0.000 0.190 648 N C 1.338 176.768 175.510 -0.133 0.000 1.024 648 N CA 1.515 54.440 53.050 -0.208 0.000 0.853 648 N CB -0.467 37.922 38.487 -0.163 0.000 1.008 648 N HN 0.300 nan 8.380 nan 0.000 0.424 649 D N -0.145 120.169 120.400 -0.144 0.000 2.084 649 D HA -0.121 4.519 4.640 -0.000 0.000 0.194 649 D C 1.900 178.133 176.300 -0.111 0.000 0.990 649 D CA 0.788 54.702 54.000 -0.145 0.000 0.826 649 D CB -0.533 40.142 40.800 -0.208 0.000 0.971 649 D HN 0.344 nan 8.370 nan 0.000 0.453 650 W N 0.794 122.052 121.300 -0.071 0.000 2.342 650 W HA -0.082 4.578 4.660 -0.000 0.000 0.297 650 W C 2.622 179.114 176.519 -0.045 0.000 1.213 650 W CA 0.674 58.011 57.345 -0.014 0.000 1.251 650 W CB -0.275 29.258 29.460 0.123 0.000 1.136 650 W HN -0.040 nan 8.180 nan 0.000 0.526 651 M N -0.651 119.039 119.600 0.151 0.000 2.175 651 M HA -0.172 4.308 4.480 -0.000 0.000 0.264 651 M C 2.068 178.389 176.300 0.034 0.000 1.063 651 M CA 1.584 56.924 55.300 0.067 0.000 1.119 651 M CB -0.643 31.958 32.600 0.001 0.000 1.377 651 M HN 0.067 nan 8.290 nan 0.000 0.415 652 E N 0.809 121.013 120.200 0.006 0.000 2.028 652 E HA -0.226 4.124 4.350 -0.000 0.000 0.191 652 E C 1.965 178.577 176.600 0.019 0.000 0.988 652 E CA 1.129 57.529 56.400 0.001 0.000 0.799 652 E CB 0.022 29.709 29.700 -0.022 0.000 0.755 652 E HN 0.270 nan 8.360 nan 0.000 0.447 653 L N 1.016 122.240 121.223 0.002 0.000 2.056 653 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 653 L C 2.494 179.392 176.870 0.046 0.000 1.078 653 L CA 2.304 57.150 54.840 0.010 0.000 0.749 653 L CB -0.689 41.308 42.059 -0.103 0.000 0.901 653 L HN 0.219 nan 8.230 nan 0.000 0.433 654 S N -0.934 114.801 115.700 0.059 0.000 2.382 654 S HA -0.214 4.256 4.470 -0.000 0.000 0.228 654 S C 2.148 176.780 174.600 0.054 0.000 1.027 654 S CA 1.027 59.259 58.200 0.055 0.000 0.991 654 S CB -0.614 62.608 63.200 0.036 0.000 0.823 654 S HN 0.490 nan 8.310 nan 0.000 0.469 655 R N 1.254 121.783 120.500 0.049 0.000 2.092 655 R HA 0.079 4.419 4.340 -0.000 0.000 0.231 655 R C 2.576 178.915 176.300 0.066 0.000 1.119 655 R CA 1.351 57.479 56.100 0.048 0.000 0.970 655 R CB -0.251 30.070 30.300 0.034 0.000 0.864 655 R HN 0.500 nan 8.270 nan 0.000 0.440 656 K N 0.555 121.005 120.400 0.083 0.000 2.057 656 K HA -0.087 4.233 4.320 -0.000 0.000 0.206 656 K C 2.001 178.687 176.600 0.144 0.000 1.050 656 K CA 1.308 57.658 56.287 0.105 0.000 0.935 656 K CB -0.033 32.542 32.500 0.125 0.000 0.715 656 K HN 0.143 nan 8.250 nan 0.000 0.439 657 A N 1.378 124.308 122.820 0.185 0.000 1.898 657 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 657 A C 2.002 179.679 177.584 0.154 0.000 1.181 657 A CA 1.740 53.919 52.037 0.236 0.000 0.620 657 A CB -0.545 18.598 19.000 0.238 0.000 0.819 657 A HN 0.585 nan 8.150 nan 0.000 0.442 658 E N 0.033 120.297 120.200 0.107 0.000 2.077 658 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 658 E C 2.054 178.698 176.600 0.072 0.000 0.989 658 E CA 1.043 57.491 56.400 0.080 0.000 0.800 658 E CB -0.280 29.455 29.700 0.058 0.000 0.746 658 E HN 0.503 nan 8.360 nan 0.000 0.452 659 A N 0.942 123.803 122.820 0.069 0.000 2.019 659 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 659 A C 2.277 179.896 177.584 0.058 0.000 1.164 659 A CA 1.795 53.866 52.037 0.056 0.000 0.644 659 A CB -0.667 18.363 19.000 0.050 0.000 0.805 659 A HN 0.449 nan 8.150 nan 0.000 0.449 660 S N -1.947 113.799 115.700 0.076 0.000 2.515 660 S HA 0.322 4.792 4.470 -0.000 0.000 0.231 660 S C 1.412 176.055 174.600 0.071 0.000 0.987 660 S CA 1.188 59.431 58.200 0.071 0.000 0.936 660 S CB -0.308 62.947 63.200 0.091 0.000 0.766 660 S HN 1.919 nan 8.310 nan 0.000 0.528 661 G N 0.442 109.286 108.800 0.074 0.000 2.148 661 G HA2 0.031 3.991 3.960 -0.000 0.000 0.203 661 G HA3 0.031 3.991 3.960 -0.000 0.000 0.203 661 G C 0.184 175.134 174.900 0.085 0.000 0.993 661 G CA -0.189 44.952 45.100 0.069 0.000 0.661 661 G HN 1.208 nan 8.290 nan 0.000 0.518 662 A N 0.257 123.140 122.820 0.105 0.000 2.498 662 A HA 0.483 4.803 4.320 -0.000 0.000 0.239 662 A C 1.302 178.940 177.584 0.089 0.000 1.068 662 A CA 0.923 53.033 52.037 0.122 0.000 0.766 662 A CB 0.284 19.373 19.000 0.149 0.000 1.003 662 A HN 0.241 nan 8.150 nan 0.000 0.497 663 D N 0.636 121.087 120.400 0.085 0.000 2.183 663 D HA 0.195 4.835 4.640 -0.000 0.000 0.203 663 D C 0.824 177.152 176.300 0.047 0.000 0.969 663 D CA 1.987 56.013 54.000 0.044 0.000 0.842 663 D CB 0.173 40.977 40.800 0.006 0.000 0.957 663 D HN 0.762 nan 8.370 nan 0.000 0.484 664 A N -0.571 122.299 122.820 0.083 0.000 2.536 664 A HA 0.640 4.960 4.320 -0.000 0.000 0.293 664 A C -1.670 175.966 177.584 0.088 0.000 1.119 664 A CA -0.654 51.410 52.037 0.044 0.000 0.654 664 A CB 0.785 19.812 19.000 0.045 0.000 1.291 664 A HN 0.023 nan 8.150 nan 0.000 0.439 665 L N 0.034 121.285 121.223 0.047 0.000 2.341 665 L HA 0.730 5.070 4.340 -0.000 0.000 0.267 665 L C -0.232 176.732 176.870 0.157 0.000 1.009 665 L CA -0.516 54.385 54.840 0.101 0.000 0.819 665 L CB 2.167 44.271 42.059 0.075 0.000 1.323 665 L HN 0.881 nan 8.230 nan 0.000 0.425 666 E N 2.094 122.398 120.200 0.173 0.000 2.218 666 E HA 0.443 4.793 4.350 -0.000 0.000 0.263 666 E C -1.565 175.134 176.600 0.165 0.000 0.879 666 E CA -0.618 55.916 56.400 0.223 0.000 0.762 666 E CB 1.597 31.427 29.700 0.217 0.000 1.166 666 E HN 0.471 nan 8.360 nan 0.000 0.415 667 L N 4.364 125.703 121.223 0.194 0.000 2.260 667 L HA 0.310 4.650 4.340 -0.000 0.000 0.289 667 L C 0.397 177.386 176.870 0.200 0.000 1.057 667 L CA -0.678 54.285 54.840 0.206 0.000 0.811 667 L CB 0.529 42.619 42.059 0.051 0.000 1.184 667 L HN 0.444 nan 8.230 nan 0.000 0.429 668 N N 4.879 123.721 118.700 0.236 0.000 2.408 668 N HA 0.181 4.921 4.740 -0.000 0.000 0.257 668 N C -0.191 175.470 175.510 0.252 0.000 1.064 668 N CA -0.226 52.928 53.050 0.174 0.000 0.952 668 N CB 1.151 39.695 38.487 0.095 0.000 1.093 668 N HN 0.601 nan 8.380 nan 0.000 0.490 669 L N 2.713 124.042 121.223 0.177 0.000 2.978 669 L HA 0.196 4.536 4.340 -0.000 0.000 0.239 669 L C 1.165 178.118 176.870 0.139 0.000 1.293 669 L CA -0.175 54.771 54.840 0.177 0.000 1.085 669 L CB 0.050 42.165 42.059 0.093 0.000 1.432 669 L HN 0.397 nan 8.230 nan 0.000 0.512 670 S N -1.042 114.738 115.700 0.133 0.000 2.558 670 S HA -0.020 4.450 4.470 -0.000 0.000 0.217 670 S C 0.870 175.533 174.600 0.105 0.000 0.975 670 S CA -0.267 57.992 58.200 0.098 0.000 0.912 670 S CB -0.008 63.238 63.200 0.075 0.000 0.776 670 S HN 0.604 nan 8.310 nan 0.000 0.526 671 C N 4.435 123.819 119.300 0.141 0.000 2.648 671 C HA 0.313 4.773 4.460 -0.000 0.000 0.415 671 C C -2.418 172.662 174.990 0.149 0.000 1.366 671 C CA -2.002 57.099 59.018 0.139 0.000 1.756 671 C CB -0.353 27.487 27.740 0.166 0.000 2.549 671 C HN 0.220 nan 8.230 nan 0.000 0.597 672 P HA 0.173 nan 4.420 nan 0.000 0.269 672 P C -0.770 176.634 177.300 0.173 0.000 1.215 672 P CA 0.598 63.770 63.100 0.120 0.000 0.780 672 P CB 0.311 32.060 31.700 0.080 0.000 0.898 673 H N 0.915 120.005 119.070 0.033 0.000 3.046 673 H HA 0.436 4.992 4.556 -0.000 0.000 0.361 673 H C -0.365 174.958 175.328 -0.008 0.000 1.235 673 H CA -0.079 55.977 56.048 0.013 0.000 1.146 673 H CB 1.667 31.385 29.762 -0.074 0.000 1.859 673 H HN 0.689 nan 8.280 nan 0.000 0.548 674 G N 3.954 112.384 108.800 -0.617 0.000 2.912 674 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.246 674 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.246 674 G C 0.077 174.939 174.900 -0.063 0.000 0.352 674 G CA 0.406 45.331 45.100 -0.290 0.000 1.051 674 G HN 0.728 nan 8.290 nan 0.000 0.501 675 M N 3.180 122.745 119.600 -0.059 0.000 2.211 675 M HA 0.505 4.985 4.480 -0.000 0.000 0.356 675 M C 1.311 177.612 176.300 0.001 0.000 1.216 675 M CA 1.597 56.888 55.300 -0.015 0.000 1.134 675 M CB 0.528 33.119 32.600 -0.015 0.000 1.564 675 M HN 2.383 nan 8.290 nan 0.000 0.463 676 G N 4.649 113.457 108.800 0.014 0.000 2.662 676 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.236 676 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.236 676 G C -0.854 174.060 174.900 0.023 0.000 1.212 676 G CA -0.022 45.088 45.100 0.017 0.000 0.968 676 G HN 0.692 nan 8.290 nan 0.000 0.576 677 E N -1.026 119.186 120.200 0.021 0.000 2.435 677 E HA 0.798 5.148 4.350 -0.000 0.000 0.272 677 E C -0.171 176.441 176.600 0.020 0.000 1.031 677 E CA -0.923 55.490 56.400 0.021 0.000 0.872 677 E CB 2.016 31.726 29.700 0.016 0.000 1.588 677 E HN 0.545 nan 8.360 nan 0.000 0.460 678 R N -0.711 119.798 120.500 0.015 0.000 2.496 678 R HA 0.150 4.490 4.340 -0.000 0.000 0.090 678 R C 0.326 176.628 176.300 0.003 0.000 0.510 678 R CA 0.523 56.630 56.100 0.010 0.000 0.732 678 R CB 0.792 31.100 30.300 0.014 0.000 1.004 678 R HN 0.813 nan 8.270 nan 0.000 0.562 679 G N 1.465 110.267 108.800 0.004 0.000 2.850 679 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.207 679 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.207 679 G C 0.409 175.307 174.900 -0.003 0.000 1.302 679 G CA 0.022 45.122 45.100 -0.001 0.000 0.832 679 G HN 0.141 nan 8.290 nan 0.000 0.543 680 M N 3.166 122.762 119.600 -0.007 0.000 3.760 680 M HA 0.385 4.865 4.480 -0.000 0.000 0.176 680 M C 1.782 178.081 176.300 -0.002 0.000 1.614 680 M CA 0.848 56.140 55.300 -0.013 0.000 1.750 680 M CB -0.993 31.587 32.600 -0.033 0.000 1.202 680 M HN 1.218 nan 8.290 nan 0.000 0.518 681 G N 1.264 110.067 108.800 0.006 0.000 2.648 681 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.357 681 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.357 681 G C 0.513 175.432 174.900 0.032 0.000 1.342 681 G CA 0.904 46.014 45.100 0.016 0.000 0.978 681 G HN 0.614 nan 8.290 nan 0.000 0.532 682 L N 0.074 121.321 121.223 0.040 0.000 2.902 682 L HA 0.554 4.894 4.340 -0.000 0.000 0.254 682 L C 1.559 178.472 176.870 0.073 0.000 1.115 682 L CA 0.475 55.351 54.840 0.059 0.000 0.947 682 L CB 0.109 42.202 42.059 0.057 0.000 1.369 682 L HN 0.732 nan 8.230 nan 0.000 0.538 683 A N -0.646 122.207 122.820 0.056 0.000 2.316 683 A HA 0.245 4.565 4.320 -0.000 0.000 0.284 683 A C 1.155 178.758 177.584 0.031 0.000 1.115 683 A CA -0.401 51.673 52.037 0.062 0.000 0.812 683 A CB 0.674 19.709 19.000 0.058 0.000 1.064 683 A HN 0.276 nan 8.150 nan 0.000 0.489 684 C N 1.637 120.965 119.300 0.046 0.000 2.413 684 C HA -0.085 4.375 4.460 -0.000 0.000 0.277 684 C C 2.657 177.621 174.990 -0.044 0.000 1.265 684 C CA 1.350 60.346 59.018 -0.036 0.000 1.752 684 C CB -1.406 26.372 27.740 0.063 0.000 1.998 684 C HN 1.006 nan 8.230 nan 0.000 0.489 685 G N -0.731 108.076 108.800 0.011 0.000 2.625 685 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.214 685 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.214 685 G C 1.460 176.354 174.900 -0.010 0.000 1.132 685 G CA 0.260 45.363 45.100 0.005 0.000 0.782 685 G HN 0.730 nan 8.290 nan 0.000 0.538 686 Q N -0.548 119.241 119.800 -0.019 0.000 2.282 686 Q HA 0.107 4.447 4.340 -0.000 0.000 0.206 686 Q C -0.429 175.544 176.000 -0.045 0.000 0.878 686 Q CA -0.133 55.658 55.803 -0.021 0.000 0.944 686 Q CB 0.788 29.521 28.738 -0.008 0.000 1.100 686 Q HN 0.233 nan 8.270 nan 0.000 0.509 687 D N -0.055 120.297 120.400 -0.080 0.000 2.471 687 D HA 0.173 4.813 4.640 -0.000 0.000 0.245 687 D C -2.183 174.046 176.300 -0.119 0.000 1.116 687 D CA -2.211 51.723 54.000 -0.110 0.000 0.853 687 D CB 1.977 42.671 40.800 -0.178 0.000 1.123 687 D HN -0.226 nan 8.370 nan 0.000 0.540 688 P HA -0.160 nan 4.420 nan 0.000 0.216 688 P C 1.109 178.342 177.300 -0.111 0.000 1.153 688 P CA 1.071 64.120 63.100 -0.086 0.000 0.858 688 P CB 0.450 32.111 31.700 -0.066 0.000 0.789 689 E N -0.307 119.820 120.200 -0.122 0.000 2.077 689 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 689 E C 1.874 178.370 176.600 -0.174 0.000 0.989 689 E CA 0.995 57.317 56.400 -0.129 0.000 0.800 689 E CB -0.540 29.094 29.700 -0.111 0.000 0.746 689 E HN 0.137 nan 8.360 nan 0.000 0.452 690 L N 0.285 121.356 121.223 -0.254 0.000 2.056 690 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 690 L C 2.575 179.316 176.870 -0.215 0.000 1.078 690 L CA 0.655 55.302 54.840 -0.322 0.000 0.749 690 L CB -0.445 41.274 42.059 -0.566 0.000 0.901 690 L HN 0.096 nan 8.230 nan 0.000 0.433 691 V N 0.042 119.843 119.914 -0.189 0.000 2.343 691 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 691 V C 2.719 178.693 176.094 -0.201 0.000 1.051 691 V CA 1.941 64.140 62.300 -0.168 0.000 1.036 691 V CB -0.696 31.066 31.823 -0.101 0.000 0.654 691 V HN 0.453 nan 8.190 nan 0.000 0.451 692 R N 0.253 120.644 120.500 -0.182 0.000 2.073 692 R HA -0.181 4.159 4.340 -0.000 0.000 0.234 692 R C 2.254 178.377 176.300 -0.294 0.000 1.134 692 R CA 1.961 57.952 56.100 -0.181 0.000 0.952 692 R CB -0.264 29.953 30.300 -0.139 0.000 0.850 692 R HN 0.550 nan 8.270 nan 0.000 0.433 693 N N 0.715 119.173 118.700 -0.402 0.000 2.106 693 N HA -0.147 4.593 4.740 -0.000 0.000 0.188 693 N C 1.938 176.660 175.510 -1.313 0.000 1.029 693 N CA 1.459 54.051 53.050 -0.763 0.000 0.848 693 N CB -0.243 37.843 38.487 -0.668 0.000 1.007 693 N HN 0.290 nan 8.380 nan 0.000 0.423 694 I N 0.718 120.658 120.570 -1.050 0.000 2.163 694 I HA -0.302 3.868 4.170 -0.000 0.000 0.243 694 I C 2.174 177.881 176.117 -0.683 0.000 1.085 694 I CA 0.899 61.599 61.300 -1.001 0.000 1.347 694 I CB -0.304 37.194 38.000 -0.836 0.000 1.044 694 I HN 0.145 nan 8.210 nan 0.000 0.408 695 C N 0.564 119.607 119.300 -0.428 0.000 2.425 695 C HA -0.112 4.347 4.460 -0.000 0.000 0.277 695 C C 2.881 177.815 174.990 -0.093 0.000 1.280 695 C CA 0.666 59.606 59.018 -0.130 0.000 1.744 695 C CB -1.251 26.557 27.740 0.113 0.000 1.989 695 C HN 0.419 nan 8.230 nan 0.000 0.491 696 R N -0.418 119.957 120.500 -0.209 0.000 2.096 696 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 696 R C 2.160 178.457 176.300 -0.006 0.000 1.127 696 R CA 1.474 57.510 56.100 -0.108 0.000 0.968 696 R CB -0.305 29.895 30.300 -0.166 0.000 0.861 696 R HN 0.572 nan 8.270 nan 0.000 0.440 697 W N 0.384 121.603 121.300 -0.136 0.000 2.358 697 W HA -0.078 4.582 4.660 -0.000 0.000 0.303 697 W C 2.127 178.549 176.519 -0.162 0.000 1.208 697 W CA 0.261 57.528 57.345 -0.129 0.000 1.274 697 W CB -1.086 28.293 29.460 -0.135 0.000 1.138 697 W HN -0.133 nan 8.180 nan 0.000 0.515 698 V N 0.735 120.593 119.914 -0.093 0.000 2.358 698 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 698 V C 2.469 178.377 176.094 -0.310 0.000 1.047 698 V CA 2.158 64.254 62.300 -0.339 0.000 1.035 698 V CB -0.898 30.398 31.823 -0.879 0.000 0.658 698 V HN -0.023 nan 8.190 nan 0.000 0.452 699 R N 1.436 121.836 120.500 -0.167 0.000 2.105 699 R HA -0.209 4.131 4.340 -0.000 0.000 0.239 699 R C 2.304 178.654 176.300 0.083 0.000 1.135 699 R CA 2.091 58.281 56.100 0.150 0.000 0.967 699 R CB -0.531 29.931 30.300 0.269 0.000 0.861 699 R HN 0.780 nan 8.270 nan 0.000 0.442 700 Q N -1.637 118.199 119.800 0.060 0.000 2.451 700 Q HA 0.138 4.478 4.340 -0.000 0.000 0.206 700 Q C 1.408 177.433 176.000 0.041 0.000 0.947 700 Q CA 0.946 56.785 55.803 0.060 0.000 0.937 700 Q CB 0.219 29.003 28.738 0.077 0.000 1.025 700 Q HN 0.315 nan 8.270 nan 0.000 0.511 701 A N 1.234 124.069 122.820 0.024 0.000 1.997 701 A HA 0.280 4.599 4.320 -0.000 0.000 0.212 701 A C 1.062 178.655 177.584 0.014 0.000 1.178 701 A CA 0.698 52.744 52.037 0.016 0.000 0.698 701 A CB 0.307 19.316 19.000 0.015 0.000 0.842 701 A HN 0.334 nan 8.150 nan 0.000 0.458 702 V N -4.195 115.725 119.914 0.009 0.000 3.074 702 V HA 0.538 4.658 4.120 -0.000 0.000 0.314 702 V C 0.018 176.144 176.094 0.054 0.000 1.117 702 V CA -0.756 61.560 62.300 0.027 0.000 1.014 702 V CB 1.731 33.564 31.823 0.016 0.000 1.057 702 V HN 0.184 nan 8.190 nan 0.000 0.438 703 Q N 1.625 121.455 119.800 0.050 0.000 2.396 703 Q HA 0.338 4.678 4.340 -0.000 0.000 0.220 703 Q C 0.929 176.959 176.000 0.051 0.000 0.900 703 Q CA 0.735 56.568 55.803 0.051 0.000 0.925 703 Q CB 0.253 29.012 28.738 0.035 0.000 1.065 703 Q HN 0.939 nan 8.270 nan 0.000 0.535 704 I N 0.038 120.638 120.570 0.049 0.000 2.882 704 I HA 0.265 4.435 4.170 -0.000 0.000 0.286 704 I C -2.240 173.894 176.117 0.029 0.000 1.139 704 I CA -2.174 59.144 61.300 0.031 0.000 1.379 704 I CB -0.108 37.910 38.000 0.030 0.000 1.410 704 I HN -0.232 nan 8.210 nan 0.000 0.594 705 P HA 0.234 nan 4.420 nan 0.000 0.272 705 P C -1.126 175.971 177.300 -0.339 0.000 1.223 705 P CA 0.132 63.091 63.100 -0.235 0.000 0.784 705 P CB 0.354 31.889 31.700 -0.274 0.000 0.923 706 F N 0.127 119.685 119.950 -0.653 0.000 2.601 706 F HA 0.759 5.286 4.527 -0.000 0.000 0.309 706 F C -1.852 173.493 175.800 -0.760 0.000 1.089 706 F CA -1.363 56.250 58.000 -0.645 0.000 0.940 706 F CB 1.099 39.947 39.000 -0.254 0.000 1.273 706 F HN 0.023 nan 8.300 nan 0.000 0.450 707 F N 1.897 121.920 119.950 0.123 0.000 2.520 707 F HA 0.794 5.321 4.527 -0.000 0.000 0.322 707 F C 0.111 175.977 175.800 0.109 0.000 1.103 707 F CA -1.517 56.476 58.000 -0.012 0.000 0.926 707 F CB 1.955 40.920 39.000 -0.058 0.000 1.154 707 F HN 0.879 nan 8.300 nan 0.000 0.453 708 A N 2.807 125.770 122.820 0.239 0.000 2.289 708 A HA 0.477 4.797 4.320 -0.000 0.000 0.298 708 A C -0.182 177.484 177.584 0.136 0.000 1.208 708 A CA -0.719 51.424 52.037 0.177 0.000 0.845 708 A CB 0.373 19.453 19.000 0.134 0.000 1.125 708 A HN 0.767 nan 8.150 nan 0.000 0.517 709 K N 3.656 124.129 120.400 0.121 0.000 2.285 709 K HA 0.475 4.794 4.320 -0.000 0.000 0.286 709 K C -0.857 175.786 176.600 0.070 0.000 1.072 709 K CA -0.181 56.159 56.287 0.089 0.000 0.913 709 K CB 0.167 32.721 32.500 0.088 0.000 1.067 709 K HN 0.706 nan 8.250 nan 0.000 0.479 710 L N 2.739 123.996 121.223 0.057 0.000 2.357 710 L HA 0.311 4.651 4.340 -0.000 0.000 0.273 710 L C 0.649 177.545 176.870 0.043 0.000 1.080 710 L CA -0.760 54.108 54.840 0.048 0.000 0.803 710 L CB 1.545 43.633 42.059 0.049 0.000 1.174 710 L HN 0.607 nan 8.230 nan 0.000 0.443 711 T N 1.538 116.114 114.554 0.037 0.000 2.875 711 T HA 0.381 4.731 4.350 -0.000 0.000 0.284 711 T C -1.704 173.014 174.700 0.030 0.000 0.995 711 T CA -1.811 60.309 62.100 0.034 0.000 1.060 711 T CB 1.458 70.345 68.868 0.032 0.000 0.967 711 T HN 0.474 nan 8.240 nan 0.000 0.476 712 P HA 0.098 nan 4.420 nan 0.000 0.245 712 P C 0.050 177.360 177.300 0.017 0.000 1.206 712 P CA 0.077 63.194 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 1.381 120.089 118.700 0.013 0.000 3.243 713 N HA 0.137 4.877 4.740 -0.000 0.000 0.310 713 N C 0.209 175.718 175.510 -0.000 0.000 1.313 713 N CA 0.267 53.318 53.050 0.002 0.000 1.204 713 N CB 0.161 38.648 38.487 -0.000 0.000 1.483 713 N HN 0.178 nan 8.380 nan 0.000 0.553 714 V N -4.031 115.883 119.914 0.001 0.000 3.114 714 V HA 0.414 4.534 4.120 -0.000 0.000 0.308 714 V C 1.140 177.232 176.094 -0.003 0.000 1.168 714 V CA -0.848 61.450 62.300 -0.002 0.000 1.015 714 V CB 1.529 33.352 31.823 -0.001 0.000 1.050 714 V HN -0.027 nan 8.190 nan 0.000 0.433 715 T N 0.839 115.390 114.554 -0.006 0.000 2.737 715 T HA -0.046 4.304 4.350 -0.000 0.000 0.265 715 T C 0.451 175.149 174.700 -0.003 0.000 1.038 715 T CA 2.429 64.525 62.100 -0.006 0.000 1.144 715 T CB -0.246 68.616 68.868 -0.009 0.000 0.866 715 T HN 0.990 nan 8.240 nan 0.000 0.434 716 D N -0.134 120.263 120.400 -0.004 0.000 2.375 716 D HA 0.266 4.906 4.640 -0.000 0.000 0.259 716 D C 0.642 176.942 176.300 0.001 0.000 1.235 716 D CA -0.351 53.648 54.000 -0.002 0.000 0.924 716 D CB -0.017 40.779 40.800 -0.007 0.000 1.143 716 D HN 0.116 nan 8.370 nan 0.000 0.529 717 I N 2.821 123.397 120.570 0.010 0.000 2.454 717 I HA -0.189 3.981 4.170 -0.000 0.000 0.254 717 I C 1.266 177.395 176.117 0.019 0.000 1.156 717 I CA 0.806 62.116 61.300 0.017 0.000 1.433 717 I CB 0.413 38.429 38.000 0.028 0.000 1.082 717 I HN 0.274 nan 8.210 nan 0.000 0.432 718 V N 0.963 120.886 119.914 0.014 0.000 2.407 718 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 718 V C 2.641 178.732 176.094 -0.006 0.000 1.055 718 V CA 2.020 64.326 62.300 0.011 0.000 1.049 718 V CB -0.863 30.963 31.823 0.004 0.000 0.662 718 V HN 0.687 nan 8.190 nan 0.000 0.455 719 S N 0.241 115.934 115.700 -0.012 0.000 2.399 719 S HA -0.138 4.332 4.470 -0.000 0.000 0.231 719 S C 1.921 176.505 174.600 -0.028 0.000 1.022 719 S CA 1.367 59.551 58.200 -0.025 0.000 0.983 719 S CB -0.405 62.780 63.200 -0.026 0.000 0.803 719 S HN 0.438 nan 8.310 nan 0.000 0.480 720 I N 2.705 123.267 120.570 -0.014 0.000 2.286 720 I HA 0.038 4.208 4.170 -0.000 0.000 0.245 720 I C 3.080 179.202 176.117 0.008 0.000 1.104 720 I CA 1.055 62.349 61.300 -0.011 0.000 1.397 720 I CB -2.036 35.964 38.000 0.000 0.000 1.072 720 I HN 0.415 nan 8.210 nan 0.000 0.417 721 A N 1.091 123.930 122.820 0.033 0.000 1.902 721 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 721 A C 2.561 180.149 177.584 0.006 0.000 1.181 721 A CA 1.856 53.945 52.037 0.087 0.000 0.623 721 A CB -0.724 18.348 19.000 0.120 0.000 0.818 721 A HN 0.351 nan 8.150 nan 0.000 0.443 722 R N -0.462 120.003 120.500 -0.059 0.000 2.081 722 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 722 R C 2.265 178.489 176.300 -0.126 0.000 1.131 722 R CA 1.390 57.408 56.100 -0.138 0.000 0.960 722 R CB -0.388 29.849 30.300 -0.105 0.000 0.856 722 R HN 0.442 nan 8.270 nan 0.000 0.436 723 A N 0.574 123.346 122.820 -0.079 0.000 1.933 723 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 723 A C 2.303 179.846 177.584 -0.069 0.000 1.175 723 A CA 1.573 53.563 52.037 -0.078 0.000 0.628 723 A CB -0.636 18.321 19.000 -0.073 0.000 0.814 723 A HN 0.533 nan 8.150 nan 0.000 0.444 724 A N -0.258 122.546 122.820 -0.028 0.000 1.898 724 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 724 A C 2.127 179.721 177.584 0.016 0.000 1.181 724 A CA 1.890 53.944 52.037 0.028 0.000 0.620 724 A CB -0.418 18.651 19.000 0.115 0.000 0.819 724 A HN 0.535 nan 8.150 nan 0.000 0.442 725 K N -0.070 120.276 120.400 -0.090 0.000 2.057 725 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 725 K C 1.839 178.335 176.600 -0.174 0.000 1.049 725 K CA 1.645 57.768 56.287 -0.274 0.000 0.931 725 K CB -0.177 31.816 32.500 -0.846 0.000 0.714 725 K HN 0.622 nan 8.250 nan 0.000 0.440 726 E N -0.788 119.321 120.200 -0.151 0.000 2.204 726 E HA -0.128 4.222 4.350 -0.000 0.000 0.195 726 E C 1.825 178.384 176.600 -0.069 0.000 0.990 726 E CA 0.965 57.301 56.400 -0.107 0.000 0.821 726 E CB -0.059 29.582 29.700 -0.099 0.000 0.750 726 E HN 0.510 nan 8.360 nan 0.000 0.477 727 G N -0.141 108.625 108.800 -0.056 0.000 2.650 727 G HA2 0.070 4.030 3.960 -0.000 0.000 0.214 727 G HA3 0.070 4.030 3.960 -0.000 0.000 0.214 727 G C 1.075 176.000 174.900 0.042 0.000 1.136 727 G CA 0.449 45.529 45.100 -0.032 0.000 0.789 727 G HN 0.425 nan 8.290 nan 0.000 0.536 728 G N -1.556 107.260 108.800 0.027 0.000 2.192 728 G HA2 0.197 4.157 3.960 -0.000 0.000 0.193 728 G HA3 0.197 4.157 3.960 -0.000 0.000 0.193 728 G C 0.488 175.303 174.900 -0.142 0.000 0.999 728 G CA 0.149 45.271 45.100 0.037 0.000 0.659 728 G HN 1.215 nan 8.290 nan 0.000 0.503 729 A N 0.387 123.073 122.820 -0.224 0.000 2.483 729 A HA 0.495 4.815 4.320 -0.000 0.000 0.238 729 A C 1.054 178.419 177.584 -0.366 0.000 1.070 729 A CA 0.904 52.505 52.037 -0.726 0.000 0.770 729 A CB 0.254 19.140 19.000 -0.189 0.000 1.008 729 A HN 0.232 nan 8.150 nan 0.000 0.497 730 D N 0.720 120.760 120.400 -0.599 0.000 2.349 730 D HA 0.278 4.918 4.640 -0.000 0.000 0.215 730 D C 0.829 177.034 176.300 -0.158 0.000 1.016 730 D CA 1.479 55.330 54.000 -0.249 0.000 0.870 730 D CB 0.458 41.044 40.800 -0.356 0.000 0.917 730 D HN 0.810 nan 8.370 nan 0.000 0.524 731 G N -0.021 108.623 108.800 -0.259 0.000 2.321 731 G HA2 0.373 4.333 3.960 -0.000 0.000 0.296 731 G HA3 0.373 4.333 3.960 -0.000 0.000 0.296 731 G C -1.634 173.088 174.900 -0.297 0.000 1.287 731 G CA -0.251 44.420 45.100 -0.715 0.000 0.846 731 G HN 0.100 nan 8.290 nan 0.000 0.508 732 V N -3.188 116.513 119.914 -0.355 0.000 2.971 732 V HA 0.911 5.031 4.120 -0.000 0.000 0.309 732 V C -0.407 175.611 176.094 -0.126 0.000 1.130 732 V CA -0.752 61.498 62.300 -0.083 0.000 0.964 732 V CB 1.570 33.414 31.823 0.036 0.000 1.029 732 V HN 0.964 nan 8.190 nan 0.000 0.427 733 T N 3.279 117.810 114.554 -0.037 0.000 2.749 733 T HA 0.792 5.142 4.350 -0.000 0.000 0.287 733 T C -0.023 174.667 174.700 -0.016 0.000 0.970 733 T CA 0.239 62.303 62.100 -0.059 0.000 0.980 733 T CB 1.138 70.001 68.868 -0.008 0.000 0.924 733 T HN 1.442 nan 8.240 nan 0.000 0.456 734 A N 3.372 126.175 122.820 -0.029 0.000 2.332 734 A HA 0.804 5.124 4.320 -0.000 0.000 0.300 734 A C 0.267 177.852 177.584 0.001 0.000 1.153 734 A CA -0.756 51.287 52.037 0.010 0.000 0.764 734 A CB 0.890 19.912 19.000 0.036 0.000 1.174 734 A HN 0.841 nan 8.150 nan 0.000 0.467 735 T N -0.513 114.048 114.554 0.012 0.000 2.778 735 T HA 0.517 4.867 4.350 -0.000 0.000 0.293 735 T C -0.055 174.660 174.700 0.025 0.000 1.144 735 T CA -0.857 61.260 62.100 0.028 0.000 1.010 735 T CB 1.189 70.085 68.868 0.046 0.000 1.325 735 T HN 0.446 nan 8.240 nan 0.000 0.515 736 N N 0.406 119.126 118.700 0.033 0.000 2.332 736 N HA 0.315 5.055 4.740 -0.000 0.000 0.282 736 N C 0.300 175.832 175.510 0.037 0.000 1.288 736 N CA 0.262 53.332 53.050 0.034 0.000 0.949 736 N CB 0.905 39.415 38.487 0.039 0.000 1.108 736 N HN 0.976 nan 8.380 nan 0.000 0.542 737 T N -1.793 112.784 114.554 0.038 0.000 2.813 737 T HA 0.313 4.663 4.350 -0.000 0.000 0.297 737 T C 0.351 175.075 174.700 0.039 0.000 1.036 737 T CA -0.676 61.450 62.100 0.043 0.000 1.044 737 T CB 0.425 69.320 68.868 0.046 0.000 0.993 737 T HN 0.104 nan 8.240 nan 0.000 0.535 738 V N 2.225 122.163 119.914 0.039 0.000 2.439 738 V HA 0.381 4.501 4.120 -0.000 0.000 0.282 738 V C 0.820 176.926 176.094 0.020 0.000 1.039 738 V CA -0.703 61.613 62.300 0.026 0.000 0.913 738 V CB 1.376 33.215 31.823 0.026 0.000 0.983 738 V HN 1.124 nan 8.190 nan 0.000 0.460 739 S N 3.464 119.166 115.700 0.002 0.000 2.549 739 S HA 0.620 5.089 4.470 -0.000 0.000 0.283 739 S C 0.272 174.850 174.600 -0.035 0.000 1.320 739 S CA 0.465 58.659 58.200 -0.011 0.000 1.058 739 S CB 0.173 63.345 63.200 -0.047 0.000 0.882 739 S HN 1.234 nan 8.310 nan 0.000 0.498 740 G N 2.440 111.241 108.800 0.002 0.000 2.550 740 G HA2 0.511 4.471 3.960 -0.000 0.000 0.293 740 G HA3 0.511 4.471 3.960 -0.000 0.000 0.293 740 G C -2.236 172.730 174.900 0.110 0.000 1.402 740 G CA -0.738 44.366 45.100 0.008 0.000 0.784 740 G HN 0.761 nan 8.290 nan 0.000 0.482 741 L N 0.546 121.837 121.223 0.112 0.000 2.372 741 L HA 0.604 4.944 4.340 -0.000 0.000 0.274 741 L C 1.144 178.072 176.870 0.097 0.000 0.988 741 L CA -0.737 54.197 54.840 0.157 0.000 0.833 741 L CB 1.913 44.099 42.059 0.212 0.000 1.236 741 L HN 0.628 nan 8.230 nan 0.000 0.410 742 M N 2.990 122.643 119.600 0.089 0.000 2.296 742 M HA 0.402 4.882 4.480 -0.000 0.000 0.265 742 M C 0.649 177.002 176.300 0.089 0.000 1.064 742 M CA 1.139 56.486 55.300 0.079 0.000 1.109 742 M CB -0.345 32.305 32.600 0.084 0.000 1.396 742 M HN 0.688 nan 8.290 nan 0.000 0.430 743 G N -1.339 107.525 108.800 0.108 0.000 2.336 743 G HA2 0.394 4.354 3.960 -0.000 0.000 0.300 743 G HA3 0.394 4.354 3.960 -0.000 0.000 0.300 743 G C -2.084 172.889 174.900 0.122 0.000 1.375 743 G CA -0.969 44.194 45.100 0.103 0.000 0.885 743 G HN 0.227 nan 8.290 nan 0.000 0.599 744 L N 0.091 121.372 121.223 0.097 0.000 2.371 744 L HA 0.596 4.936 4.340 -0.000 0.000 0.262 744 L C 0.220 177.131 176.870 0.069 0.000 1.006 744 L CA -1.314 53.581 54.840 0.092 0.000 0.818 744 L CB 2.174 44.273 42.059 0.067 0.000 1.354 744 L HN 0.357 nan 8.230 nan 0.000 0.415 745 K N 0.527 120.964 120.400 0.061 0.000 2.120 745 K HA 0.292 4.612 4.320 -0.000 0.000 0.245 745 K C 0.890 177.501 176.600 0.019 0.000 1.024 745 K CA 0.089 56.391 56.287 0.025 0.000 0.906 745 K CB 1.026 33.532 32.500 0.009 0.000 1.051 745 K HN 0.770 nan 8.250 nan 0.000 0.491 746 A N 1.230 124.053 122.820 0.005 0.000 2.070 746 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 746 A C 1.163 178.751 177.584 0.006 0.000 1.159 746 A CA 1.981 54.021 52.037 0.004 0.000 0.656 746 A CB -0.458 18.540 19.000 -0.003 0.000 0.800 746 A HN 0.760 nan 8.150 nan 0.000 0.453 747 D N -2.427 117.977 120.400 0.006 0.000 2.340 747 D HA 0.277 4.917 4.640 -0.000 0.000 0.220 747 D C 1.160 177.469 176.300 0.016 0.000 1.039 747 D CA 0.887 54.892 54.000 0.008 0.000 0.866 747 D CB -0.498 40.305 40.800 0.005 0.000 0.913 747 D HN 0.714 nan 8.370 nan 0.000 0.523 748 G N 0.171 108.984 108.800 0.023 0.000 2.195 748 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.246 748 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.246 748 G C 0.498 175.421 174.900 0.040 0.000 0.984 748 G CA 0.395 45.513 45.100 0.029 0.000 0.633 748 G HN 0.776 nan 8.290 nan 0.000 0.525 749 T N 0.633 115.214 114.554 0.046 0.000 2.910 749 T HA 0.644 4.994 4.350 -0.000 0.000 0.293 749 T C -1.716 173.044 174.700 0.101 0.000 1.015 749 T CA -0.925 61.214 62.100 0.066 0.000 1.094 749 T CB 2.698 71.607 68.868 0.068 0.000 0.968 749 T HN 0.271 nan 8.240 nan 0.000 0.521 750 P HA 0.268 nan 4.420 nan 0.000 0.279 750 P C -1.162 176.318 177.300 0.299 0.000 1.276 750 P CA -0.864 62.328 63.100 0.154 0.000 0.801 750 P CB 1.113 32.862 31.700 0.082 0.000 1.127 751 W N 2.050 123.364 121.300 0.024 0.000 3.036 751 W HA 0.255 4.915 4.660 0.000 0.000 0.337 751 W C -2.683 173.859 176.519 0.038 0.000 1.055 751 W CA -2.233 55.130 57.345 0.031 0.000 1.248 751 W CB 2.271 31.753 29.460 0.036 0.000 1.335 751 W HN 0.274 nan 8.180 nan 0.000 0.446 752 P HA 0.254 nan 4.420 nan 0.000 0.271 752 P C -0.897 176.255 177.300 -0.247 0.000 1.218 752 P CA 0.076 62.660 63.100 -0.860 0.000 0.780 752 P CB 1.599 32.871 31.700 -0.714 0.000 0.901 753 A N 2.803 125.565 122.820 -0.095 0.000 2.319 753 A HA 0.527 4.847 4.320 -0.000 0.000 0.310 753 A C -0.641 176.961 177.584 0.031 0.000 1.152 753 A CA -0.661 51.427 52.037 0.085 0.000 0.783 753 A CB 1.021 20.180 19.000 0.266 0.000 1.184 753 A HN 0.316 nan 8.150 nan 0.000 0.474 754 V N 2.527 122.439 119.914 -0.003 0.000 2.398 754 V HA 0.758 4.878 4.120 -0.000 0.000 0.286 754 V C 0.864 176.965 176.094 0.012 0.000 1.026 754 V CA 0.775 63.070 62.300 -0.008 0.000 0.868 754 V CB 0.516 32.317 31.823 -0.036 0.000 0.982 754 V HN 2.089 nan 8.190 nan 0.000 0.443 755 G N 4.217 113.030 108.800 0.022 0.000 2.795 755 G HA2 0.160 4.120 3.960 -0.000 0.000 0.664 755 G HA3 0.160 4.120 3.960 -0.000 0.000 0.664 755 G C 0.739 175.657 174.900 0.031 0.000 1.381 755 G CA -0.062 45.051 45.100 0.022 0.000 0.853 755 G HN 1.456 nan 8.290 nan 0.000 0.545 756 A N -0.356 122.478 122.820 0.024 0.000 2.019 756 A HA 0.255 4.575 4.320 -0.000 0.000 0.219 756 A C 2.775 180.372 177.584 0.023 0.000 1.164 756 A CA 2.544 54.596 52.037 0.024 0.000 0.644 756 A CB -0.726 18.283 19.000 0.016 0.000 0.805 756 A HN 2.389 nan 8.150 nan 0.000 0.449 757 G N -1.246 107.565 108.800 0.018 0.000 2.598 757 G HA2 0.043 4.003 3.960 -0.000 0.000 0.215 757 G HA3 0.043 4.003 3.960 -0.000 0.000 0.215 757 G C 0.658 175.571 174.900 0.021 0.000 1.131 757 G CA 0.482 45.591 45.100 0.014 0.000 0.785 757 G HN 0.468 nan 8.290 nan 0.000 0.539 758 K N 0.068 120.488 120.400 0.032 0.000 3.150 758 K HA -0.171 4.149 4.320 -0.000 0.000 0.267 758 K C 0.175 176.794 176.600 0.032 0.000 1.028 758 K CA 0.633 56.950 56.287 0.049 0.000 0.753 758 K CB -1.174 31.363 32.500 0.061 0.000 1.288 758 K HN 0.511 nan 8.250 nan 0.000 0.473 759 R N -0.060 120.446 120.500 0.009 0.000 2.543 759 R HA 0.502 4.842 4.340 -0.000 0.000 0.268 759 R C 0.655 176.936 176.300 -0.031 0.000 1.067 759 R CA -0.301 55.791 56.100 -0.014 0.000 1.142 759 R CB 1.431 31.716 30.300 -0.024 0.000 1.110 759 R HN 0.208 nan 8.270 nan 0.000 0.549 760 T N -1.025 113.494 114.554 -0.058 0.000 2.731 760 T HA 0.373 4.723 4.350 -0.000 0.000 0.300 760 T C -1.359 173.262 174.700 -0.131 0.000 1.283 760 T CA -0.388 61.663 62.100 -0.082 0.000 1.005 760 T CB 2.086 70.915 68.868 -0.065 0.000 1.420 760 T HN 0.542 nan 8.240 nan 0.000 0.503 761 T N 0.213 114.681 114.554 -0.143 0.000 2.816 761 T HA 0.640 4.990 4.350 -0.000 0.000 0.299 761 T C -1.512 173.093 174.700 -0.158 0.000 1.230 761 T CA -0.453 61.518 62.100 -0.216 0.000 1.007 761 T CB 0.531 69.328 68.868 -0.118 0.000 1.289 761 T HN 0.435 nan 8.240 nan 0.000 0.508 762 Y N 1.061 121.361 120.300 -0.000 0.000 2.610 762 Y HA 0.464 5.014 4.550 -0.000 0.000 0.332 762 Y C 1.248 177.147 175.900 -0.001 0.000 1.201 762 Y CA 0.415 58.516 58.100 0.002 0.000 1.465 762 Y CB 0.202 38.667 38.460 0.008 0.000 1.283 762 Y HN 0.756 nan 8.280 nan 0.000 0.563 763 G N 0.497 109.400 108.800 0.171 0.000 2.820 763 G HA2 0.593 4.553 3.960 -0.000 0.000 0.291 763 G HA3 0.593 4.553 3.960 -0.000 0.000 0.291 763 G C -0.560 174.388 174.900 0.080 0.000 1.323 763 G CA -0.763 44.390 45.100 0.089 0.000 1.055 763 G HN 0.849 nan 8.290 nan 0.000 0.520 764 G N -1.040 107.795 108.800 0.059 0.000 2.368 764 G HA2 0.500 4.460 3.960 -0.000 0.000 0.320 764 G HA3 0.500 4.460 3.960 -0.000 0.000 0.320 764 G C -0.685 174.253 174.900 0.063 0.000 1.158 764 G CA -0.232 44.901 45.100 0.055 0.000 0.912 764 G HN 0.578 nan 8.290 nan 0.000 0.456 765 V N 2.114 122.064 119.914 0.061 0.000 2.465 765 V HA 0.619 4.739 4.120 -0.000 0.000 0.279 765 V C 0.556 176.699 176.094 0.082 0.000 1.045 765 V CA -0.362 61.980 62.300 0.071 0.000 0.938 765 V CB 0.879 32.733 31.823 0.051 0.000 0.986 765 V HN 1.003 nan 8.190 nan 0.000 0.467 766 S N 2.827 118.597 115.700 0.117 0.000 2.704 766 S HA 1.022 5.492 4.470 -0.000 0.000 0.296 766 S C -0.082 174.612 174.600 0.156 0.000 1.138 766 S CA -0.099 58.178 58.200 0.128 0.000 0.875 766 S CB 2.022 65.304 63.200 0.137 0.000 1.151 766 S HN 2.136 nan 8.310 nan 0.000 0.500 767 G N 0.351 109.242 108.800 0.153 0.000 2.566 767 G HA2 0.002 3.962 3.960 -0.000 0.000 0.599 767 G HA3 0.002 3.962 3.960 -0.000 0.000 0.599 767 G C 0.550 175.513 174.900 0.106 0.000 1.292 767 G CA 0.546 45.736 45.100 0.151 0.000 0.922 767 G HN 1.911 nan 8.290 nan 0.000 0.514 768 T N -1.757 112.851 114.554 0.089 0.000 2.897 768 T HA 0.167 4.517 4.350 -0.000 0.000 0.271 768 T C 2.562 177.299 174.700 0.061 0.000 1.084 768 T CA 2.455 64.604 62.100 0.081 0.000 1.123 768 T CB -0.339 68.567 68.868 0.065 0.000 0.865 768 T HN 2.094 nan 8.240 nan 0.000 0.496 769 A N 2.028 124.871 122.820 0.040 0.000 2.070 769 A HA 0.181 4.501 4.320 -0.000 0.000 0.220 769 A C 2.268 179.878 177.584 0.042 0.000 1.159 769 A CA 1.291 53.344 52.037 0.027 0.000 0.656 769 A CB -0.807 18.197 19.000 0.007 0.000 0.800 769 A HN 0.901 nan 8.150 nan 0.000 0.453 770 I N -4.667 115.941 120.570 0.063 0.000 3.956 770 I HA 0.273 4.443 4.170 -0.000 0.000 0.333 770 I C 1.769 177.948 176.117 0.104 0.000 1.302 770 I CA 0.089 61.431 61.300 0.071 0.000 1.122 770 I CB -0.002 38.040 38.000 0.071 0.000 1.013 770 I HN 0.157 nan 8.210 nan 0.000 0.405 771 R N 2.148 122.722 120.500 0.123 0.000 2.105 771 R HA -0.078 4.262 4.340 -0.000 0.000 0.239 771 R C -0.563 175.813 176.300 0.126 0.000 1.135 771 R CA 1.972 58.185 56.100 0.189 0.000 0.967 771 R CB -1.134 29.275 30.300 0.182 0.000 0.861 771 R HN 0.321 nan 8.270 nan 0.000 0.442 772 P HA -0.106 nan 4.420 nan 0.000 0.218 772 P C 1.023 178.344 177.300 0.036 0.000 1.149 772 P CA 1.238 64.353 63.100 0.025 0.000 0.817 772 P CB 0.022 31.733 31.700 0.018 0.000 0.785 773 I N -0.857 119.749 120.570 0.059 0.000 2.286 773 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 773 I C 2.318 178.489 176.117 0.090 0.000 1.104 773 I CA 1.283 62.618 61.300 0.059 0.000 1.397 773 I CB -0.779 37.252 38.000 0.053 0.000 1.072 773 I HN -0.100 nan 8.210 nan 0.000 0.417 774 A N 0.832 123.741 122.820 0.147 0.000 1.898 774 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 774 A C 2.333 180.090 177.584 0.287 0.000 1.181 774 A CA 1.270 53.449 52.037 0.236 0.000 0.620 774 A CB -0.805 18.386 19.000 0.318 0.000 0.819 774 A HN 0.358 nan 8.150 nan 0.000 0.442 775 L N -0.947 120.362 121.223 0.144 0.000 2.083 775 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 775 L C 2.847 179.696 176.870 -0.034 0.000 1.083 775 L CA 1.724 56.482 54.840 -0.136 0.000 0.752 775 L CB -0.357 41.499 42.059 -0.337 0.000 0.899 775 L HN 0.525 nan 8.230 nan 0.000 0.433 776 R N 0.090 120.594 120.500 0.006 0.000 2.081 776 R HA -0.183 4.157 4.340 -0.000 0.000 0.235 776 R C 2.269 178.591 176.300 0.037 0.000 1.131 776 R CA 1.472 57.581 56.100 0.014 0.000 0.960 776 R CB -0.242 30.070 30.300 0.019 0.000 0.856 776 R HN 0.329 nan 8.270 nan 0.000 0.436 777 A N 0.503 123.360 122.820 0.062 0.000 1.877 777 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 777 A C 2.306 179.936 177.584 0.077 0.000 1.186 777 A CA 1.704 53.782 52.037 0.068 0.000 0.620 777 A CB -0.693 18.354 19.000 0.078 0.000 0.822 777 A HN 0.235 nan 8.150 nan 0.000 0.443 778 V N 0.721 120.701 119.914 0.111 0.000 2.295 778 V HA -0.267 3.852 4.120 -0.000 0.000 0.246 778 V C 3.052 179.187 176.094 0.068 0.000 1.049 778 V CA 2.588 64.956 62.300 0.114 0.000 1.024 778 V CB -1.472 30.482 31.823 0.218 0.000 0.648 778 V HN 0.865 nan 8.190 nan 0.000 0.447 779 T N -1.317 113.261 114.554 0.041 0.000 2.821 779 T HA -0.221 4.129 4.350 -0.000 0.000 0.267 779 T C 1.938 176.655 174.700 0.028 0.000 1.046 779 T CA 2.059 64.174 62.100 0.024 0.000 1.139 779 T CB -0.907 67.963 68.868 0.003 0.000 0.871 779 T HN 0.641 nan 8.240 nan 0.000 0.454 780 T N 0.787 115.360 114.554 0.031 0.000 2.821 780 T HA 0.063 4.413 4.350 -0.000 0.000 0.267 780 T C 2.070 176.791 174.700 0.034 0.000 1.046 780 T CA 0.973 63.090 62.100 0.028 0.000 1.139 780 T CB -0.807 68.077 68.868 0.026 0.000 0.871 780 T HN 0.463 nan 8.240 nan 0.000 0.454 781 I N 1.870 122.470 120.570 0.049 0.000 2.252 781 I HA -0.029 4.141 4.170 -0.000 0.000 0.245 781 I C 3.252 179.413 176.117 0.074 0.000 1.102 781 I CA 1.079 62.420 61.300 0.069 0.000 1.385 781 I CB -0.636 37.419 38.000 0.093 0.000 1.064 781 I HN 0.342 nan 8.210 nan 0.000 0.414 782 A N 0.958 123.815 122.820 0.062 0.000 1.940 782 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 782 A C 2.386 179.993 177.584 0.037 0.000 1.176 782 A CA 1.578 53.647 52.037 0.054 0.000 0.631 782 A CB -0.540 18.484 19.000 0.039 0.000 0.814 782 A HN 0.342 nan 8.150 nan 0.000 0.446 783 R N -0.868 119.647 120.500 0.026 0.000 2.093 783 R HA 0.071 4.411 4.340 -0.000 0.000 0.224 783 R C 2.410 178.714 176.300 0.007 0.000 1.101 783 R CA 1.021 57.127 56.100 0.011 0.000 0.979 783 R CB -0.315 29.989 30.300 0.006 0.000 0.877 783 R HN 0.495 nan 8.270 nan 0.000 0.441 784 A N 0.799 123.626 122.820 0.011 0.000 1.930 784 A HA 0.057 4.377 4.320 -0.000 0.000 0.215 784 A C 1.138 178.715 177.584 -0.013 0.000 1.176 784 A CA 0.714 52.750 52.037 -0.002 0.000 0.632 784 A CB 0.173 19.172 19.000 -0.002 0.000 0.819 784 A HN 0.136 nan 8.150 nan 0.000 0.445 785 L N 0.722 121.950 121.223 0.009 0.000 2.581 785 L HA 0.294 4.633 4.340 -0.000 0.000 0.241 785 L C -2.793 174.112 176.870 0.058 0.000 1.265 785 L CA -1.920 52.919 54.840 -0.002 0.000 0.954 785 L CB 1.233 43.276 42.059 -0.028 0.000 1.269 785 L HN -0.016 nan 8.230 nan 0.000 0.475 786 P HA 0.043 nan 4.420 nan 0.000 0.261 786 P C 1.080 178.416 177.300 0.060 0.000 1.183 786 P CA 0.947 64.068 63.100 0.035 0.000 0.761 786 P CB 0.868 32.573 31.700 0.009 0.000 0.785 787 G N 2.655 111.495 108.800 0.067 0.000 2.234 787 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.260 787 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.260 787 G C 0.094 175.075 174.900 0.135 0.000 0.987 787 G CA -0.454 44.690 45.100 0.073 0.000 0.625 787 G HN 0.525 nan 8.290 nan 0.000 0.532 788 F N 3.888 123.824 119.950 -0.025 0.000 2.541 788 F HA 0.528 5.055 4.527 -0.000 0.000 0.378 788 F C -1.546 174.235 175.800 -0.032 0.000 1.068 788 F CA -2.770 55.215 58.000 -0.025 0.000 1.199 788 F CB 0.520 39.505 39.000 -0.025 0.000 1.091 788 F HN -0.052 nan 8.300 nan 0.000 0.555 789 P HA 0.117 nan 4.420 nan 0.000 0.262 789 P C -0.756 176.250 177.300 -0.490 0.000 1.182 789 P CA 0.614 63.492 63.100 -0.370 0.000 0.761 789 P CB 0.324 31.843 31.700 -0.303 0.000 0.795 790 I N 3.692 124.056 120.570 -0.343 0.000 2.499 790 I HA 0.253 4.423 4.170 -0.000 0.000 0.288 790 I C -0.676 175.248 176.117 -0.321 0.000 1.048 790 I CA -0.909 60.217 61.300 -0.291 0.000 1.062 790 I CB 1.723 39.643 38.000 -0.134 0.000 1.238 790 I HN 0.024 nan 8.210 nan 0.000 0.426 791 L N 6.110 127.120 121.223 -0.354 0.000 2.265 791 L HA 0.623 4.963 4.340 -0.000 0.000 0.289 791 L C 0.440 177.191 176.870 -0.198 0.000 1.033 791 L CA -0.038 54.602 54.840 -0.334 0.000 0.814 791 L CB 1.396 43.213 42.059 -0.403 0.000 1.203 791 L HN 0.639 nan 8.230 nan 0.000 0.423 792 A N 2.255 124.958 122.820 -0.195 0.000 2.316 792 A HA 0.776 5.096 4.320 -0.000 0.000 0.284 792 A C 0.152 177.546 177.584 -0.316 0.000 1.115 792 A CA -0.155 51.727 52.037 -0.257 0.000 0.812 792 A CB 0.794 19.577 19.000 -0.361 0.000 1.064 792 A HN 0.664 nan 8.150 nan 0.000 0.489 793 T N -0.774 113.583 114.554 -0.328 0.000 3.193 793 T HA 0.613 4.963 4.350 -0.000 0.000 0.332 793 T C -0.514 174.066 174.700 -0.201 0.000 1.208 793 T CA 0.420 62.376 62.100 -0.241 0.000 1.080 793 T CB 0.963 69.778 68.868 -0.089 0.000 1.180 793 T HN 2.480 nan 8.240 nan 0.000 0.469 794 G N 1.138 109.841 108.800 -0.162 0.000 2.220 794 G HA2 0.476 4.436 3.960 -0.000 0.000 0.221 794 G HA3 0.476 4.436 3.960 -0.000 0.000 0.221 794 G C 0.793 175.733 174.900 0.067 0.000 2.189 794 G CA 0.508 45.602 45.100 -0.009 0.000 1.153 794 G HN 2.256 nan 8.290 nan 0.000 0.621 795 G N -0.023 108.823 108.800 0.076 0.000 2.136 795 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.242 795 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.242 795 G C 0.514 175.492 174.900 0.131 0.000 0.989 795 G CA 0.310 45.486 45.100 0.127 0.000 0.682 795 G HN 1.397 nan 8.290 nan 0.000 0.522 796 I N 1.718 122.316 120.570 0.047 0.000 2.436 796 I HA 0.304 4.474 4.170 -0.000 0.000 0.289 796 I C 0.588 176.726 176.117 0.036 0.000 1.083 796 I CA 0.404 61.723 61.300 0.032 0.000 1.372 796 I CB 0.822 38.774 38.000 -0.081 0.000 1.408 796 I HN 0.281 nan 8.210 nan 0.000 0.516 797 D N 3.486 123.892 120.400 0.010 0.000 2.651 797 D HA 0.122 4.762 4.640 -0.000 0.000 0.280 797 D C -0.234 176.055 176.300 -0.020 0.000 1.496 797 D CA -0.189 53.846 54.000 0.060 0.000 0.792 797 D CB 0.278 41.165 40.800 0.145 0.000 1.144 797 D HN 0.460 nan 8.370 nan 0.000 0.470 798 S N -2.175 113.340 115.700 -0.308 0.000 2.627 798 S HA 0.600 5.070 4.470 -0.000 0.000 0.268 798 S C 0.759 175.205 174.600 -0.258 0.000 1.130 798 S CA -0.427 57.643 58.200 -0.218 0.000 0.819 798 S CB 1.003 64.210 63.200 0.012 0.000 1.100 798 S HN 0.136 nan 8.310 nan 0.000 0.465 799 A N 0.729 123.498 122.820 -0.085 0.000 1.930 799 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 799 A C 1.935 179.569 177.584 0.083 0.000 1.175 799 A CA 1.739 53.818 52.037 0.070 0.000 0.627 799 A CB -1.021 18.047 19.000 0.113 0.000 0.815 799 A HN 0.923 nan 8.150 nan 0.000 0.443 800 E N 0.799 121.028 120.200 0.049 0.000 2.058 800 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 800 E C 2.208 178.846 176.600 0.064 0.000 0.997 800 E CA 1.957 58.388 56.400 0.052 0.000 0.801 800 E CB -0.169 29.554 29.700 0.039 0.000 0.746 800 E HN 0.694 nan 8.360 nan 0.000 0.450 801 S N -0.292 115.449 115.700 0.069 0.000 2.402 801 S HA -0.034 4.436 4.470 -0.000 0.000 0.229 801 S C 2.202 176.928 174.600 0.210 0.000 1.021 801 S CA 0.943 59.216 58.200 0.123 0.000 0.974 801 S CB -0.695 62.585 63.200 0.133 0.000 0.800 801 S HN 0.377 nan 8.310 nan 0.000 0.484 802 G N 2.019 110.911 108.800 0.152 0.000 2.418 802 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.217 802 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.217 802 G C 1.353 176.309 174.900 0.093 0.000 1.158 802 G CA 0.956 46.149 45.100 0.155 0.000 0.771 802 G HN 0.469 nan 8.290 nan 0.000 0.545 803 L N 0.520 121.764 121.223 0.035 0.000 2.131 803 L HA -0.015 4.325 4.340 -0.000 0.000 0.210 803 L C 2.775 179.589 176.870 -0.094 0.000 1.092 803 L CA 1.735 56.516 54.840 -0.099 0.000 0.759 803 L CB -0.599 41.395 42.059 -0.109 0.000 0.903 803 L HN 0.327 nan 8.230 nan 0.000 0.435 804 Q N -1.510 118.306 119.800 0.027 0.000 2.084 804 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 804 Q C 2.155 178.121 176.000 -0.057 0.000 0.978 804 Q CA 1.912 57.719 55.803 0.007 0.000 0.844 804 Q CB -0.246 28.445 28.738 -0.077 0.000 0.898 804 Q HN 0.496 nan 8.270 nan 0.000 0.426 805 F N 0.408 120.352 119.950 -0.010 0.000 2.206 805 F HA -0.127 4.400 4.527 -0.000 0.000 0.298 805 F C 1.997 177.769 175.800 -0.045 0.000 1.090 805 F CA 0.833 58.820 58.000 -0.022 0.000 1.323 805 F CB -0.110 38.865 39.000 -0.041 0.000 1.028 805 F HN 0.006 nan 8.300 nan 0.000 0.492 806 L N -1.029 120.240 121.223 0.076 0.000 2.017 806 L HA -0.261 4.079 4.340 -0.000 0.000 0.208 806 L C 2.280 179.164 176.870 0.022 0.000 1.073 806 L CA 1.639 56.463 54.840 -0.027 0.000 0.745 806 L CB -0.971 41.005 42.059 -0.139 0.000 0.894 806 L HN 0.210 nan 8.230 nan 0.000 0.432 807 H N -1.139 117.937 119.070 0.011 0.000 2.456 807 H HA -0.109 4.447 4.556 -0.000 0.000 0.296 807 H C 2.171 177.499 175.328 -0.000 0.000 1.079 807 H CA 0.969 57.022 56.048 0.007 0.000 1.322 807 H CB 0.260 30.029 29.762 0.012 0.000 1.388 807 H HN 0.238 nan 8.280 nan 0.000 0.538 808 S N -1.128 114.637 115.700 0.108 0.000 2.603 808 S HA 0.102 4.572 4.470 -0.000 0.000 0.220 808 S C 1.581 176.210 174.600 0.049 0.000 0.967 808 S CA 0.612 58.838 58.200 0.044 0.000 0.920 808 S CB 0.732 63.912 63.200 -0.033 0.000 0.773 808 S HN 0.779 nan 8.310 nan 0.000 0.529 809 G N 0.627 109.457 108.800 0.051 0.000 2.205 809 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.180 809 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.180 809 G C 0.103 175.003 174.900 -0.000 0.000 1.004 809 G CA -0.280 44.837 45.100 0.027 0.000 0.670 809 G HN 0.728 nan 8.290 nan 0.000 0.496 810 A N 0.299 123.126 122.820 0.012 0.000 2.322 810 A HA 0.826 5.146 4.320 -0.000 0.000 0.269 810 A C 1.298 178.811 177.584 -0.119 0.000 1.094 810 A CA 1.030 53.036 52.037 -0.050 0.000 0.807 810 A CB 1.015 20.017 19.000 0.004 0.000 1.047 810 A HN 0.719 nan 8.150 nan 0.000 0.487 811 S N -0.757 114.815 115.700 -0.212 0.000 2.502 811 S HA 0.213 4.683 4.470 -0.000 0.000 0.228 811 S C 0.694 175.070 174.600 -0.374 0.000 1.061 811 S CA 0.774 58.814 58.200 -0.267 0.000 0.935 811 S CB -0.009 63.014 63.200 -0.294 0.000 0.809 811 S HN 1.189 nan 8.310 nan 0.000 0.510 812 V N -0.298 119.354 119.914 -0.437 0.000 3.102 812 V HA 0.724 4.844 4.120 -0.000 0.000 0.312 812 V C -1.461 174.493 176.094 -0.233 0.000 1.135 812 V CA -1.187 60.841 62.300 -0.453 0.000 1.022 812 V CB 1.693 32.989 31.823 -0.878 0.000 1.056 812 V HN 0.151 nan 8.190 nan 0.000 0.436 813 L N 1.909 123.081 121.223 -0.085 0.000 2.372 813 L HA 0.600 4.940 4.340 -0.000 0.000 0.274 813 L C -0.259 176.676 176.870 0.108 0.000 0.988 813 L CA -0.399 54.398 54.840 -0.071 0.000 0.833 813 L CB 1.704 43.642 42.059 -0.202 0.000 1.236 813 L HN 0.711 nan 8.230 nan 0.000 0.410 814 Q N 2.281 122.117 119.800 0.060 0.000 2.235 814 Q HA 0.686 5.026 4.340 -0.000 0.000 0.250 814 Q C -1.006 175.020 176.000 0.043 0.000 0.909 814 Q CA -0.657 55.181 55.803 0.058 0.000 0.910 814 Q CB 3.045 31.823 28.738 0.067 0.000 1.223 814 Q HN 0.400 nan 8.270 nan 0.000 0.432 815 V N 1.162 121.126 119.914 0.084 0.000 2.709 815 V HA 0.312 4.432 4.120 -0.000 0.000 0.308 815 V C -0.269 175.851 176.094 0.043 0.000 1.062 815 V CA -0.605 61.779 62.300 0.139 0.000 0.901 815 V CB 1.635 33.711 31.823 0.421 0.000 1.003 815 V HN 1.116 nan 8.190 nan 0.000 0.425 816 C N 2.231 121.562 119.300 0.051 0.000 2.947 816 C HA 0.103 4.563 4.460 -0.000 0.000 0.337 816 C C 2.610 177.608 174.990 0.013 0.000 2.005 816 C CA 1.287 60.304 59.018 -0.002 0.000 2.072 816 C CB 0.533 28.260 27.740 -0.021 0.000 1.873 816 C HN 0.827 nan 8.230 nan 0.000 0.682 817 S N 1.671 117.407 115.700 0.060 0.000 2.387 817 S HA -0.121 4.349 4.470 -0.000 0.000 0.230 817 S C 1.974 176.691 174.600 0.195 0.000 1.035 817 S CA 1.802 60.080 58.200 0.130 0.000 1.014 817 S CB -0.601 62.784 63.200 0.308 0.000 0.836 817 S HN 0.877 nan 8.310 nan 0.000 0.466 818 A N 0.632 123.576 122.820 0.207 0.000 2.019 818 A HA -0.018 4.302 4.320 -0.000 0.000 0.219 818 A C 2.251 179.956 177.584 0.202 0.000 1.164 818 A CA 1.285 53.469 52.037 0.245 0.000 0.644 818 A CB -0.548 18.654 19.000 0.336 0.000 0.805 818 A HN 0.378 nan 8.150 nan 0.000 0.449 819 V N -0.454 119.551 119.914 0.152 0.000 2.535 819 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 819 V C 2.489 178.552 176.094 -0.053 0.000 1.045 819 V CA 1.800 64.138 62.300 0.064 0.000 1.058 819 V CB -0.707 31.135 31.823 0.032 0.000 0.689 819 V HN 0.614 nan 8.190 nan 0.000 0.461 820 Q N -0.016 119.728 119.800 -0.095 0.000 2.170 820 Q HA -0.173 4.167 4.340 -0.000 0.000 0.203 820 Q C 1.916 177.888 176.000 -0.046 0.000 0.976 820 Q CA 1.247 56.924 55.803 -0.210 0.000 0.858 820 Q CB -0.196 28.208 28.738 -0.556 0.000 0.907 820 Q HN 0.563 nan 8.270 nan 0.000 0.433 821 N N -0.447 118.324 118.700 0.118 0.000 2.494 821 N HA -0.074 4.666 4.740 -0.000 0.000 0.182 821 N C 0.998 176.568 175.510 0.100 0.000 1.076 821 N CA 0.765 53.940 53.050 0.208 0.000 0.908 821 N CB 0.504 39.141 38.487 0.249 0.000 0.967 821 N HN 0.195 nan 8.380 nan 0.000 0.449 822 Q N -0.102 119.726 119.800 0.047 0.000 2.209 822 Q HA 0.184 4.524 4.340 -0.000 0.000 0.201 822 Q C -1.498 174.471 176.000 -0.052 0.000 0.732 822 Q CA 0.063 55.874 55.803 0.012 0.000 0.555 822 Q CB 0.583 29.341 28.738 0.035 0.000 2.685 822 Q HN 0.200 nan 8.270 nan 0.000 0.224 823 D N -2.208 118.161 120.400 -0.051 0.000 2.738 823 D HA 0.204 4.844 4.640 -0.000 0.000 0.308 823 D C -0.352 175.955 176.300 0.012 0.000 1.311 823 D CA -0.584 53.332 54.000 -0.140 0.000 0.799 823 D CB -0.509 40.227 40.800 -0.106 0.000 1.332 823 D HN 0.148 nan 8.370 nan 0.000 0.441 824 F N 0.114 120.111 119.950 0.079 0.000 2.333 824 F HA -0.027 4.500 4.527 -0.000 0.000 0.300 824 F C 2.653 178.615 175.800 0.270 0.000 1.083 824 F CA 1.556 59.698 58.000 0.237 0.000 1.395 824 F CB -1.140 37.950 39.000 0.150 0.000 1.056 824 F HN 0.643 nan 8.300 nan 0.000 0.529 825 T N -2.103 112.599 114.554 0.245 0.000 3.098 825 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 825 T C 1.945 176.586 174.700 -0.098 0.000 1.145 825 T CA 1.026 63.171 62.100 0.075 0.000 1.092 825 T CB -1.239 67.648 68.868 0.031 0.000 0.908 825 T HN 0.219 nan 8.240 nan 0.000 0.526 826 V N -0.727 119.100 119.914 -0.146 0.000 2.720 826 V HA -0.020 4.100 4.120 -0.000 0.000 0.256 826 V C 2.308 177.787 176.094 -1.025 0.000 1.082 826 V CA 1.055 63.041 62.300 -0.523 0.000 1.101 826 V CB -1.335 30.160 31.823 -0.547 0.000 0.693 826 V HN 0.432 nan 8.190 nan 0.000 0.479 827 I N 0.904 120.957 120.570 -0.862 0.000 2.264 827 I HA -0.231 3.938 4.170 -0.000 0.000 0.248 827 I C 2.517 178.240 176.117 -0.655 0.000 1.111 827 I CA 2.075 62.693 61.300 -1.137 0.000 1.382 827 I CB -0.691 36.472 38.000 -1.395 0.000 1.060 827 I HN 0.464 nan 8.210 nan 0.000 0.418 828 Q N 0.246 119.803 119.800 -0.405 0.000 2.084 828 Q HA -0.283 4.057 4.340 -0.000 0.000 0.202 828 Q C 1.881 177.760 176.000 -0.202 0.000 0.978 828 Q CA 2.351 58.020 55.803 -0.224 0.000 0.844 828 Q CB -0.381 28.279 28.738 -0.129 0.000 0.898 828 Q HN 0.692 nan 8.270 nan 0.000 0.426 829 D N -0.909 119.331 120.400 -0.267 0.000 2.117 829 D HA -0.173 4.466 4.640 -0.000 0.000 0.198 829 D C 1.561 177.825 176.300 -0.060 0.000 0.982 829 D CA 1.099 55.015 54.000 -0.140 0.000 0.828 829 D CB -0.099 40.624 40.800 -0.129 0.000 0.967 829 D HN 0.246 nan 8.370 nan 0.000 0.464 830 Y N 0.439 120.496 120.300 -0.405 0.000 2.181 830 Y HA -0.107 4.443 4.550 -0.000 0.000 0.288 830 Y C 2.760 178.369 175.900 -0.485 0.000 1.146 830 Y CA 0.194 57.886 58.100 -0.681 0.000 1.164 830 Y CB -1.234 36.315 38.460 -1.519 0.000 0.982 830 Y HN 0.219 nan 8.280 nan 0.000 0.515 831 C N -0.236 118.943 119.300 -0.201 0.000 2.453 831 C HA -0.151 4.309 4.460 -0.000 0.000 0.277 831 C C 2.872 177.914 174.990 0.086 0.000 1.262 831 C CA 1.836 60.864 59.018 0.017 0.000 1.718 831 C CB -1.408 26.333 27.740 0.003 0.000 2.031 831 C HN 0.705 nan 8.230 nan 0.000 0.480 832 T N -0.747 113.852 114.554 0.075 0.000 2.867 832 T HA -0.020 4.329 4.350 -0.000 0.000 0.268 832 T C 1.901 176.731 174.700 0.216 0.000 1.057 832 T CA 1.768 63.976 62.100 0.180 0.000 1.136 832 T CB -0.696 68.283 68.868 0.185 0.000 0.874 832 T HN 0.523 nan 8.240 nan 0.000 0.466 833 G N 1.353 110.244 108.800 0.152 0.000 2.402 833 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.216 833 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.216 833 G C 1.429 176.412 174.900 0.139 0.000 1.162 833 G CA 0.795 45.984 45.100 0.148 0.000 0.777 833 G HN 0.451 nan 8.290 nan 0.000 0.539 834 L N 0.606 121.925 121.223 0.160 0.000 2.093 834 L HA 0.148 4.488 4.340 -0.000 0.000 0.208 834 L C 2.682 179.624 176.870 0.121 0.000 1.085 834 L CA 1.721 56.663 54.840 0.170 0.000 0.755 834 L CB -0.478 41.750 42.059 0.282 0.000 0.904 834 L HN 0.123 nan 8.230 nan 0.000 0.435 835 K N -0.635 119.832 120.400 0.112 0.000 2.057 835 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 835 K C 2.072 178.689 176.600 0.028 0.000 1.049 835 K CA 1.382 57.710 56.287 0.068 0.000 0.931 835 K CB -0.380 32.148 32.500 0.048 0.000 0.714 835 K HN 0.455 nan 8.250 nan 0.000 0.440 836 A N 1.454 124.268 122.820 -0.011 0.000 1.902 836 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 836 A C 2.146 179.781 177.584 0.085 0.000 1.181 836 A CA 1.198 53.203 52.037 -0.055 0.000 0.623 836 A CB -0.635 18.364 19.000 -0.002 0.000 0.818 836 A HN 0.150 nan 8.150 nan 0.000 0.443 837 L N -0.586 120.696 121.223 0.098 0.000 2.046 837 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 837 L C 2.561 179.481 176.870 0.085 0.000 1.077 837 L CA 1.153 56.053 54.840 0.100 0.000 0.747 837 L CB -0.495 41.617 42.059 0.088 0.000 0.896 837 L HN 0.387 nan 8.230 nan 0.000 0.432 838 L N -1.962 119.308 121.223 0.078 0.000 2.072 838 L HA -0.236 4.104 4.340 -0.000 0.000 0.205 838 L C 2.596 179.500 176.870 0.058 0.000 1.079 838 L CA 1.152 56.027 54.840 0.059 0.000 0.752 838 L CB -0.677 41.415 42.059 0.055 0.000 0.906 838 L HN 0.197 nan 8.230 nan 0.000 0.436 839 Y N 1.071 121.348 120.300 -0.039 0.000 2.128 839 Y HA -0.247 4.303 4.550 -0.000 0.000 0.284 839 Y C 2.385 178.249 175.900 -0.061 0.000 1.154 839 Y CA 1.559 59.623 58.100 -0.060 0.000 1.149 839 Y CB -0.190 38.207 38.460 -0.105 0.000 0.976 839 Y HN -0.008 nan 8.280 nan 0.000 0.505 840 L N 0.175 121.442 121.223 0.073 0.000 2.265 840 L HA -0.234 4.106 4.340 -0.000 0.000 0.215 840 L C 2.134 178.938 176.870 -0.110 0.000 1.117 840 L CA 1.399 56.221 54.840 -0.030 0.000 0.782 840 L CB -0.476 41.605 42.059 0.036 0.000 0.914 840 L HN 0.190 nan 8.230 nan 0.000 0.441 841 K N -0.244 120.112 120.400 -0.074 0.000 2.362 841 K HA -0.090 4.230 4.320 -0.000 0.000 0.200 841 K C 2.081 178.606 176.600 -0.124 0.000 1.046 841 K CA 1.359 57.606 56.287 -0.067 0.000 0.952 841 K CB -0.045 32.446 32.500 -0.016 0.000 0.753 841 K HN 0.361 nan 8.250 nan 0.000 0.466 842 S N 0.098 115.673 115.700 -0.209 0.000 2.548 842 S HA 0.107 4.577 4.470 -0.000 0.000 0.215 842 S C 0.655 175.100 174.600 -0.258 0.000 0.976 842 S CA -0.296 57.763 58.200 -0.235 0.000 0.908 842 S CB 0.158 63.178 63.200 -0.300 0.000 0.781 842 S HN -0.025 nan 8.310 nan 0.000 0.519 843 I N 2.979 123.381 120.570 -0.279 0.000 2.281 843 I HA 0.326 4.496 4.170 -0.000 0.000 0.293 843 I C 1.374 177.320 176.117 -0.284 0.000 1.085 843 I CA -0.166 60.966 61.300 -0.280 0.000 1.257 843 I CB 0.488 38.328 38.000 -0.266 0.000 1.430 843 I HN 0.380 nan 8.210 nan 0.000 0.489 844 E N 5.219 125.259 120.200 -0.266 0.000 2.118 844 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 844 E C 1.361 177.780 176.600 -0.300 0.000 0.992 844 E CA 1.338 57.596 56.400 -0.238 0.000 0.804 844 E CB 0.434 30.020 29.700 -0.191 0.000 0.741 844 E HN 0.614 nan 8.360 nan 0.000 0.458 845 E N 0.177 120.084 120.200 -0.488 0.000 2.516 845 E HA -0.139 4.211 4.350 -0.000 0.000 0.199 845 E C 1.266 177.590 176.600 -0.460 0.000 1.069 845 E CA 0.516 56.581 56.400 -0.558 0.000 0.876 845 E CB 0.031 29.110 29.700 -1.036 0.000 0.843 845 E HN 0.410 nan 8.360 nan 0.000 0.530 846 L N 0.760 121.712 121.223 -0.452 0.000 3.066 846 L HA 0.198 4.538 4.340 -0.000 0.000 0.265 846 L C 1.702 178.418 176.870 -0.257 0.000 1.232 846 L CA -0.135 54.391 54.840 -0.524 0.000 1.031 846 L CB 0.153 41.701 42.059 -0.852 0.000 1.379 846 L HN -0.080 nan 8.230 nan 0.000 0.563 847 Q N 0.556 120.278 119.800 -0.131 0.000 2.291 847 Q HA -0.095 4.244 4.340 -0.000 0.000 0.206 847 Q C 2.128 178.171 176.000 0.071 0.000 0.976 847 Q CA 1.378 57.161 55.803 -0.033 0.000 0.875 847 Q CB -0.022 28.688 28.738 -0.047 0.000 0.927 847 Q HN 0.626 nan 8.270 nan 0.000 0.450 848 G N -0.467 108.419 108.800 0.143 0.000 2.744 848 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.211 848 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.211 848 G C -0.334 174.760 174.900 0.322 0.000 1.143 848 G CA -0.357 44.866 45.100 0.206 0.000 0.788 848 G HN 0.098 nan 8.290 nan 0.000 0.534 849 W N 0.274 121.591 121.300 0.028 0.000 2.215 849 W HA 0.475 5.135 4.660 0.000 0.000 0.342 849 W C -0.403 176.147 176.519 0.051 0.000 1.237 849 W CA -1.384 55.993 57.345 0.053 0.000 1.283 849 W CB 0.695 30.198 29.460 0.072 0.000 1.131 849 W HN -0.086 nan 8.180 nan 0.000 0.606 850 D N 0.691 121.253 120.400 0.269 0.000 2.473 850 D HA 0.411 5.051 4.640 -0.000 0.000 0.226 850 D C 0.842 177.270 176.300 0.213 0.000 1.089 850 D CA 0.728 54.835 54.000 0.179 0.000 0.883 850 D CB 0.098 40.962 40.800 0.107 0.000 1.029 850 D HN 0.550 nan 8.370 nan 0.000 0.517 851 G N 4.003 112.935 108.800 0.220 0.000 2.561 851 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.289 851 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.289 851 G C 0.718 175.817 174.900 0.331 0.000 1.169 851 G CA 0.359 45.586 45.100 0.212 0.000 0.980 851 G HN 0.541 nan 8.290 nan 0.000 0.550 852 Q N 0.508 120.485 119.800 0.295 0.000 2.320 852 Q HA 0.320 4.660 4.340 -0.000 0.000 0.201 852 Q C 0.443 176.753 176.000 0.517 0.000 0.910 852 Q CA 0.467 56.539 55.803 0.448 0.000 0.946 852 Q CB 0.429 29.316 28.738 0.247 0.000 1.062 852 Q HN 0.309 nan 8.270 nan 0.000 0.503 853 S N 2.628 118.531 115.700 0.339 0.000 2.422 853 S HA 0.309 4.779 4.470 -0.000 0.000 0.298 853 S C -2.321 172.092 174.600 -0.312 0.000 1.118 853 S CA -1.166 57.121 58.200 0.145 0.000 1.083 853 S CB 1.008 64.314 63.200 0.176 0.000 0.971 853 S HN 0.032 nan 8.310 nan 0.000 0.478 854 P HA 0.149 nan 4.420 nan 0.000 0.270 854 P C 0.361 177.276 177.300 -0.642 0.000 1.223 854 P CA -0.209 61.901 63.100 -1.649 0.000 0.785 854 P CB 0.346 31.219 31.700 -1.379 0.000 0.923 855 G N 1.027 109.562 108.800 -0.443 0.000 2.353 855 G HA2 0.113 4.073 3.960 -0.000 0.000 0.239 855 G HA3 0.113 4.073 3.960 -0.000 0.000 0.239 855 G C -0.245 174.582 174.900 -0.122 0.000 1.295 855 G CA -0.089 44.926 45.100 -0.141 0.000 0.884 855 G HN 0.369 nan 8.290 nan 0.000 0.537 856 T N 3.168 117.688 114.554 -0.058 0.000 2.817 856 T HA 0.169 4.519 4.350 -0.000 0.000 0.295 856 T C 0.211 174.918 174.700 0.011 0.000 0.958 856 T CA 0.095 62.180 62.100 -0.024 0.000 1.157 856 T CB 0.678 69.554 68.868 0.014 0.000 0.898 856 T HN 0.467 nan 8.240 nan 0.000 0.536 857 E N 2.244 122.455 120.200 0.018 0.000 2.242 857 E HA 0.276 4.625 4.350 -0.000 0.000 0.275 857 E C 0.017 176.688 176.600 0.117 0.000 1.002 857 E CA -0.529 55.900 56.400 0.048 0.000 0.841 857 E CB 1.198 30.916 29.700 0.029 0.000 1.109 857 E HN 0.464 nan 8.360 nan 0.000 0.394 858 S N 3.185 118.938 115.700 0.087 0.000 2.575 858 S HA 0.047 4.517 4.470 -0.000 0.000 0.295 858 S C 0.261 174.936 174.600 0.125 0.000 1.267 858 S CA 0.176 58.423 58.200 0.079 0.000 1.074 858 S CB -0.226 62.993 63.200 0.032 0.000 0.829 858 S HN 0.523 nan 8.310 nan 0.000 0.497 859 H N 1.380 120.452 119.070 0.004 0.000 2.960 859 H HA 0.534 5.090 4.556 -0.000 0.000 0.323 859 H C -1.643 173.688 175.328 0.005 0.000 1.326 859 H CA -1.047 55.004 56.048 0.005 0.000 1.124 859 H CB 1.145 30.909 29.762 0.003 0.000 1.853 859 H HN 0.417 nan 8.280 nan 0.000 0.536 860 Q N 0.953 120.685 119.800 -0.114 0.000 2.263 860 Q HA 0.225 4.565 4.340 -0.000 0.000 0.262 860 Q C -0.554 175.501 176.000 0.091 0.000 0.984 860 Q CA -0.506 55.223 55.803 -0.125 0.000 0.813 860 Q CB 2.288 30.988 28.738 -0.063 0.000 1.299 860 Q HN 0.867 nan 8.270 nan 0.000 0.428 861 K N 0.876 121.351 120.400 0.125 0.000 3.160 861 K HA -0.279 4.041 4.320 -0.000 0.000 0.280 861 K C 0.618 177.319 176.600 0.169 0.000 1.154 861 K CA 0.775 57.139 56.287 0.127 0.000 0.822 861 K CB -1.336 31.192 32.500 0.047 0.000 1.239 861 K HN 1.150 nan 8.250 nan 0.000 0.489 862 G N 0.124 109.142 108.800 0.364 0.000 2.162 862 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.260 862 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.260 862 G C -0.191 174.751 174.900 0.070 0.000 0.976 862 G CA 0.899 46.025 45.100 0.043 0.000 0.655 862 G HN 0.319 nan 8.290 nan 0.000 0.533 863 K N 1.489 121.981 120.400 0.153 0.000 2.274 863 K HA 0.451 4.771 4.320 -0.000 0.000 0.262 863 K C -2.394 174.282 176.600 0.126 0.000 0.961 863 K CA -2.078 54.271 56.287 0.103 0.000 0.833 863 K CB 2.458 35.003 32.500 0.075 0.000 1.102 863 K HN 0.029 nan 8.250 nan 0.000 0.436 864 P HA -0.075 nan 4.420 nan 0.000 0.264 864 P C -0.182 177.160 177.300 0.069 0.000 1.183 864 P CA -0.109 63.045 63.100 0.091 0.000 0.763 864 P CB 0.529 32.266 31.700 0.062 0.000 0.807 865 V N 6.439 126.388 119.914 0.059 0.000 2.555 865 V HA 0.106 4.226 4.120 -0.000 0.000 0.286 865 V C -1.710 174.401 176.094 0.028 0.000 1.044 865 V CA -1.259 61.059 62.300 0.030 0.000 1.026 865 V CB 0.066 31.895 31.823 0.011 0.000 0.981 865 V HN 0.553 nan 8.190 nan 0.000 0.480 866 P HA 0.181 nan 4.420 nan 0.000 0.267 866 P C -0.347 176.963 177.300 0.018 0.000 1.209 866 P CA 0.023 63.136 63.100 0.023 0.000 0.763 866 P CB 0.217 31.928 31.700 0.019 0.000 0.816 867 R N 3.973 124.486 120.500 0.022 0.000 2.870 867 R HA 0.357 4.697 4.340 -0.000 0.000 0.254 867 R C -0.043 176.266 176.300 0.016 0.000 1.392 867 R CA -0.187 55.924 56.100 0.018 0.000 1.322 867 R CB -0.190 30.123 30.300 0.022 0.000 1.205 867 R HN 0.497 nan 8.270 nan 0.000 0.597 868 I N 0.419 120.995 120.570 0.011 0.000 2.603 868 I HA 0.236 4.406 4.170 -0.000 0.000 0.300 868 I C 1.199 177.319 176.117 0.005 0.000 1.017 868 I CA -0.536 60.770 61.300 0.010 0.000 1.098 868 I CB 2.056 40.061 38.000 0.008 0.000 1.279 868 I HN 0.453 nan 8.210 nan 0.000 0.437 869 A N 3.420 126.243 122.820 0.006 0.000 1.972 869 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 869 A C 1.834 179.417 177.584 -0.001 0.000 1.169 869 A CA 1.379 53.417 52.037 0.003 0.000 0.635 869 A CB -0.417 18.586 19.000 0.004 0.000 0.810 869 A HN 0.858 nan 8.150 nan 0.000 0.446 870 E N -0.961 119.238 120.200 -0.002 0.000 2.416 870 E HA 0.226 4.576 4.350 -0.000 0.000 0.189 870 E C 0.911 177.505 176.600 -0.010 0.000 1.091 870 E CA -0.022 56.374 56.400 -0.006 0.000 0.889 870 E CB -0.048 29.649 29.700 -0.005 0.000 1.015 870 E HN 0.656 nan 8.360 nan 0.000 0.479 871 L N -0.843 120.374 121.223 -0.010 0.000 2.658 871 L HA 0.163 4.503 4.340 -0.000 0.000 0.201 871 L C 0.690 177.549 176.870 -0.019 0.000 1.050 871 L CA -0.369 54.461 54.840 -0.017 0.000 0.893 871 L CB 0.049 42.099 42.059 -0.015 0.000 1.503 871 L HN 0.168 nan 8.230 nan 0.000 0.485 872 M N 2.041 121.634 119.600 -0.013 0.000 3.721 872 M HA 0.033 4.513 4.480 -0.000 0.000 0.145 872 M C 0.899 177.190 176.300 -0.015 0.000 1.884 872 M CA 0.821 56.113 55.300 -0.012 0.000 1.862 872 M CB -2.022 30.575 32.600 -0.005 0.000 1.384 872 M HN 0.504 nan 8.290 nan 0.000 0.497 873 G N -0.160 108.627 108.800 -0.022 0.000 2.789 873 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.218 873 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.218 873 G C 0.767 175.649 174.900 -0.030 0.000 0.980 873 G CA -0.582 44.504 45.100 -0.023 0.000 0.848 873 G HN 0.366 nan 8.290 nan 0.000 0.591 874 K N 1.270 121.648 120.400 -0.036 0.000 2.444 874 K HA 0.164 4.484 4.320 -0.000 0.000 0.193 874 K C 0.880 177.443 176.600 -0.061 0.000 1.024 874 K CA 0.095 56.359 56.287 -0.038 0.000 1.077 874 K CB 0.020 32.502 32.500 -0.029 0.000 0.833 874 K HN 0.429 nan 8.250 nan 0.000 0.517 875 K N 0.788 121.136 120.400 -0.086 0.000 3.393 875 K HA -0.175 4.145 4.320 -0.000 0.000 0.272 875 K C -0.592 175.869 176.600 -0.232 0.000 1.004 875 K CA 0.550 56.750 56.287 -0.146 0.000 0.764 875 K CB -2.154 30.266 32.500 -0.133 0.000 1.373 875 K HN 0.222 nan 8.250 nan 0.000 0.458 876 L N 1.262 122.365 121.223 -0.199 0.000 2.356 876 L HA 0.281 4.621 4.340 -0.000 0.000 0.264 876 L C -1.987 174.713 176.870 -0.283 0.000 1.029 876 L CA -1.940 52.769 54.840 -0.218 0.000 0.897 876 L CB 1.102 43.113 42.059 -0.079 0.000 1.256 876 L HN -0.062 nan 8.230 nan 0.000 0.444 877 P HA 0.058 nan 4.420 nan 0.000 0.273 877 P C -0.304 176.785 177.300 -0.351 0.000 1.250 877 P CA -0.379 62.448 63.100 -0.455 0.000 0.793 877 P CB 0.572 31.799 31.700 -0.789 0.000 1.011 878 N N 0.879 119.499 118.700 -0.133 0.000 2.843 878 N HA 0.173 4.913 4.740 -0.000 0.000 0.284 878 N C -0.610 174.968 175.510 0.114 0.000 1.274 878 N CA 0.267 53.306 53.050 -0.019 0.000 1.045 878 N CB -0.763 37.744 38.487 0.034 0.000 1.370 878 N HN 0.368 nan 8.380 nan 0.000 0.525 879 F N -3.163 116.811 119.950 0.040 0.000 2.741 879 F HA 0.648 5.175 4.527 -0.000 0.000 0.313 879 F C 0.747 176.531 175.800 -0.028 0.000 1.153 879 F CA -0.759 57.256 58.000 0.024 0.000 0.931 879 F CB 0.417 39.456 39.000 0.065 0.000 1.335 879 F HN 0.081 nan 8.300 nan 0.000 0.460 880 G N 1.010 109.942 108.800 0.219 0.000 2.582 880 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.300 880 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.300 880 G C -1.551 173.198 174.900 -0.252 0.000 1.300 880 G CA 0.167 45.227 45.100 -0.067 0.000 0.959 880 G HN 0.837 nan 8.290 nan 0.000 0.548 881 P HA -0.099 nan 4.420 nan 0.000 0.222 881 P C 1.273 178.296 177.300 -0.462 0.000 1.147 881 P CA 2.151 64.979 63.100 -0.454 0.000 0.790 881 P CB -0.130 31.249 31.700 -0.534 0.000 0.780 882 Y N 0.014 120.116 120.300 -0.330 0.000 2.200 882 Y HA -0.095 4.455 4.550 -0.000 0.000 0.290 882 Y C 2.600 178.350 175.900 -0.250 0.000 1.137 882 Y CA 0.630 58.532 58.100 -0.330 0.000 1.163 882 Y CB -1.586 36.559 38.460 -0.524 0.000 0.988 882 Y HN -0.124 nan 8.280 nan 0.000 0.518 883 L N 0.611 121.775 121.223 -0.098 0.000 2.083 883 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 883 L C 1.941 178.771 176.870 -0.067 0.000 1.083 883 L CA 1.718 56.517 54.840 -0.069 0.000 0.752 883 L CB -0.646 41.391 42.059 -0.038 0.000 0.899 883 L HN 0.201 nan 8.230 nan 0.000 0.433 884 E N -0.874 119.271 120.200 -0.092 0.000 2.085 884 E HA -0.284 4.066 4.350 -0.000 0.000 0.194 884 E C 2.139 178.695 176.600 -0.073 0.000 0.994 884 E CA 1.628 57.978 56.400 -0.082 0.000 0.801 884 E CB -0.168 29.470 29.700 -0.105 0.000 0.743 884 E HN 0.662 nan 8.360 nan 0.000 0.453 885 Q N 0.284 120.035 119.800 -0.082 0.000 2.079 885 Q HA -0.114 4.226 4.340 -0.000 0.000 0.200 885 Q C 2.215 178.188 176.000 -0.044 0.000 0.974 885 Q CA 1.018 56.785 55.803 -0.061 0.000 0.840 885 Q CB -0.065 28.639 28.738 -0.056 0.000 0.898 885 Q HN 0.174 nan 8.270 nan 0.000 0.430 886 R N 0.839 121.313 120.500 -0.043 0.000 2.081 886 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 886 R C 2.185 178.465 176.300 -0.032 0.000 1.131 886 R CA 1.305 57.384 56.100 -0.036 0.000 0.960 886 R CB -0.139 30.137 30.300 -0.040 0.000 0.856 886 R HN 0.157 nan 8.270 nan 0.000 0.436 887 K N 0.736 121.114 120.400 -0.036 0.000 2.057 887 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 887 K C 2.134 178.715 176.600 -0.032 0.000 1.049 887 K CA 1.292 57.559 56.287 -0.034 0.000 0.931 887 K CB -0.098 32.380 32.500 -0.036 0.000 0.714 887 K HN 0.086 nan 8.250 nan 0.000 0.440 888 K N 1.361 121.740 120.400 -0.034 0.000 2.057 888 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 888 K C 2.023 178.609 176.600 -0.024 0.000 1.049 888 K CA 1.176 57.444 56.287 -0.030 0.000 0.931 888 K CB -0.033 32.446 32.500 -0.035 0.000 0.714 888 K HN 0.059 nan 8.250 nan 0.000 0.440 889 I N 0.992 121.549 120.570 -0.023 0.000 2.226 889 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 889 I C 2.258 178.368 176.117 -0.011 0.000 1.100 889 I CA 1.164 62.454 61.300 -0.016 0.000 1.374 889 I CB -0.203 37.787 38.000 -0.017 0.000 1.057 889 I HN 0.189 nan 8.210 nan 0.000 0.413 890 I N 0.796 121.359 120.570 -0.013 0.000 2.226 890 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 890 I C 2.819 178.932 176.117 -0.007 0.000 1.100 890 I CA 1.288 62.584 61.300 -0.007 0.000 1.374 890 I CB -0.482 37.511 38.000 -0.011 0.000 1.057 890 I HN 0.175 nan 8.210 nan 0.000 0.413 891 A N 0.527 123.338 122.820 -0.015 0.000 1.902 891 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 891 A C 2.201 179.781 177.584 -0.006 0.000 1.181 891 A CA 1.769 53.796 52.037 -0.017 0.000 0.623 891 A CB -0.585 18.400 19.000 -0.024 0.000 0.818 891 A HN 0.448 nan 8.150 nan 0.000 0.443 892 E N -0.904 119.293 120.200 -0.006 0.000 2.106 892 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 892 E C 2.033 178.638 176.600 0.008 0.000 0.984 892 E CA 1.210 57.610 56.400 -0.000 0.000 0.806 892 E CB -0.071 29.627 29.700 -0.003 0.000 0.750 892 E HN 0.727 nan 8.360 nan 0.000 0.458 893 E N 1.347 121.553 120.200 0.009 0.000 2.072 893 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 893 E C 1.694 178.311 176.600 0.028 0.000 0.985 893 E CA 1.268 57.679 56.400 0.018 0.000 0.801 893 E CB 0.127 29.838 29.700 0.018 0.000 0.750 893 E HN -0.063 nan 8.360 nan 0.000 0.452 894 K N -0.108 120.309 120.400 0.029 0.000 2.097 894 K HA -0.092 4.227 4.320 -0.000 0.000 0.206 894 K C 1.965 178.593 176.600 0.048 0.000 1.049 894 K CA 1.187 57.501 56.287 0.045 0.000 0.933 894 K CB -0.324 32.196 32.500 0.033 0.000 0.717 894 K HN 0.313 nan 8.250 nan 0.000 0.442 895 M N 0.221 119.839 119.600 0.031 0.000 2.229 895 M HA -0.062 4.418 4.480 -0.000 0.000 0.264 895 M C 2.069 178.389 176.300 0.034 0.000 1.063 895 M CA 1.255 56.574 55.300 0.031 0.000 1.114 895 M CB -0.743 31.868 32.600 0.019 0.000 1.387 895 M HN 0.100 nan 8.290 nan 0.000 0.420 896 R N 0.075 120.593 120.500 0.030 0.000 2.066 896 R HA -0.028 4.312 4.340 -0.000 0.000 0.232 896 R C 2.235 178.556 176.300 0.036 0.000 1.131 896 R CA 1.026 57.143 56.100 0.028 0.000 0.955 896 R CB -0.297 30.017 30.300 0.023 0.000 0.851 896 R HN 0.306 nan 8.270 nan 0.000 0.432 897 L N 0.775 122.025 121.223 0.044 0.000 2.127 897 L HA -0.196 4.144 4.340 -0.000 0.000 0.211 897 L C 2.414 179.320 176.870 0.060 0.000 1.089 897 L CA 1.213 56.085 54.840 0.054 0.000 0.757 897 L CB -0.369 41.730 42.059 0.066 0.000 0.899 897 L HN 0.170 nan 8.230 nan 0.000 0.434 898 K N 0.595 121.034 120.400 0.064 0.000 2.442 898 K HA -0.189 4.131 4.320 -0.000 0.000 0.199 898 K C 1.383 178.015 176.600 0.054 0.000 1.044 898 K CA 1.127 57.455 56.287 0.069 0.000 0.941 898 K CB 0.116 32.656 32.500 0.067 0.000 0.759 898 K HN 0.482 nan 8.250 nan 0.000 0.472 899 E N -0.362 119.865 120.200 0.044 0.000 2.447 899 E HA -0.017 4.333 4.350 -0.000 0.000 0.195 899 E C 0.122 176.742 176.600 0.033 0.000 1.028 899 E CA 0.057 56.478 56.400 0.034 0.000 0.876 899 E CB 0.405 30.122 29.700 0.027 0.000 0.885 899 E HN 0.349 nan 8.360 nan 0.000 0.500 900 Q N 0.776 120.600 119.800 0.040 0.000 2.185 900 Q HA 0.246 4.586 4.340 -0.000 0.000 0.225 900 Q C -0.162 175.867 176.000 0.048 0.000 0.983 900 Q CA -0.647 55.179 55.803 0.039 0.000 0.950 900 Q CB 0.688 29.451 28.738 0.041 0.000 1.176 900 Q HN -0.093 nan 8.270 nan 0.000 0.510 901 N N 0.133 118.860 118.700 0.045 0.000 2.518 901 N HA 0.334 5.074 4.740 -0.000 0.000 0.254 901 N C -1.471 174.085 175.510 0.077 0.000 0.979 901 N CA -0.147 52.938 53.050 0.058 0.000 0.930 901 N CB 1.240 39.742 38.487 0.026 0.000 1.152 901 N HN 0.669 nan 8.380 nan 0.000 0.505 902 A N 2.454 125.344 122.820 0.118 0.000 2.386 902 A HA 0.636 4.956 4.320 -0.000 0.000 0.246 902 A C 0.382 178.078 177.584 0.186 0.000 1.089 902 A CA -0.212 51.904 52.037 0.131 0.000 0.790 902 A CB -0.019 19.055 19.000 0.123 0.000 1.042 902 A HN 0.778 nan 8.150 nan 0.000 0.497 903 A N 0.015 122.938 122.820 0.171 0.000 2.286 903 A HA 0.646 4.966 4.320 -0.000 0.000 0.286 903 A C -0.717 177.112 177.584 0.409 0.000 1.097 903 A CA -0.368 51.788 52.037 0.197 0.000 0.821 903 A CB 0.052 19.119 19.000 0.113 0.000 1.076 903 A HN 0.579 nan 8.150 nan 0.000 0.490 904 F N 1.208 121.178 119.950 0.033 0.000 2.411 904 F HA 0.440 4.967 4.527 -0.000 0.000 0.355 904 F C -1.749 174.078 175.800 0.045 0.000 1.117 904 F CA -2.504 55.520 58.000 0.039 0.000 1.139 904 F CB 0.358 39.380 39.000 0.038 0.000 1.120 904 F HN 0.318 nan 8.300 nan 0.000 0.493 905 P HA 0.199 nan 4.420 nan 0.000 0.269 905 P C -2.467 174.910 177.300 0.129 0.000 1.215 905 P CA -0.847 62.331 63.100 0.129 0.000 0.780 905 P CB -0.074 31.688 31.700 0.103 0.000 0.898 906 P HA 0.008 nan 4.420 nan 0.000 0.265 906 P C 0.780 178.128 177.300 0.080 0.000 1.187 906 P CA 0.249 63.399 63.100 0.083 0.000 0.766 906 P CB 0.366 32.099 31.700 0.055 0.000 0.820 907 L N 0.590 121.862 121.223 0.081 0.000 2.083 907 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 907 L C 0.892 177.792 176.870 0.050 0.000 1.083 907 L CA 1.429 56.313 54.840 0.073 0.000 0.752 907 L CB -0.121 41.981 42.059 0.072 0.000 0.899 907 L HN 0.425 nan 8.230 nan 0.000 0.433 908 E N -0.394 119.829 120.200 0.039 0.000 2.272 908 E HA 0.300 4.650 4.350 -0.000 0.000 0.269 908 E C -1.000 175.607 176.600 0.011 0.000 0.877 908 E CA -0.575 55.837 56.400 0.020 0.000 0.755 908 E CB 2.163 31.872 29.700 0.016 0.000 1.192 908 E HN 0.006 nan 8.360 nan 0.000 0.422 909 R N 1.701 122.198 120.500 -0.005 0.000 2.441 909 R HA 0.173 4.513 4.340 -0.000 0.000 0.284 909 R C -0.045 176.232 176.300 -0.039 0.000 1.070 909 R CA -0.228 55.856 56.100 -0.026 0.000 1.047 909 R CB 0.691 30.970 30.300 -0.035 0.000 1.016 909 R HN 0.242 nan 8.270 nan 0.000 0.477 910 K N 6.232 126.602 120.400 -0.051 0.000 2.354 910 K HA 0.312 4.632 4.320 -0.000 0.000 0.257 910 K C -2.365 174.177 176.600 -0.097 0.000 1.062 910 K CA -2.010 54.254 56.287 -0.038 0.000 0.971 910 K CB 1.184 33.691 32.500 0.012 0.000 1.305 910 K HN 0.413 nan 8.250 nan 0.000 0.449 911 P HA -0.087 nan 4.420 nan 0.000 0.267 911 P C -0.672 176.609 177.300 -0.031 0.000 1.195 911 P CA 0.110 63.105 63.100 -0.174 0.000 0.773 911 P CB 0.271 31.921 31.700 -0.083 0.000 0.837 912 F N 1.435 121.364 119.950 -0.035 0.000 2.418 912 F HA 0.307 4.834 4.527 -0.000 0.000 0.341 912 F C 0.974 176.755 175.800 -0.032 0.000 1.120 912 F CA -0.295 57.676 58.000 -0.049 0.000 1.232 912 F CB -0.178 38.771 39.000 -0.085 0.000 1.175 912 F HN 0.065 nan 8.300 nan 0.000 0.569 913 I N 3.908 124.569 120.570 0.150 0.000 2.465 913 I HA 0.290 4.460 4.170 -0.000 0.000 0.291 913 I C -2.311 173.782 176.117 -0.040 0.000 1.014 913 I CA -2.221 59.109 61.300 0.050 0.000 1.093 913 I CB 2.094 40.115 38.000 0.034 0.000 1.267 913 I HN 0.295 nan 8.210 nan 0.000 0.431 914 P HA 0.018 nan 4.420 nan 0.000 0.264 914 P C -0.226 177.003 177.300 -0.119 0.000 1.183 914 P CA 0.190 63.179 63.100 -0.185 0.000 0.763 914 P CB 0.493 32.058 31.700 -0.225 0.000 0.807 915 K N 2.124 122.448 120.400 -0.127 0.000 2.358 915 K HA 0.096 4.416 4.320 -0.000 0.000 0.200 915 K C 0.564 177.114 176.600 -0.083 0.000 1.030 915 K CA 0.184 56.414 56.287 -0.094 0.000 1.097 915 K CB 0.262 32.703 32.500 -0.098 0.000 0.862 915 K HN 0.495 nan 8.250 nan 0.000 0.534 916 K N 0.018 120.362 120.400 -0.094 0.000 2.555 916 K HA 0.409 4.729 4.320 -0.000 0.000 0.279 916 K C -3.251 173.302 176.600 -0.079 0.000 0.986 916 K CA -1.903 54.339 56.287 -0.074 0.000 0.880 916 K CB 1.056 33.515 32.500 -0.070 0.000 1.474 916 K HN -0.345 nan 8.250 nan 0.000 0.433 917 P HA 0.071 nan 4.420 nan 0.000 0.267 917 P C -0.653 176.611 177.300 -0.059 0.000 1.200 917 P CA -0.020 63.050 63.100 -0.049 0.000 0.772 917 P CB 0.333 32.014 31.700 -0.031 0.000 0.855 918 I N 4.863 125.399 120.570 -0.056 0.000 2.452 918 I HA 0.113 4.283 4.170 -0.000 0.000 0.287 918 I C -1.744 174.361 176.117 -0.020 0.000 1.079 918 I CA -1.875 59.393 61.300 -0.053 0.000 1.387 918 I CB 0.361 38.345 38.000 -0.026 0.000 1.404 918 I HN 0.225 nan 8.210 nan 0.000 0.522 919 P HA 0.082 nan 4.420 nan 0.000 0.265 919 P C -0.571 176.733 177.300 0.007 0.000 1.193 919 P CA -0.099 63.001 63.100 0.000 0.000 0.765 919 P CB 0.637 32.343 31.700 0.011 0.000 0.823 920 A N 3.029 125.853 122.820 0.006 0.000 2.264 920 A HA 0.317 4.637 4.320 -0.000 0.000 0.304 920 A C 1.492 179.074 177.584 -0.003 0.000 1.100 920 A CA -0.529 51.512 52.037 0.007 0.000 0.839 920 A CB 0.087 19.091 19.000 0.006 0.000 1.121 920 A HN 0.469 nan 8.150 nan 0.000 0.496 921 I N 0.529 121.093 120.570 -0.012 0.000 2.208 921 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 921 I C 2.424 178.521 176.117 -0.033 0.000 1.097 921 I CA 2.304 63.581 61.300 -0.037 0.000 1.363 921 I CB -1.190 36.776 38.000 -0.058 0.000 1.051 921 I HN 0.944 nan 8.210 nan 0.000 0.413 922 K N 0.514 120.901 120.400 -0.022 0.000 2.281 922 K HA -0.183 4.137 4.320 -0.000 0.000 0.203 922 K C 1.131 177.728 176.600 -0.005 0.000 1.046 922 K CA 1.609 57.886 56.287 -0.017 0.000 0.938 922 K CB -0.318 32.176 32.500 -0.009 0.000 0.737 922 K HN 0.294 nan 8.250 nan 0.000 0.458 923 D N 1.213 121.613 120.400 0.001 0.000 2.323 923 D HA -0.068 4.572 4.640 -0.000 0.000 0.209 923 D C 1.885 178.206 176.300 0.034 0.000 0.973 923 D CA 1.208 55.215 54.000 0.012 0.000 0.874 923 D CB 0.575 41.381 40.800 0.010 0.000 0.930 923 D HN 0.342 nan 8.370 nan 0.000 0.521 924 V N -1.673 118.263 119.914 0.036 0.000 3.621 924 V HA 0.225 4.345 4.120 -0.000 0.000 0.263 924 V C 0.987 177.153 176.094 0.120 0.000 1.272 924 V CA -0.261 62.099 62.300 0.100 0.000 1.080 924 V CB -0.164 31.672 31.823 0.021 0.000 0.816 924 V HN -0.111 nan 8.190 nan 0.000 0.451 925 I N 3.193 123.784 120.570 0.036 0.000 2.741 925 I HA 0.371 4.541 4.170 -0.000 0.000 0.288 925 I C 1.643 177.789 176.117 0.049 0.000 1.192 925 I CA 1.537 62.852 61.300 0.025 0.000 1.426 925 I CB 0.050 38.038 38.000 -0.019 0.000 1.367 925 I HN 0.527 nan 8.210 nan 0.000 0.563 926 G N 5.082 113.922 108.800 0.067 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 1.170 176.092 174.900 0.037 0.000 0.975 926 G CA -0.041 45.087 45.100 0.046 0.000 0.642 926 G HN 0.594 nan 8.290 nan 0.000 0.536 927 K N 0.299 120.745 120.400 0.077 0.000 2.280 927 K HA 0.173 4.493 4.320 -0.000 0.000 0.202 927 K C 2.593 179.164 176.600 -0.048 0.000 1.047 927 K CA 1.439 57.730 56.287 0.008 0.000 0.942 927 K CB -0.468 32.057 32.500 0.041 0.000 0.739 927 K HN 0.804 nan 8.250 nan 0.000 0.457 928 A N 0.688 123.507 122.820 -0.001 0.000 2.132 928 A HA 0.061 4.381 4.320 -0.000 0.000 0.213 928 A C 2.073 179.696 177.584 0.064 0.000 1.154 928 A CA 0.209 52.297 52.037 0.084 0.000 0.753 928 A CB -0.316 18.720 19.000 0.061 0.000 0.826 928 A HN 0.152 nan 8.150 nan 0.000 0.469 929 L N 0.268 121.485 121.223 -0.010 0.000 2.187 929 L HA -0.294 4.046 4.340 -0.000 0.000 0.213 929 L C 2.840 179.652 176.870 -0.097 0.000 1.100 929 L CA 1.671 56.493 54.840 -0.030 0.000 0.765 929 L CB -0.755 41.289 42.059 -0.026 0.000 0.904 929 L HN 0.710 nan 8.230 nan 0.000 0.437 930 Q N -0.457 119.203 119.800 -0.233 0.000 2.291 930 Q HA -0.222 4.118 4.340 -0.000 0.000 0.206 930 Q C 1.533 177.304 176.000 -0.382 0.000 0.976 930 Q CA 1.733 57.321 55.803 -0.359 0.000 0.875 930 Q CB -0.461 27.954 28.738 -0.538 0.000 0.927 930 Q HN 0.500 nan 8.270 nan 0.000 0.450 931 Y N 0.597 120.866 120.300 -0.051 0.000 2.500 931 Y HA 0.301 4.851 4.550 -0.000 0.000 0.270 931 Y C 0.734 176.607 175.900 -0.045 0.000 1.134 931 Y CA -0.224 57.844 58.100 -0.052 0.000 1.293 931 Y CB 0.443 38.867 38.460 -0.061 0.000 1.063 931 Y HN 0.009 nan 8.280 nan 0.000 0.534 932 L N 0.095 121.360 121.223 0.070 0.000 2.312 932 L HA 0.616 4.956 4.340 -0.000 0.000 0.281 932 L C 0.672 177.550 176.870 0.013 0.000 1.070 932 L CA -0.058 54.807 54.840 0.041 0.000 0.805 932 L CB 1.135 43.212 42.059 0.030 0.000 1.174 932 L HN 0.269 nan 8.230 nan 0.000 0.434 933 G N 0.637 109.447 108.800 0.016 0.000 2.570 933 G HA2 0.376 4.336 3.960 -0.000 0.000 0.310 933 G HA3 0.376 4.336 3.960 -0.000 0.000 0.310 933 G C -0.829 174.086 174.900 0.025 0.000 1.266 933 G CA -0.031 45.074 45.100 0.009 0.000 0.825 933 G HN 0.514 nan 8.290 nan 0.000 0.483 934 T N -1.885 112.684 114.554 0.026 0.000 2.816 934 T HA 0.417 4.767 4.350 -0.000 0.000 0.282 934 T C 1.104 175.849 174.700 0.075 0.000 0.993 934 T CA 0.048 62.185 62.100 0.062 0.000 0.994 934 T CB 1.221 70.124 68.868 0.058 0.000 1.025 934 T HN 0.587 nan 8.240 nan 0.000 0.529 935 F N 1.443 121.394 119.950 0.002 0.000 2.171 935 F HA 0.130 4.657 4.527 -0.000 0.000 0.300 935 F C 2.382 178.183 175.800 0.003 0.000 1.090 935 F CA 1.918 59.920 58.000 0.002 0.000 1.293 935 F CB -0.894 38.108 39.000 0.003 0.000 1.013 935 F HN 0.757 nan 8.300 nan 0.000 0.486 936 G N -0.427 108.432 108.800 0.097 0.000 2.470 936 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.220 936 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.220 936 G C 1.400 176.256 174.900 -0.073 0.000 1.121 936 G CA 0.779 45.892 45.100 0.021 0.000 0.766 936 G HN 0.485 nan 8.290 nan 0.000 0.553 937 E N -0.407 119.745 120.200 -0.079 0.000 2.482 937 E HA 0.139 4.488 4.350 -0.000 0.000 0.196 937 E C 0.319 176.843 176.600 -0.128 0.000 1.047 937 E CA -0.289 56.063 56.400 -0.079 0.000 0.869 937 E CB 0.080 29.751 29.700 -0.047 0.000 0.836 937 E HN 0.363 nan 8.360 nan 0.000 0.520 938 L N 1.236 122.316 121.223 -0.238 0.000 2.305 938 L HA 0.163 4.503 4.340 -0.000 0.000 0.281 938 L C 0.490 177.212 176.870 -0.247 0.000 1.085 938 L CA -0.553 54.119 54.840 -0.280 0.000 0.813 938 L CB 1.358 43.129 42.059 -0.480 0.000 1.157 938 L HN -0.088 nan 8.230 nan 0.000 0.436 939 S N 1.889 117.492 115.700 -0.162 0.000 2.510 939 S HA 0.061 4.531 4.470 -0.000 0.000 0.279 939 S C 0.803 175.330 174.600 -0.122 0.000 1.284 939 S CA -0.695 57.435 58.200 -0.117 0.000 1.059 939 S CB 0.223 63.376 63.200 -0.079 0.000 0.901 939 S HN 0.743 nan 8.310 nan 0.000 0.491 940 N N 4.713 123.363 118.700 -0.083 0.000 2.230 940 N HA 0.100 4.840 4.740 -0.000 0.000 0.202 940 N C 0.890 176.395 175.510 -0.009 0.000 1.119 940 N CA 0.158 53.182 53.050 -0.043 0.000 0.851 940 N CB -0.331 38.164 38.487 0.013 0.000 0.990 940 N HN 0.734 nan 8.380 nan 0.000 0.497 941 I N -3.480 117.077 120.570 -0.022 0.000 3.939 941 I HA 0.290 4.460 4.170 -0.000 0.000 0.313 941 I C -0.288 175.809 176.117 -0.034 0.000 1.274 941 I CA -0.134 61.166 61.300 -0.000 0.000 1.301 941 I CB -0.014 37.992 38.000 0.011 0.000 1.105 941 I HN -0.111 nan 8.210 nan 0.000 0.427 942 E N 4.099 124.264 120.200 -0.059 0.000 1.932 942 E HA 0.230 4.580 4.350 -0.000 0.000 0.259 942 E C -0.397 176.137 176.600 -0.110 0.000 1.099 942 E CA -0.262 56.096 56.400 -0.070 0.000 0.970 942 E CB 0.434 30.098 29.700 -0.060 0.000 1.143 942 E HN 0.368 nan 8.360 nan 0.000 0.441 943 Q N 1.006 120.715 119.800 -0.151 0.000 2.212 943 Q HA 0.459 4.799 4.340 -0.000 0.000 0.238 943 Q C 0.225 176.114 176.000 -0.185 0.000 0.955 943 Q CA -0.606 55.051 55.803 -0.244 0.000 0.906 943 Q CB 2.182 30.630 28.738 -0.485 0.000 1.215 943 Q HN 0.349 nan 8.270 nan 0.000 0.478 944 V N -2.221 117.579 119.914 -0.190 0.000 3.126 944 V HA 0.903 5.023 4.120 -0.000 0.000 0.314 944 V C -0.225 175.793 176.094 -0.126 0.000 1.138 944 V CA -0.932 61.292 62.300 -0.126 0.000 1.034 944 V CB 1.796 33.564 31.823 -0.091 0.000 1.075 944 V HN 0.591 nan 8.190 nan 0.000 0.442 945 V N -1.648 118.220 119.914 -0.077 0.000 3.078 945 V HA 1.019 5.139 4.120 -0.000 0.000 0.311 945 V C 0.194 176.271 176.094 -0.029 0.000 1.138 945 V CA -0.525 61.743 62.300 -0.054 0.000 1.007 945 V CB 1.210 33.014 31.823 -0.033 0.000 1.045 945 V HN 1.884 nan 8.190 nan 0.000 0.432 946 A N 1.707 124.520 122.820 -0.012 0.000 2.354 946 A HA 0.807 5.127 4.320 -0.000 0.000 0.269 946 A C -0.365 177.224 177.584 0.010 0.000 1.109 946 A CA -0.475 51.563 52.037 0.002 0.000 0.800 946 A CB 0.894 19.903 19.000 0.015 0.000 1.045 946 A HN 1.450 nan 8.150 nan 0.000 0.489 947 V N 3.649 123.569 119.914 0.010 0.000 2.577 947 V HA 0.353 4.473 4.120 -0.000 0.000 0.303 947 V C -0.479 175.626 176.094 0.017 0.000 1.042 947 V CA -0.169 62.139 62.300 0.013 0.000 0.872 947 V CB 1.585 33.413 31.823 0.007 0.000 0.998 947 V HN 0.765 nan 8.190 nan 0.000 0.423 948 I N 3.335 123.918 120.570 0.022 0.000 2.377 948 I HA 0.370 4.540 4.170 -0.000 0.000 0.293 948 I C -0.345 175.782 176.117 0.016 0.000 0.987 948 I CA -0.421 60.893 61.300 0.024 0.000 1.185 948 I CB 1.697 39.719 38.000 0.037 0.000 1.341 948 I HN 0.540 nan 8.210 nan 0.000 0.455 949 D N 5.828 126.235 120.400 0.011 0.000 2.393 949 D HA 0.020 4.660 4.640 -0.000 0.000 0.232 949 D C 0.988 177.286 176.300 -0.004 0.000 1.192 949 D CA 0.128 54.130 54.000 0.003 0.000 0.882 949 D CB 0.860 41.661 40.800 0.002 0.000 1.038 949 D HN 0.569 nan 8.370 nan 0.000 0.499 950 E N 2.432 122.628 120.200 -0.007 0.000 2.171 950 E HA -0.215 4.135 4.350 -0.000 0.000 0.197 950 E C 0.948 177.531 176.600 -0.029 0.000 0.997 950 E CA 1.080 57.471 56.400 -0.015 0.000 0.810 950 E CB 0.395 30.079 29.700 -0.026 0.000 0.738 950 E HN 0.454 nan 8.360 nan 0.000 0.467 951 E N -0.521 119.659 120.200 -0.033 0.000 2.274 951 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 951 E C 1.680 178.238 176.600 -0.071 0.000 0.996 951 E CA 0.852 57.225 56.400 -0.045 0.000 0.840 951 E CB 0.011 29.691 29.700 -0.033 0.000 0.772 951 E HN 0.485 nan 8.360 nan 0.000 0.491 952 M N -0.532 119.023 119.600 -0.074 0.000 2.465 952 M HA 0.062 4.542 4.480 -0.000 0.000 0.249 952 M C 1.046 177.289 176.300 -0.095 0.000 1.130 952 M CA -0.189 55.030 55.300 -0.136 0.000 1.067 952 M CB 0.673 33.209 32.600 -0.106 0.000 1.394 952 M HN -0.080 nan 8.290 nan 0.000 0.483 953 C N 2.681 121.961 119.300 -0.034 0.000 2.653 953 C HA 0.145 4.605 4.460 -0.000 0.000 0.421 953 C C 1.633 176.642 174.990 0.032 0.000 1.334 953 C CA -0.390 58.635 59.018 0.012 0.000 1.885 953 C CB -0.462 27.305 27.740 0.044 0.000 2.645 953 C HN 0.634 nan 8.230 nan 0.000 0.601 954 I N 1.532 122.134 120.570 0.053 0.000 3.889 954 I HA 0.359 4.529 4.170 -0.000 0.000 0.332 954 I C 0.446 176.645 176.117 0.136 0.000 1.493 954 I CA -0.277 61.071 61.300 0.080 0.000 1.158 954 I CB -0.905 37.123 38.000 0.045 0.000 1.117 954 I HN 0.823 nan 8.210 nan 0.000 0.411 955 N N 0.254 119.062 118.700 0.180 0.000 2.708 955 N HA -0.252 4.488 4.740 -0.000 0.000 0.249 955 N C 1.131 176.787 175.510 0.243 0.000 1.097 955 N CA 1.108 54.325 53.050 0.279 0.000 0.710 955 N CB -2.298 36.413 38.487 0.373 0.000 1.032 955 N HN 0.870 nan 8.380 nan 0.000 0.551 956 C N -2.858 116.510 119.300 0.115 0.000 2.468 956 C HA 0.501 4.961 4.460 -0.000 0.000 0.277 956 C C 2.192 177.100 174.990 -0.136 0.000 1.400 956 C CA 0.419 59.440 59.018 0.005 0.000 1.770 956 C CB -0.928 26.802 27.740 -0.017 0.000 1.905 956 C HN 1.023 nan 8.230 nan 0.000 0.519 957 G N 0.915 109.567 108.800 -0.247 0.000 2.148 957 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.254 957 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.254 957 G C 0.859 175.553 174.900 -0.342 0.000 0.981 957 G CA 0.748 45.397 45.100 -0.752 0.000 0.670 957 G HN 0.648 nan 8.290 nan 0.000 0.528 958 K N -0.331 119.966 120.400 -0.173 0.000 2.097 958 K HA -0.097 4.223 4.320 -0.000 0.000 0.206 958 K C 2.971 179.521 176.600 -0.083 0.000 1.049 958 K CA 1.798 58.018 56.287 -0.111 0.000 0.933 958 K CB -0.492 31.966 32.500 -0.069 0.000 0.717 958 K HN 0.848 nan 8.250 nan 0.000 0.442 959 C N -0.240 119.027 119.300 -0.055 0.000 2.413 959 C HA -0.137 4.323 4.460 -0.000 0.000 0.276 959 C C 2.541 177.534 174.990 0.005 0.000 1.248 959 C CA 0.303 59.314 59.018 -0.011 0.000 1.742 959 C CB -1.353 26.401 27.740 0.022 0.000 2.017 959 C HN 0.434 nan 8.230 nan 0.000 0.481 960 Y N 2.182 122.366 120.300 -0.193 0.000 2.145 960 Y HA -0.119 4.431 4.550 -0.000 0.000 0.286 960 Y C 2.595 178.396 175.900 -0.164 0.000 1.145 960 Y CA 2.066 60.046 58.100 -0.201 0.000 1.148 960 Y CB -0.645 37.554 38.460 -0.434 0.000 0.981 960 Y HN 0.254 nan 8.280 nan 0.000 0.507 961 M N -1.013 118.432 119.600 -0.258 0.000 2.175 961 M HA -0.205 4.275 4.480 -0.000 0.000 0.264 961 M C 1.940 178.114 176.300 -0.209 0.000 1.063 961 M CA 2.098 57.218 55.300 -0.299 0.000 1.119 961 M CB -0.512 31.972 32.600 -0.194 0.000 1.377 961 M HN 0.191 nan 8.290 nan 0.000 0.415 962 T N -0.396 114.077 114.554 -0.135 0.000 2.777 962 T HA -0.161 4.188 4.350 -0.000 0.000 0.266 962 T C 1.878 176.527 174.700 -0.086 0.000 1.040 962 T CA 1.258 63.302 62.100 -0.092 0.000 1.141 962 T CB -0.466 68.370 68.868 -0.053 0.000 0.868 962 T HN 0.518 nan 8.240 nan 0.000 0.444 963 C N 1.961 121.217 119.300 -0.075 0.000 2.435 963 C HA -0.020 4.440 4.460 -0.000 0.000 0.279 963 C C 2.586 177.514 174.990 -0.105 0.000 1.321 963 C CA 0.492 59.488 59.018 -0.037 0.000 1.752 963 C CB -1.421 26.334 27.740 0.025 0.000 1.959 963 C HN 0.454 nan 8.230 nan 0.000 0.500 964 N N 1.291 119.869 118.700 -0.204 0.000 2.106 964 N HA -0.060 4.680 4.740 -0.000 0.000 0.188 964 N C 0.964 176.364 175.510 -0.184 0.000 1.029 964 N CA 1.606 54.511 53.050 -0.241 0.000 0.848 964 N CB -0.464 37.772 38.487 -0.418 0.000 1.007 964 N HN 0.553 nan 8.380 nan 0.000 0.423 965 D N -1.235 119.062 120.400 -0.172 0.000 2.369 965 D HA 0.200 4.840 4.640 -0.000 0.000 0.211 965 D C 0.163 176.389 176.300 -0.123 0.000 1.077 965 D CA 0.295 54.213 54.000 -0.137 0.000 0.842 965 D CB 0.421 41.147 40.800 -0.124 0.000 0.947 965 D HN 0.002 nan 8.370 nan 0.000 0.509 966 S N -0.927 114.698 115.700 -0.125 0.000 2.993 966 S HA 0.423 4.893 4.470 -0.000 0.000 0.257 966 S C 0.676 175.198 174.600 -0.131 0.000 0.997 966 S CA -0.251 57.883 58.200 -0.111 0.000 1.191 966 S CB 1.843 64.999 63.200 -0.072 0.000 1.143 966 S HN 0.300 nan 8.310 nan 0.000 0.655 967 G N 0.438 109.132 108.800 -0.177 0.000 3.310 967 G HA2 0.490 4.450 3.960 -0.000 0.000 0.174 967 G HA3 0.490 4.450 3.960 -0.000 0.000 0.174 967 G C -0.918 173.669 174.900 -0.523 0.000 1.097 967 G CA -0.306 44.667 45.100 -0.210 0.000 0.795 967 G HN 0.250 nan 8.290 nan 0.000 0.670 968 Y N 0.462 120.760 120.300 -0.004 0.000 2.706 968 Y HA 0.335 4.885 4.550 -0.000 0.000 0.255 968 Y C 0.538 176.443 175.900 0.008 0.000 1.163 968 Y CA -0.588 57.518 58.100 0.009 0.000 1.174 968 Y CB 0.633 39.112 38.460 0.031 0.000 1.200 968 Y HN 0.298 nan 8.280 nan 0.000 0.544 969 Q N -0.060 119.774 119.800 0.055 0.000 2.435 969 Q HA -0.245 4.095 4.340 -0.000 0.000 0.312 969 Q C 0.976 177.039 176.000 0.105 0.000 1.333 969 Q CA 0.889 56.715 55.803 0.039 0.000 0.883 969 Q CB -1.654 27.092 28.738 0.013 0.000 1.170 969 Q HN 0.580 nan 8.270 nan 0.000 0.443 970 A N -0.803 122.097 122.820 0.133 0.000 2.348 970 A HA 0.389 4.709 4.320 -0.000 0.000 0.224 970 A C 0.491 178.158 177.584 0.139 0.000 1.227 970 A CA -0.059 52.059 52.037 0.134 0.000 0.885 970 A CB 0.577 19.657 19.000 0.134 0.000 0.933 970 A HN 0.416 nan 8.150 nan 0.000 0.506 971 I N 0.740 121.418 120.570 0.180 0.000 2.377 971 I HA 0.210 4.380 4.170 -0.000 0.000 0.293 971 I C -0.403 175.890 176.117 0.293 0.000 0.987 971 I CA -0.436 60.997 61.300 0.221 0.000 1.185 971 I CB 1.783 39.931 38.000 0.247 0.000 1.341 971 I HN 0.228 nan 8.210 nan 0.000 0.455 972 Q N 4.918 124.832 119.800 0.191 0.000 2.257 972 Q HA 0.390 4.730 4.340 -0.000 0.000 0.255 972 Q C -1.283 174.768 176.000 0.085 0.000 0.920 972 Q CA -0.498 55.391 55.803 0.144 0.000 0.927 972 Q CB 2.327 31.120 28.738 0.092 0.000 1.229 972 Q HN 0.409 nan 8.270 nan 0.000 0.433 973 F N 2.482 122.230 119.950 -0.337 0.000 2.382 973 F HA 0.201 4.728 4.527 -0.000 0.000 0.361 973 F C -0.405 175.273 175.800 -0.204 0.000 1.109 973 F CA -1.535 56.191 58.000 -0.457 0.000 1.031 973 F CB 0.948 39.218 39.000 -1.217 0.000 1.234 973 F HN 0.488 nan 8.300 nan 0.000 0.445 974 D N 8.102 128.311 120.400 -0.319 0.000 2.450 974 D HA 0.110 4.750 4.640 -0.000 0.000 0.247 974 D C -1.454 174.732 176.300 -0.191 0.000 1.162 974 D CA -1.039 52.839 54.000 -0.205 0.000 0.879 974 D CB 1.258 41.968 40.800 -0.151 0.000 1.163 974 D HN 0.296 nan 8.370 nan 0.000 0.472 975 P HA -0.125 nan 4.420 nan 0.000 0.226 975 P C 0.363 177.757 177.300 0.157 0.000 1.153 975 P CA 0.955 64.109 63.100 0.091 0.000 0.777 975 P CB 0.486 32.238 31.700 0.087 0.000 0.794 976 E N -0.491 119.766 120.200 0.095 0.000 2.206 976 E HA -0.003 4.347 4.350 -0.000 0.000 0.195 976 E C 1.965 178.718 176.600 0.254 0.000 0.935 976 E CA 1.590 58.093 56.400 0.172 0.000 0.875 976 E CB -0.876 28.909 29.700 0.142 0.000 0.841 976 E HN 0.355 nan 8.360 nan 0.000 0.477 977 T N -2.491 112.068 114.554 0.008 0.000 3.044 977 T HA 0.020 4.370 4.350 -0.000 0.000 0.250 977 T C 0.289 175.072 174.700 0.138 0.000 1.081 977 T CA 0.109 62.103 62.100 -0.177 0.000 1.040 977 T CB -0.087 68.511 68.868 -0.450 0.000 0.962 977 T HN 0.018 nan 8.240 nan 0.000 0.506 978 H N 0.336 119.326 119.070 -0.134 0.000 2.791 978 H HA -0.087 4.469 4.556 -0.000 0.000 0.302 978 H C -0.508 174.581 175.328 -0.397 0.000 1.198 978 H CA 0.016 55.723 56.048 -0.567 0.000 1.145 978 H CB -2.383 27.345 29.762 -0.057 0.000 1.385 978 H HN 0.495 nan 8.280 nan 0.000 0.409 979 L N 1.561 122.661 121.223 -0.204 0.000 2.295 979 L HA 0.416 4.756 4.340 -0.000 0.000 0.285 979 L C -1.862 175.017 176.870 0.016 0.000 1.035 979 L CA -1.670 53.147 54.840 -0.039 0.000 0.806 979 L CB 1.818 43.831 42.059 -0.077 0.000 1.214 979 L HN -0.061 nan 8.230 nan 0.000 0.426 980 P HA 0.304 nan 4.420 nan 0.000 0.292 980 P C -1.079 176.287 177.300 0.111 0.000 1.283 980 P CA -0.489 62.744 63.100 0.221 0.000 0.835 980 P CB 1.751 33.608 31.700 0.262 0.000 1.017 981 T N 1.770 116.384 114.554 0.100 0.000 2.840 981 T HA 0.275 4.625 4.350 -0.000 0.000 0.287 981 T C -0.176 174.574 174.700 0.083 0.000 0.991 981 T CA -0.408 61.735 62.100 0.070 0.000 0.964 981 T CB 0.860 69.757 68.868 0.049 0.000 0.954 981 T HN 0.060 nan 8.240 nan 0.000 0.438 982 V N 4.843 124.799 119.914 0.070 0.000 2.488 982 V HA 0.380 4.500 4.120 -0.000 0.000 0.277 982 V C 1.210 177.341 176.094 0.061 0.000 1.046 982 V CA -0.355 61.987 62.300 0.070 0.000 0.986 982 V CB 0.849 32.704 31.823 0.054 0.000 0.989 982 V HN 1.082 nan 8.190 nan 0.000 0.475 983 T N 0.291 114.887 114.554 0.070 0.000 2.884 983 T HA 0.265 4.615 4.350 -0.000 0.000 0.277 983 T C 0.795 175.527 174.700 0.054 0.000 0.976 983 T CA -0.562 61.574 62.100 0.060 0.000 0.956 983 T CB 1.019 69.929 68.868 0.069 0.000 1.113 983 T HN 0.471 nan 8.240 nan 0.000 0.554 984 D N 0.669 121.098 120.400 0.049 0.000 2.265 984 D HA -0.049 4.590 4.640 -0.000 0.000 0.208 984 D C 2.168 178.500 176.300 0.054 0.000 0.977 984 D CA 1.770 55.797 54.000 0.046 0.000 0.871 984 D CB -0.472 40.353 40.800 0.041 0.000 0.925 984 D HN 0.834 nan 8.370 nan 0.000 0.485 985 T N -2.394 112.197 114.554 0.061 0.000 3.160 985 T HA -0.039 4.311 4.350 -0.000 0.000 0.257 985 T C 1.310 176.045 174.700 0.057 0.000 1.147 985 T CA -0.309 61.831 62.100 0.068 0.000 1.064 985 T CB -0.957 67.964 68.868 0.088 0.000 0.949 985 T HN 0.145 nan 8.240 nan 0.000 0.526 986 C N 3.821 123.149 119.300 0.046 0.000 2.634 986 C HA 0.366 4.826 4.460 -0.000 0.000 0.417 986 C C 2.097 177.055 174.990 -0.052 0.000 1.334 986 C CA 0.596 59.620 59.018 0.009 0.000 1.829 986 C CB 0.010 27.758 27.740 0.014 0.000 2.665 986 C HN 0.714 nan 8.230 nan 0.000 0.614 987 T N 0.908 115.351 114.554 -0.186 0.000 3.044 987 T HA 0.334 4.684 4.350 -0.000 0.000 0.260 987 T C 1.227 175.780 174.700 -0.244 0.000 1.019 987 T CA 0.881 62.832 62.100 -0.248 0.000 0.921 987 T CB -0.036 68.462 68.868 -0.617 0.000 1.053 987 T HN 2.205 nan 8.240 nan 0.000 0.533 988 G N 1.300 110.007 108.800 -0.156 0.000 2.160 988 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.251 988 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.251 988 G C 1.328 176.183 174.900 -0.074 0.000 1.008 988 G CA 0.483 45.513 45.100 -0.117 0.000 0.724 988 G HN 1.257 nan 8.290 nan 0.000 0.514 989 C N -1.948 117.328 119.300 -0.039 0.000 2.410 989 C HA 0.209 4.669 4.460 -0.000 0.000 0.281 989 C C 2.287 177.294 174.990 0.028 0.000 1.318 989 C CA 1.607 60.644 59.018 0.032 0.000 1.776 989 C CB -1.161 26.669 27.740 0.150 0.000 1.942 989 C HN 1.670 nan 8.230 nan 0.000 0.508 990 T N -0.325 114.240 114.554 0.019 0.000 5.686 990 T HA -0.212 4.138 4.350 -0.000 0.000 0.270 990 T C 0.559 175.271 174.700 0.020 0.000 2.203 990 T CA 1.017 63.124 62.100 0.012 0.000 3.730 990 T CB -1.968 66.900 68.868 0.000 0.000 0.770 990 T HN 0.708 nan 8.240 nan 0.000 1.144 991 L N 0.800 122.044 121.223 0.034 0.000 2.056 991 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 991 L C 3.087 179.965 176.870 0.014 0.000 1.078 991 L CA 2.280 57.135 54.840 0.024 0.000 0.749 991 L CB -0.487 41.590 42.059 0.029 0.000 0.901 991 L HN 0.862 nan 8.230 nan 0.000 0.433 992 C N -1.155 118.158 119.300 0.021 0.000 2.413 992 C HA -0.209 4.251 4.460 -0.000 0.000 0.276 992 C C 2.571 177.567 174.990 0.011 0.000 1.236 992 C CA 0.518 59.545 59.018 0.015 0.000 1.735 992 C CB -1.299 26.459 27.740 0.028 0.000 2.031 992 C HN 0.565 nan 8.230 nan 0.000 0.474 993 L N 1.757 122.988 121.223 0.013 0.000 2.079 993 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 993 L C 2.650 179.523 176.870 0.006 0.000 1.081 993 L CA 2.129 56.975 54.840 0.010 0.000 0.752 993 L CB -0.411 41.652 42.059 0.007 0.000 0.896 993 L HN 0.440 nan 8.230 nan 0.000 0.433 994 S N -0.841 114.862 115.700 0.005 0.000 2.447 994 S HA -0.109 4.361 4.470 -0.000 0.000 0.233 994 S C 1.554 176.153 174.600 -0.002 0.000 1.006 994 S CA 1.276 59.477 58.200 0.002 0.000 0.957 994 S CB -0.105 63.096 63.200 0.002 0.000 0.773 994 S HN 0.591 nan 8.310 nan 0.000 0.507 995 V N -1.921 117.991 119.914 -0.004 0.000 3.578 995 V HA 0.364 4.484 4.120 -0.000 0.000 0.290 995 V C 0.776 176.864 176.094 -0.010 0.000 1.376 995 V CA -0.772 61.521 62.300 -0.011 0.000 1.083 995 V CB -0.922 30.889 31.823 -0.021 0.000 0.911 995 V HN 0.444 nan 8.190 nan 0.000 0.433 996 C N 4.577 123.876 119.300 -0.002 0.000 2.648 996 C HA 0.407 4.867 4.460 -0.000 0.000 0.415 996 C C 0.453 175.446 174.990 0.005 0.000 1.366 996 C CA -0.425 58.594 59.018 0.002 0.000 1.756 996 C CB 0.775 28.521 27.740 0.010 0.000 2.549 996 C HN 0.589 nan 8.230 nan 0.000 0.597 997 P HA 0.027 nan 4.420 nan 0.000 0.229 997 P C 0.160 177.472 177.300 0.019 0.000 1.160 997 P CA 0.994 64.099 63.100 0.008 0.000 0.777 997 P CB -0.032 31.670 31.700 0.005 0.000 0.814 998 I N 1.614 122.198 120.570 0.024 0.000 2.312 998 I HA 0.217 4.387 4.170 -0.000 0.000 0.290 998 I C 1.010 177.156 176.117 0.048 0.000 1.008 998 I CA -1.908 59.417 61.300 0.041 0.000 1.226 998 I CB 0.673 38.684 38.000 0.018 0.000 1.371 998 I HN -0.171 nan 8.210 nan 0.000 0.468 999 I N 6.575 127.184 120.570 0.064 0.000 2.742 999 I HA -0.063 4.107 4.170 -0.000 0.000 0.287 999 I C 0.607 176.760 176.117 0.060 0.000 1.186 999 I CA 0.594 61.925 61.300 0.052 0.000 1.417 999 I CB -0.023 38.002 38.000 0.043 0.000 1.377 999 I HN 0.596 nan 8.210 nan 0.000 0.556 1000 D N 2.790 123.214 120.400 0.039 0.000 3.076 1000 D HA -0.224 4.416 4.640 -0.000 0.000 0.218 1000 D C 1.117 177.436 176.300 0.033 0.000 1.156 1000 D CA 0.980 55.001 54.000 0.034 0.000 0.921 1000 D CB -1.361 39.461 40.800 0.036 0.000 1.113 1000 D HN 0.823 nan 8.370 nan 0.000 0.418 1001 C N 0.197 119.515 119.300 0.030 0.000 2.466 1001 C HA 0.089 4.549 4.460 -0.000 0.000 0.278 1001 C C 1.235 176.236 174.990 0.017 0.000 1.288 1001 C CA 0.218 59.247 59.018 0.018 0.000 1.722 1001 C CB -0.464 27.283 27.740 0.011 0.000 2.017 1001 C HN 0.342 nan 8.230 nan 0.000 0.488 1002 I N 1.338 121.919 120.570 0.018 0.000 2.392 1002 I HA 0.456 4.626 4.170 -0.000 0.000 0.295 1002 I C -0.077 176.047 176.117 0.012 0.000 0.985 1002 I CA -0.168 61.142 61.300 0.017 0.000 1.221 1002 I CB 1.012 39.023 38.000 0.018 0.000 1.366 1002 I HN 0.240 nan 8.210 nan 0.000 0.467 1003 R N 5.443 125.948 120.500 0.008 0.000 2.725 1003 R HA 0.599 4.938 4.340 -0.000 0.000 0.277 1003 R C -1.246 175.052 176.300 -0.004 0.000 0.987 1003 R CA -1.080 55.022 56.100 0.002 0.000 0.901 1003 R CB 2.298 32.600 30.300 0.003 0.000 1.207 1003 R HN 0.397 nan 8.270 nan 0.000 0.463 1004 M N 2.892 122.485 119.600 -0.012 0.000 2.188 1004 M HA 0.309 4.789 4.480 -0.000 0.000 0.357 1004 M C -0.167 176.118 176.300 -0.025 0.000 1.204 1004 M CA -0.732 54.555 55.300 -0.022 0.000 1.095 1004 M CB 1.008 33.590 32.600 -0.031 0.000 1.604 1004 M HN 0.481 nan 8.290 nan 0.000 0.464 1005 V N 0.165 120.063 119.914 -0.027 0.000 2.914 1005 V HA 0.654 4.774 4.120 -0.000 0.000 0.314 1005 V C 0.183 176.255 176.094 -0.037 0.000 1.084 1005 V CA -0.967 61.317 62.300 -0.026 0.000 0.963 1005 V CB 1.777 33.590 31.823 -0.016 0.000 1.025 1005 V HN 0.841 nan 8.190 nan 0.000 0.432 1006 S N 2.065 117.744 115.700 -0.035 0.000 2.575 1006 S HA 0.130 4.600 4.470 -0.000 0.000 0.295 1006 S C 0.464 175.041 174.600 -0.038 0.000 1.267 1006 S CA -0.112 58.063 58.200 -0.041 0.000 1.074 1006 S CB -0.310 62.870 63.200 -0.032 0.000 0.829 1006 S HN 0.911 nan 8.310 nan 0.000 0.497 1007 R N 2.564 123.033 120.500 -0.052 0.000 2.489 1007 R HA 0.075 4.415 4.340 -0.000 0.000 0.287 1007 R C 1.355 177.645 176.300 -0.016 0.000 1.053 1007 R CA 0.744 56.820 56.100 -0.039 0.000 1.036 1007 R CB 0.298 30.559 30.300 -0.065 0.000 0.966 1007 R HN 0.855 nan 8.270 nan 0.000 0.432 1008 T N -1.269 113.283 114.554 -0.003 0.000 3.023 1008 T HA 0.040 4.390 4.350 -0.000 0.000 0.253 1008 T C 0.513 175.221 174.700 0.014 0.000 1.038 1008 T CA 0.152 62.254 62.100 0.003 0.000 0.962 1008 T CB 0.216 69.086 68.868 0.002 0.000 1.018 1008 T HN 0.607 nan 8.240 nan 0.000 0.521 1009 T N 0.428 114.995 114.554 0.022 0.000 2.855 1009 T HA 0.637 4.987 4.350 -0.000 0.000 0.281 1009 T C -3.181 171.552 174.700 0.055 0.000 1.007 1009 T CA -2.290 59.830 62.100 0.033 0.000 1.009 1009 T CB 1.248 70.136 68.868 0.032 0.000 0.983 1009 T HN -0.169 nan 8.240 nan 0.000 0.455 1010 P HA -0.004 nan 4.420 nan 0.000 0.263 1010 P C -1.472 175.898 177.300 0.117 0.000 1.162 1010 P CA 0.236 63.375 63.100 0.066 0.000 0.758 1010 P CB -0.023 31.696 31.700 0.032 0.000 0.773 1011 Y N 2.572 122.862 120.300 -0.017 0.000 2.409 1011 Y HA 0.489 5.039 4.550 -0.000 0.000 0.343 1011 Y C -0.340 175.549 175.900 -0.018 0.000 0.973 1011 Y CA -0.908 57.177 58.100 -0.024 0.000 1.064 1011 Y CB 1.741 40.183 38.460 -0.031 0.000 1.207 1011 Y HN 0.332 nan 8.280 nan 0.000 0.452 1012 E N 7.425 127.175 120.200 -0.749 0.000 2.294 1012 E HA 0.364 4.714 4.350 -0.000 0.000 0.272 1012 E C -2.829 173.317 176.600 -0.757 0.000 0.896 1012 E CA -2.284 53.770 56.400 -0.576 0.000 0.802 1012 E CB 1.604 31.151 29.700 -0.255 0.000 1.267 1012 E HN 0.481 nan 8.360 nan 0.000 0.406 1013 P HA -0.015 nan 4.420 nan 0.000 0.264 1013 P C -1.080 176.106 177.300 -0.190 0.000 1.183 1013 P CA 0.206 63.082 63.100 -0.375 0.000 0.763 1013 P CB 0.426 32.044 31.700 -0.138 0.000 0.807 1014 K N 3.560 123.905 120.400 -0.091 0.000 2.310 1014 K HA 0.150 4.470 4.320 -0.000 0.000 0.290 1014 K C 1.017 177.623 176.600 0.010 0.000 1.077 1014 K CA -0.361 55.914 56.287 -0.020 0.000 0.922 1014 K CB 0.747 33.279 32.500 0.054 0.000 1.057 1014 K HN 0.223 nan 8.250 nan 0.000 0.479 1015 R N 1.423 121.918 120.500 -0.007 0.000 2.317 1015 R HA 0.048 4.388 4.340 -0.000 0.000 0.208 1015 R C 1.149 177.455 176.300 0.008 0.000 0.914 1015 R CA 0.487 56.588 56.100 0.002 0.000 1.060 1015 R CB 0.020 30.315 30.300 -0.009 0.000 1.015 1015 R HN 1.068 nan 8.270 nan 0.000 0.498 1016 G N 1.404 110.211 108.800 0.012 0.000 2.189 1016 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.267 1016 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.267 1016 G C 0.590 175.492 174.900 0.005 0.000 0.975 1016 G CA 0.379 45.486 45.100 0.012 0.000 0.644 1016 G HN 0.252 nan 8.290 nan 0.000 0.537 1017 L N 0.000 121.223 121.223 0.001 0.000 2.949 1017 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 1017 L CA 0.000 54.838 54.840 -0.003 0.000 0.813 1017 L CB 0.000 42.054 42.059 -0.007 0.000 0.961 1017 L HN 0.000 nan 8.230 nan 0.000 0.502