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 1gte_1_B 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 PHXXXXXXMG 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 XXXXXXERKP FIPKKPIPAI KDVIGKALQY LGTFGELSNI EQVVAVIDEE DATA SEQUENCE MCINCGKCYM TCNDSGYQAI QFDPETHLPT VTDTCTGCTL CLSVCPIIDC DATA SEQUENCE IRMVSRTTPY EPKRGLP 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 0.000 177.584 177.584 0.000 0.000 1.274 2 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 2 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 3 P HA 0.601 nan 4.420 nan 0.000 0.279 3 P C -0.880 176.421 177.300 0.001 0.000 1.276 3 P CA -0.636 62.465 63.100 0.001 0.000 0.801 3 P CB 0.676 32.377 31.700 0.002 0.000 1.127 4 V N 2.105 122.020 119.914 0.001 0.000 2.370 4 V HA 0.016 4.136 4.120 -0.000 0.000 0.257 4 V C 1.622 177.715 176.094 -0.001 0.000 1.064 4 V CA 0.127 62.426 62.300 -0.000 0.000 0.975 4 V CB -0.263 31.560 31.823 -0.000 0.000 1.067 4 V HN 0.524 nan 8.190 nan 0.000 0.485 5 L N 3.684 124.906 121.223 -0.002 0.000 2.083 5 L HA -0.101 4.238 4.340 -0.000 0.000 0.209 5 L C 2.274 179.141 176.870 -0.005 0.000 1.083 5 L CA 1.636 56.475 54.840 -0.002 0.000 0.752 5 L CB -0.302 41.756 42.059 -0.003 0.000 0.899 5 L HN 0.837 nan 8.230 nan 0.000 0.433 6 S N -1.343 114.353 115.700 -0.007 0.000 2.754 6 S HA 0.114 4.584 4.470 -0.000 0.000 0.223 6 S C 0.409 175.002 174.600 -0.011 0.000 0.951 6 S CA -0.183 58.011 58.200 -0.011 0.000 0.954 6 S CB -0.295 62.898 63.200 -0.012 0.000 0.780 6 S HN 0.255 nan 8.310 nan 0.000 0.509 7 K N 1.259 121.655 120.400 -0.006 0.000 2.371 7 K HA 0.354 4.674 4.320 -0.000 0.000 0.251 7 K C -1.351 175.248 176.600 -0.002 0.000 0.934 7 K CA -0.778 55.506 56.287 -0.004 0.000 0.798 7 K CB 1.207 33.706 32.500 -0.001 0.000 1.204 7 K HN 0.157 nan 8.250 nan 0.000 0.427 8 D N 2.424 122.823 120.400 -0.001 0.000 2.351 8 D HA 0.058 4.698 4.640 -0.000 0.000 0.251 8 D C 0.443 176.749 176.300 0.010 0.000 1.137 8 D CA -0.095 53.907 54.000 0.004 0.000 0.879 8 D CB 1.277 42.079 40.800 0.004 0.000 1.181 8 D HN 0.244 nan 8.370 nan 0.000 0.448 9 V N -0.060 119.863 119.914 0.014 0.000 3.264 9 V HA 0.344 4.464 4.120 -0.000 0.000 0.304 9 V C 1.592 177.698 176.094 0.021 0.000 1.086 9 V CA -0.115 62.195 62.300 0.016 0.000 1.090 9 V CB 0.706 32.539 31.823 0.017 0.000 1.112 9 V HN 0.618 nan 8.190 nan 0.000 0.472 10 A N 0.266 123.098 122.820 0.021 0.000 1.915 10 A HA -0.257 4.063 4.320 -0.000 0.000 0.220 10 A C 1.799 179.402 177.584 0.032 0.000 1.198 10 A CA 2.471 54.523 52.037 0.025 0.000 0.647 10 A CB -1.108 17.905 19.000 0.022 0.000 0.825 10 A HN 1.055 nan 8.150 nan 0.000 0.456 11 D N -0.317 120.102 120.400 0.033 0.000 2.116 11 D HA -0.145 4.495 4.640 -0.000 0.000 0.193 11 D C 1.886 178.216 176.300 0.050 0.000 0.998 11 D CA 1.352 55.376 54.000 0.040 0.000 0.836 11 D CB -0.198 40.624 40.800 0.038 0.000 0.951 11 D HN 0.378 nan 8.370 nan 0.000 0.449 12 I N 0.729 121.325 120.570 0.043 0.000 2.353 12 I HA -0.132 4.038 4.170 -0.000 0.000 0.248 12 I C 2.341 178.486 176.117 0.046 0.000 1.119 12 I CA 0.711 62.038 61.300 0.045 0.000 1.417 12 I CB -1.057 36.961 38.000 0.031 0.000 1.078 12 I HN 0.133 nan 8.210 nan 0.000 0.421 13 E N 1.119 121.342 120.200 0.039 0.000 2.110 13 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 13 E C 2.228 178.864 176.600 0.060 0.000 0.988 13 E CA 1.618 58.042 56.400 0.040 0.000 0.804 13 E CB 0.243 29.962 29.700 0.032 0.000 0.745 13 E HN 0.353 nan 8.360 nan 0.000 0.458 14 S N 0.614 116.352 115.700 0.064 0.000 2.368 14 S HA -0.115 4.355 4.470 -0.000 0.000 0.224 14 S C 1.958 176.625 174.600 0.112 0.000 1.029 14 S CA 0.904 59.150 58.200 0.077 0.000 0.988 14 S CB -0.205 63.033 63.200 0.064 0.000 0.838 14 S HN 0.354 nan 8.310 nan 0.000 0.462 15 I N 1.161 121.803 120.570 0.120 0.000 2.493 15 I HA -0.065 4.105 4.170 -0.000 0.000 0.254 15 I C 1.116 177.392 176.117 0.265 0.000 1.160 15 I CA 1.068 62.478 61.300 0.183 0.000 1.445 15 I CB 0.057 38.153 38.000 0.159 0.000 1.086 15 I HN 0.227 nan 8.210 nan 0.000 0.433 16 L N 0.225 121.545 121.223 0.161 0.000 2.612 16 L HA 0.122 4.462 4.340 -0.000 0.000 0.230 16 L C 2.451 179.425 176.870 0.173 0.000 1.140 16 L CA 0.277 55.190 54.840 0.121 0.000 0.896 16 L CB -0.471 41.600 42.059 0.020 0.000 1.065 16 L HN 0.201 nan 8.230 nan 0.000 0.447 17 A N 0.465 123.403 122.820 0.196 0.000 1.927 17 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 17 A C 1.833 179.533 177.584 0.194 0.000 1.185 17 A CA 1.778 53.913 52.037 0.163 0.000 0.639 17 A CB -0.336 18.748 19.000 0.140 0.000 0.820 17 A HN 0.364 nan 8.150 nan 0.000 0.451 18 L N -0.345 121.063 121.223 0.308 0.000 2.628 18 L HA 0.227 4.567 4.340 -0.000 0.000 0.229 18 L C 0.527 177.617 176.870 0.366 0.000 1.137 18 L CA -0.131 54.899 54.840 0.317 0.000 0.909 18 L CB -0.865 41.390 42.059 0.326 0.000 1.137 18 L HN 0.318 nan 8.230 nan 0.000 0.470 19 N N 1.589 120.452 118.700 0.272 0.000 2.492 19 N HA 0.096 4.836 4.740 -0.000 0.000 0.262 19 N C -2.300 173.230 175.510 0.033 0.000 1.202 19 N CA -1.254 51.826 53.050 0.050 0.000 0.926 19 N CB 0.599 39.013 38.487 -0.121 0.000 1.078 19 N HN -0.043 nan 8.380 nan 0.000 0.454 20 P HA 0.103 nan 4.420 nan 0.000 0.268 20 P C -1.088 176.204 177.300 -0.013 0.000 1.204 20 P CA 0.367 63.463 63.100 -0.007 0.000 0.768 20 P CB 0.585 32.268 31.700 -0.029 0.000 0.842 21 R N 1.051 121.552 120.500 0.001 0.000 2.522 21 R HA 0.311 4.651 4.340 -0.000 0.000 0.283 21 R C -0.409 175.895 176.300 0.006 0.000 1.074 21 R CA -0.609 55.492 56.100 0.000 0.000 0.925 21 R CB 1.666 31.972 30.300 0.011 0.000 1.205 21 R HN 0.346 nan 8.270 nan 0.000 0.436 22 T N 3.579 118.132 114.554 -0.001 0.000 2.928 22 T HA 0.030 4.380 4.350 -0.000 0.000 0.305 22 T C 0.218 174.926 174.700 0.012 0.000 1.035 22 T CA -0.138 61.962 62.100 0.000 0.000 1.145 22 T CB 0.554 69.417 68.868 -0.009 0.000 0.963 22 T HN 0.177 nan 8.240 nan 0.000 0.545 23 Q N 1.744 121.556 119.800 0.020 0.000 2.259 23 Q HA 0.257 4.596 4.340 -0.000 0.000 0.246 23 Q C 1.128 177.140 176.000 0.021 0.000 0.920 23 Q CA -0.240 55.588 55.803 0.041 0.000 0.895 23 Q CB 1.358 30.131 28.738 0.058 0.000 1.220 23 Q HN 0.839 nan 8.270 nan 0.000 0.439 24 S N 0.513 116.238 115.700 0.041 0.000 2.575 24 S HA 0.112 4.582 4.470 -0.000 0.000 0.215 24 S C -0.010 174.398 174.600 -0.320 0.000 0.966 24 S CA 0.120 58.265 58.200 -0.092 0.000 0.911 24 S CB 0.079 63.241 63.200 -0.063 0.000 0.780 24 S HN 0.613 nan 8.310 nan 0.000 0.514 25 H N 0.094 119.164 119.070 -0.000 0.000 2.985 25 H HA 0.736 5.292 4.556 -0.000 0.000 0.360 25 H C -0.263 175.065 175.328 0.000 0.000 1.221 25 H CA -0.396 55.651 56.048 -0.002 0.000 1.121 25 H CB 1.234 30.992 29.762 -0.007 0.000 1.854 25 H HN 0.261 nan 8.280 nan 0.000 0.551 26 A N 0.938 123.835 122.820 0.129 0.000 2.386 26 A HA 0.622 4.941 4.320 -0.000 0.000 0.248 26 A C 0.273 177.896 177.584 0.065 0.000 1.082 26 A CA 0.149 52.230 52.037 0.073 0.000 0.789 26 A CB -0.174 18.857 19.000 0.051 0.000 1.025 26 A HN 0.792 nan 8.150 nan 0.000 0.490 27 A N 0.490 123.344 122.820 0.057 0.000 2.304 27 A HA 0.588 4.908 4.320 -0.000 0.000 0.271 27 A C -0.495 177.058 177.584 -0.051 0.000 1.091 27 A CA -0.277 51.776 52.037 0.025 0.000 0.812 27 A CB 0.349 19.441 19.000 0.154 0.000 1.056 27 A HN 1.349 nan 8.150 nan 0.000 0.489 28 L N 2.375 123.444 121.223 -0.257 0.000 2.372 28 L HA 0.523 4.863 4.340 -0.000 0.000 0.273 28 L C -1.239 175.314 176.870 -0.529 0.000 0.989 28 L CA 0.147 54.835 54.840 -0.252 0.000 0.841 28 L CB 0.922 42.875 42.059 -0.177 0.000 1.225 28 L HN 0.739 nan 8.230 nan 0.000 0.414 29 H N 2.508 121.588 119.070 0.015 0.000 3.017 29 H HA 0.345 4.901 4.556 -0.000 0.000 0.340 29 H C -0.444 174.895 175.328 0.017 0.000 1.014 29 H CA -0.558 55.501 56.048 0.018 0.000 1.341 29 H CB 1.952 31.727 29.762 0.023 0.000 1.739 29 H HN 0.634 nan 8.280 nan 0.000 0.506 30 S N 1.777 117.541 115.700 0.107 0.000 2.576 30 S HA 0.000 4.470 4.470 -0.000 0.000 0.272 30 S C 1.177 175.822 174.600 0.074 0.000 1.352 30 S CA 0.061 58.303 58.200 0.069 0.000 1.021 30 S CB 1.086 64.313 63.200 0.045 0.000 0.887 30 S HN 0.578 nan 8.310 nan 0.000 0.542 31 T N 1.641 116.226 114.554 0.052 0.000 2.788 31 T HA -0.098 4.251 4.350 -0.000 0.000 0.268 31 T C 1.614 176.338 174.700 0.041 0.000 1.044 31 T CA 1.426 63.554 62.100 0.045 0.000 1.139 31 T CB -0.517 68.372 68.868 0.034 0.000 0.867 31 T HN 0.545 nan 8.240 nan 0.000 0.454 32 L N 1.446 122.691 121.223 0.036 0.000 2.056 32 L HA 0.129 4.468 4.340 -0.000 0.000 0.207 32 L C 2.593 179.485 176.870 0.036 0.000 1.078 32 L CA 1.853 56.712 54.840 0.030 0.000 0.749 32 L CB -1.064 41.009 42.059 0.024 0.000 0.901 32 L HN 0.202 nan 8.230 nan 0.000 0.433 33 A N -0.698 122.152 122.820 0.049 0.000 1.908 33 A HA -0.192 4.127 4.320 -0.000 0.000 0.218 33 A C 2.287 179.906 177.584 0.057 0.000 1.181 33 A CA 1.680 53.752 52.037 0.059 0.000 0.627 33 A CB -0.511 18.544 19.000 0.091 0.000 0.818 33 A HN 0.385 nan 8.150 nan 0.000 0.445 34 K N 0.117 120.552 120.400 0.059 0.000 2.057 34 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 34 K C 1.923 178.552 176.600 0.049 0.000 1.050 34 K CA 1.481 57.797 56.287 0.048 0.000 0.935 34 K CB -0.338 32.190 32.500 0.046 0.000 0.715 34 K HN 0.535 nan 8.250 nan 0.000 0.439 35 K N 0.693 121.117 120.400 0.040 0.000 2.103 35 K HA -0.072 4.248 4.320 -0.000 0.000 0.207 35 K C 2.231 178.849 176.600 0.029 0.000 1.048 35 K CA 1.022 57.328 56.287 0.032 0.000 0.930 35 K CB -0.146 32.368 32.500 0.023 0.000 0.716 35 K HN 0.071 nan 8.250 nan 0.000 0.444 36 L N 0.322 121.561 121.223 0.026 0.000 2.156 36 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 36 L C 2.014 178.898 176.870 0.023 0.000 1.095 36 L CA 1.024 55.873 54.840 0.015 0.000 0.770 36 L CB -0.260 41.805 42.059 0.009 0.000 0.914 36 L HN 0.151 nan 8.230 nan 0.000 0.439 37 D N 0.003 120.436 120.400 0.055 0.000 2.249 37 D HA -0.152 4.488 4.640 -0.000 0.000 0.205 37 D C 2.165 178.572 176.300 0.178 0.000 0.962 37 D CA 0.629 54.691 54.000 0.104 0.000 0.860 37 D CB 0.231 41.116 40.800 0.141 0.000 0.955 37 D HN 0.020 nan 8.370 nan 0.000 0.505 38 K N 0.527 121.013 120.400 0.145 0.000 2.063 38 K HA -0.192 4.127 4.320 -0.000 0.000 0.208 38 K C 1.764 178.440 176.600 0.128 0.000 1.048 38 K CA 1.241 57.627 56.287 0.166 0.000 0.928 38 K CB 0.097 32.653 32.500 0.094 0.000 0.713 38 K HN 0.034 nan 8.250 nan 0.000 0.442 39 K N -0.880 119.549 120.400 0.048 0.000 2.209 39 K HA -0.208 4.112 4.320 -0.000 0.000 0.204 39 K C 2.013 178.574 176.600 -0.064 0.000 1.048 39 K CA 1.556 57.839 56.287 -0.007 0.000 0.940 39 K CB -0.255 32.222 32.500 -0.038 0.000 0.729 39 K HN 0.322 nan 8.250 nan 0.000 0.451 40 H N -0.865 118.060 119.070 -0.243 0.000 2.423 40 H HA -0.122 4.434 4.556 -0.000 0.000 0.297 40 H C 0.793 175.838 175.328 -0.472 0.000 1.075 40 H CA 1.628 57.372 56.048 -0.507 0.000 1.342 40 H CB 0.139 29.382 29.762 -0.866 0.000 1.395 40 H HN 0.271 nan 8.280 nan 0.000 0.530 41 W N 0.251 121.591 121.300 0.067 0.000 3.220 41 W HA 0.227 4.887 4.660 -0.000 0.000 0.328 41 W C 0.388 176.878 176.519 -0.049 0.000 1.205 41 W CA -0.762 56.517 57.345 -0.110 0.000 1.773 41 W CB 0.299 29.650 29.460 -0.182 0.000 1.086 41 W HN -0.161 nan 8.180 nan 0.000 0.622 42 K N 2.127 122.628 120.400 0.169 0.000 2.473 42 K HA -0.061 4.259 4.320 -0.000 0.000 0.277 42 K C 1.169 177.862 176.600 0.154 0.000 1.052 42 K CA 0.667 57.030 56.287 0.126 0.000 1.114 42 K CB 0.443 32.983 32.500 0.067 0.000 0.869 42 K HN -0.054 nan 8.250 nan 0.000 0.481 43 R N 2.061 122.635 120.500 0.123 0.000 2.121 43 R HA 0.054 4.394 4.340 -0.000 0.000 0.206 43 R C 0.504 176.851 176.300 0.079 0.000 1.094 43 R CA 0.457 56.632 56.100 0.126 0.000 1.055 43 R CB -0.583 29.778 30.300 0.102 0.000 0.964 43 R HN 0.820 nan 8.270 nan 0.000 0.473 44 N N 2.010 120.745 118.700 0.058 0.000 2.405 44 N HA 0.196 4.936 4.740 -0.000 0.000 0.269 44 N C -2.628 172.905 175.510 0.039 0.000 1.249 44 N CA -1.656 51.418 53.050 0.040 0.000 0.974 44 N CB -0.809 37.699 38.487 0.035 0.000 1.204 44 N HN -0.232 nan 8.380 nan 0.000 0.565 45 P HA 0.067 nan 4.420 nan 0.000 0.268 45 P C -0.760 176.565 177.300 0.041 0.000 1.205 45 P CA 0.172 63.297 63.100 0.041 0.000 0.771 45 P CB 0.279 32.012 31.700 0.055 0.000 0.858 46 D N 2.190 122.608 120.400 0.030 0.000 2.313 46 D HA 0.018 4.658 4.640 -0.000 0.000 0.239 46 D C 1.114 177.433 176.300 0.032 0.000 1.142 46 D CA -0.348 53.662 54.000 0.016 0.000 0.847 46 D CB 0.869 41.658 40.800 -0.018 0.000 1.082 46 D HN 0.346 nan 8.370 nan 0.000 0.480 47 K N 2.986 123.418 120.400 0.053 0.000 2.360 47 K HA -0.104 4.216 4.320 -0.000 0.000 0.201 47 K C 0.514 177.187 176.600 0.122 0.000 1.046 47 K CA 0.898 57.247 56.287 0.103 0.000 0.945 47 K CB 0.131 32.691 32.500 0.101 0.000 0.750 47 K HN 0.165 nan 8.250 nan 0.000 0.464 48 N N 0.454 119.141 118.700 -0.021 0.000 2.336 48 N HA -0.019 4.720 4.740 -0.000 0.000 0.189 48 N C -0.287 174.845 175.510 -0.629 0.000 1.113 48 N CA 0.167 53.069 53.050 -0.247 0.000 0.858 48 N CB 0.191 38.567 38.487 -0.185 0.000 0.970 48 N HN 0.213 nan 8.380 nan 0.000 0.471 49 C N 1.017 120.150 119.300 -0.278 0.000 2.303 49 C HA 0.354 4.814 4.460 -0.000 0.000 0.341 49 C C 1.282 176.289 174.990 0.029 0.000 1.244 49 C CA -0.582 58.316 59.018 -0.201 0.000 1.765 49 C CB -1.841 25.869 27.740 -0.050 0.000 2.379 49 C HN 0.361 nan 8.230 nan 0.000 0.530 50 F N 2.123 122.165 119.950 0.155 0.000 2.721 50 F HA 0.190 4.717 4.527 -0.000 0.000 0.301 50 F C 0.741 176.505 175.800 -0.061 0.000 1.096 50 F CA -0.408 57.625 58.000 0.056 0.000 1.308 50 F CB -0.003 39.007 39.000 0.016 0.000 1.086 50 F HN 0.601 nan 8.300 nan 0.000 0.587 51 H N -0.346 118.792 119.070 0.113 0.000 2.476 51 H HA 0.233 4.789 4.556 -0.000 0.000 0.328 51 H C -0.410 174.926 175.328 0.013 0.000 1.073 51 H CA -1.512 54.563 56.048 0.045 0.000 1.229 51 H CB 1.150 30.922 29.762 0.017 0.000 1.432 51 H HN 0.016 nan 8.280 nan 0.000 0.477 52 C N 4.802 124.142 119.300 0.067 0.000 2.601 52 C HA 0.161 4.621 4.460 -0.000 0.000 0.409 52 C C 0.907 175.906 174.990 0.015 0.000 1.293 52 C CA -0.450 58.583 59.018 0.024 0.000 2.101 52 C CB -0.982 26.743 27.740 -0.024 0.000 2.639 52 C HN 0.999 nan 8.230 nan 0.000 0.592 53 E N 4.182 124.381 120.200 -0.002 0.000 2.438 53 E HA 0.051 4.401 4.350 -0.000 0.000 0.261 53 E C -0.629 175.950 176.600 -0.036 0.000 1.103 53 E CA 0.026 56.416 56.400 -0.018 0.000 0.959 53 E CB 0.445 30.129 29.700 -0.027 0.000 0.958 53 E HN 0.639 nan 8.360 nan 0.000 0.447 54 K N 1.849 122.227 120.400 -0.037 0.000 2.379 54 K HA 0.119 4.439 4.320 -0.000 0.000 0.284 54 K C 0.139 176.696 176.600 -0.072 0.000 1.044 54 K CA 0.070 56.328 56.287 -0.047 0.000 0.974 54 K CB 0.494 32.973 32.500 -0.036 0.000 0.962 54 K HN 0.496 nan 8.250 nan 0.000 0.474 55 L N 2.154 123.318 121.223 -0.098 0.000 3.229 55 L HA 0.151 4.490 4.340 -0.000 0.000 0.286 55 L C 0.317 177.086 176.870 -0.168 0.000 1.239 55 L CA -0.164 54.586 54.840 -0.150 0.000 1.035 55 L CB 0.493 42.428 42.059 -0.206 0.000 1.408 55 L HN 0.662 nan 8.230 nan 0.000 0.593 56 E N 1.540 121.677 120.200 -0.104 0.000 2.417 56 E HA -0.130 4.220 4.350 -0.000 0.000 0.261 56 E C 0.511 177.069 176.600 -0.069 0.000 1.000 56 E CA 0.166 56.519 56.400 -0.078 0.000 0.919 56 E CB 0.248 29.930 29.700 -0.031 0.000 0.955 56 E HN 0.251 nan 8.360 nan 0.000 0.455 57 N N 3.043 121.704 118.700 -0.064 0.000 2.714 57 N HA -0.252 4.487 4.740 -0.000 0.000 0.250 57 N C -1.412 174.102 175.510 0.005 0.000 1.117 57 N CA 0.871 53.965 53.050 0.073 0.000 0.719 57 N CB -0.967 37.602 38.487 0.136 0.000 1.081 57 N HN 0.454 nan 8.380 nan 0.000 0.557 58 N N 0.527 119.065 118.700 -0.269 0.000 2.546 58 N HA 0.224 4.964 4.740 -0.000 0.000 0.238 58 N C -0.692 174.608 175.510 -0.352 0.000 0.984 58 N CA -0.255 52.684 53.050 -0.185 0.000 0.935 58 N CB -0.146 38.241 38.487 -0.167 0.000 1.122 58 N HN 0.185 nan 8.380 nan 0.000 0.510 59 F N 0.669 120.682 119.950 0.105 0.000 2.750 59 F HA 0.290 4.817 4.527 -0.000 0.000 0.297 59 F C 0.402 176.314 175.800 0.186 0.000 1.138 59 F CA -0.718 57.413 58.000 0.217 0.000 1.346 59 F CB 0.202 39.314 39.000 0.187 0.000 0.965 59 F HN 0.180 nan 8.300 nan 0.000 0.514 60 D N 0.745 121.262 120.400 0.195 0.000 2.399 60 D HA -0.057 4.583 4.640 -0.000 0.000 0.241 60 D C 0.032 176.438 176.300 0.176 0.000 1.133 60 D CA 0.126 54.217 54.000 0.153 0.000 0.890 60 D CB 0.586 41.434 40.800 0.079 0.000 1.201 60 D HN 0.060 nan 8.370 nan 0.000 0.432 61 D N 0.841 121.338 120.400 0.162 0.000 2.472 61 D HA -0.049 4.590 4.640 -0.000 0.000 0.248 61 D C 0.997 177.384 176.300 0.145 0.000 1.174 61 D CA 0.147 54.248 54.000 0.168 0.000 0.883 61 D CB 0.210 41.084 40.800 0.123 0.000 1.149 61 D HN 0.423 nan 8.370 nan 0.000 0.488 62 I N -0.090 120.588 120.570 0.180 0.000 4.018 62 I HA 0.227 4.397 4.170 -0.000 0.000 0.337 62 I C 0.293 176.538 176.117 0.214 0.000 1.327 62 I CA -0.692 60.700 61.300 0.153 0.000 1.100 62 I CB 0.031 38.079 38.000 0.081 0.000 1.025 62 I HN -0.023 nan 8.210 nan 0.000 0.396 63 K N 1.821 122.334 120.400 0.188 0.000 2.451 63 K HA 0.083 4.403 4.320 -0.000 0.000 0.280 63 K C 0.241 176.992 176.600 0.251 0.000 1.020 63 K CA 0.142 56.533 56.287 0.173 0.000 1.008 63 K CB 0.524 33.097 32.500 0.121 0.000 0.917 63 K HN 0.393 nan 8.250 nan 0.000 0.478 64 H N 0.354 119.452 119.070 0.046 0.000 2.535 64 H HA -0.057 4.499 4.556 -0.000 0.000 0.273 64 H C 1.494 176.840 175.328 0.031 0.000 0.983 64 H CA 1.073 57.142 56.048 0.036 0.000 1.238 64 H CB 0.473 30.255 29.762 0.033 0.000 1.412 64 H HN 0.682 nan 8.280 nan 0.000 0.562 65 T N -1.642 113.005 114.554 0.156 0.000 3.100 65 T HA -0.001 4.349 4.350 -0.000 0.000 0.253 65 T C 1.037 175.781 174.700 0.074 0.000 1.118 65 T CA -0.114 62.044 62.100 0.097 0.000 1.058 65 T CB -0.162 68.752 68.868 0.077 0.000 0.953 65 T HN -0.032 nan 8.240 nan 0.000 0.515 66 T N 3.133 117.732 114.554 0.076 0.000 2.908 66 T HA 0.403 4.753 4.350 -0.000 0.000 0.301 66 T C -0.220 174.495 174.700 0.025 0.000 1.019 66 T CA 0.140 62.275 62.100 0.059 0.000 1.152 66 T CB 0.149 69.053 68.868 0.060 0.000 0.966 66 T HN 0.284 nan 8.240 nan 0.000 0.540 67 L N 2.063 123.298 121.223 0.021 0.000 2.354 67 L HA 0.713 5.053 4.340 -0.000 0.000 0.269 67 L C 0.866 177.678 176.870 -0.096 0.000 1.005 67 L CA -1.051 53.750 54.840 -0.064 0.000 0.819 67 L CB 2.050 44.047 42.059 -0.104 0.000 1.311 67 L HN 0.737 nan 8.230 nan 0.000 0.423 68 G N -0.321 108.331 108.800 -0.247 0.000 2.552 68 G HA2 0.242 4.202 3.960 -0.000 0.000 0.318 68 G HA3 0.242 4.202 3.960 -0.000 0.000 0.318 68 G C 0.380 174.955 174.900 -0.543 0.000 1.240 68 G CA -0.260 44.660 45.100 -0.299 0.000 1.002 68 G HN 0.788 nan 8.290 nan 0.000 0.493 69 E N -0.574 119.379 120.200 -0.413 0.000 2.058 69 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 69 E C 2.290 178.664 176.600 -0.377 0.000 0.997 69 E CA 1.116 57.169 56.400 -0.579 0.000 0.801 69 E CB -0.063 29.609 29.700 -0.047 0.000 0.746 69 E HN 0.505 nan 8.360 nan 0.000 0.450 70 R N -0.113 120.275 120.500 -0.186 0.000 2.094 70 R HA -0.152 4.188 4.340 -0.000 0.000 0.239 70 R C 2.361 178.578 176.300 -0.139 0.000 1.137 70 R CA 1.885 57.927 56.100 -0.096 0.000 0.943 70 R CB -0.741 29.556 30.300 -0.005 0.000 0.850 70 R HN 0.296 nan 8.270 nan 0.000 0.433 71 G N -0.271 108.418 108.800 -0.185 0.000 2.408 71 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 71 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 71 G C 1.538 176.316 174.900 -0.204 0.000 1.150 71 G CA 0.743 45.747 45.100 -0.160 0.000 0.776 71 G HN 0.510 nan 8.290 nan 0.000 0.542 72 A N 0.628 123.217 122.820 -0.385 0.000 1.902 72 A HA 0.107 4.427 4.320 -0.000 0.000 0.217 72 A C 2.423 179.882 177.584 -0.209 0.000 1.181 72 A CA 1.190 52.980 52.037 -0.411 0.000 0.623 72 A CB -0.401 17.967 19.000 -1.054 0.000 0.818 72 A HN 0.347 nan 8.150 nan 0.000 0.443 73 L N -1.124 119.989 121.223 -0.183 0.000 2.046 73 L HA -0.191 4.148 4.340 -0.000 0.000 0.208 73 L C 2.905 179.762 176.870 -0.022 0.000 1.077 73 L CA 1.412 56.233 54.840 -0.033 0.000 0.747 73 L CB -0.479 41.584 42.059 0.007 0.000 0.896 73 L HN 0.362 nan 8.230 nan 0.000 0.432 74 R N -0.169 120.304 120.500 -0.045 0.000 2.073 74 R HA -0.212 4.128 4.340 -0.000 0.000 0.234 74 R C 2.261 178.549 176.300 -0.021 0.000 1.134 74 R CA 1.639 57.723 56.100 -0.026 0.000 0.952 74 R CB -0.245 30.036 30.300 -0.030 0.000 0.850 74 R HN 0.219 nan 8.270 nan 0.000 0.433 75 E N 0.689 120.869 120.200 -0.033 0.000 2.106 75 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 75 E C 1.765 178.360 176.600 -0.010 0.000 0.984 75 E CA 1.429 57.818 56.400 -0.019 0.000 0.806 75 E CB -0.086 29.601 29.700 -0.022 0.000 0.750 75 E HN 0.336 nan 8.360 nan 0.000 0.458 76 A N 0.134 122.953 122.820 -0.001 0.000 1.930 76 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 76 A C 2.210 179.801 177.584 0.011 0.000 1.175 76 A CA 1.635 53.681 52.037 0.015 0.000 0.627 76 A CB -0.482 18.557 19.000 0.064 0.000 0.815 76 A HN 0.334 nan 8.150 nan 0.000 0.443 77 M N -1.592 118.017 119.600 0.015 0.000 2.319 77 M HA -0.062 4.418 4.480 -0.000 0.000 0.265 77 M C 2.290 178.595 176.300 0.007 0.000 1.068 77 M CA 1.295 56.604 55.300 0.016 0.000 1.118 77 M CB -0.164 32.446 32.600 0.016 0.000 1.395 77 M HN 0.441 nan 8.290 nan 0.000 0.435 78 R N 0.054 120.554 120.500 0.001 0.000 2.090 78 R HA -0.044 4.296 4.340 -0.000 0.000 0.228 78 R C 0.813 177.112 176.300 -0.003 0.000 1.110 78 R CA 0.480 56.580 56.100 0.000 0.000 0.973 78 R CB -0.081 30.218 30.300 -0.002 0.000 0.869 78 R HN 0.437 nan 8.270 nan 0.000 0.440 79 C N 1.409 120.701 119.300 -0.014 0.000 2.538 79 C HA 0.011 4.471 4.460 -0.000 0.000 0.408 79 C C 1.928 176.906 174.990 -0.020 0.000 1.421 79 C CA -0.391 58.610 59.018 -0.028 0.000 1.642 79 C CB -0.544 27.159 27.740 -0.061 0.000 2.553 79 C HN 0.567 nan 8.230 nan 0.000 0.604 80 L N 3.931 125.145 121.223 -0.016 0.000 2.465 80 L HA 0.016 4.356 4.340 -0.000 0.000 0.224 80 L C 1.597 178.457 176.870 -0.016 0.000 1.145 80 L CA 0.590 55.426 54.840 -0.006 0.000 0.834 80 L CB -0.629 41.430 42.059 0.000 0.000 0.944 80 L HN 0.825 nan 8.230 nan 0.000 0.451 81 K N -0.126 120.250 120.400 -0.040 0.000 3.419 81 K HA -0.171 4.149 4.320 -0.000 0.000 0.272 81 K C -0.115 176.461 176.600 -0.041 0.000 0.973 81 K CA -0.054 56.201 56.287 -0.053 0.000 0.749 81 K CB -2.294 30.183 32.500 -0.039 0.000 1.403 81 K HN 0.321 nan 8.250 nan 0.000 0.456 82 C N 0.692 119.967 119.300 -0.041 0.000 2.703 82 C HA 0.390 4.850 4.460 -0.000 0.000 0.411 82 C C 1.621 176.592 174.990 -0.032 0.000 1.290 82 C CA -0.505 58.495 59.018 -0.030 0.000 2.054 82 C CB 0.026 27.751 27.740 -0.026 0.000 2.732 82 C HN 0.656 nan 8.230 nan 0.000 0.650 83 A N 1.306 124.113 122.820 -0.022 0.000 2.388 83 A HA 0.445 4.764 4.320 -0.000 0.000 0.257 83 A C 0.686 178.261 177.584 -0.016 0.000 1.095 83 A CA 0.119 52.145 52.037 -0.019 0.000 0.791 83 A CB -0.121 18.871 19.000 -0.014 0.000 1.029 83 A HN 1.107 nan 8.150 nan 0.000 0.489 84 D N 0.084 120.477 120.400 -0.012 0.000 2.702 84 D HA -0.135 4.505 4.640 -0.000 0.000 0.233 84 D C 0.493 176.783 176.300 -0.016 0.000 1.164 84 D CA 1.065 55.062 54.000 -0.004 0.000 0.638 84 D CB -1.170 39.633 40.800 0.006 0.000 1.041 84 D HN 1.154 nan 8.370 nan 0.000 0.422 85 A N 0.805 123.603 122.820 -0.036 0.000 2.591 85 A HA 0.157 4.477 4.320 -0.000 0.000 0.244 85 A C -0.463 177.096 177.584 -0.042 0.000 1.031 85 A CA 0.021 52.030 52.037 -0.046 0.000 0.767 85 A CB 0.369 19.325 19.000 -0.073 0.000 0.942 85 A HN 0.340 nan 8.150 nan 0.000 0.514 86 P HA -0.131 nan 4.420 nan 0.000 0.221 86 P C 1.580 178.863 177.300 -0.028 0.000 1.150 86 P CA 1.596 64.684 63.100 -0.020 0.000 0.800 86 P CB -0.424 31.269 31.700 -0.013 0.000 0.787 87 C N -0.490 118.786 119.300 -0.040 0.000 2.446 87 C HA -0.106 4.354 4.460 -0.000 0.000 0.277 87 C C 2.998 177.956 174.990 -0.052 0.000 1.275 87 C CA 0.924 59.918 59.018 -0.041 0.000 1.727 87 C CB -2.209 25.503 27.740 -0.048 0.000 2.010 87 C HN 0.214 nan 8.230 nan 0.000 0.486 88 Q N 1.465 121.210 119.800 -0.092 0.000 2.084 88 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 88 Q C 2.268 178.192 176.000 -0.127 0.000 0.978 88 Q CA 1.555 57.257 55.803 -0.169 0.000 0.844 88 Q CB -0.187 28.375 28.738 -0.293 0.000 0.898 88 Q HN 0.716 nan 8.270 nan 0.000 0.426 89 K N -0.162 120.210 120.400 -0.046 0.000 2.209 89 K HA -0.040 4.280 4.320 -0.000 0.000 0.204 89 K C 1.715 178.345 176.600 0.050 0.000 1.048 89 K CA 1.300 57.623 56.287 0.059 0.000 0.940 89 K CB 0.135 32.664 32.500 0.048 0.000 0.729 89 K HN 0.071 nan 8.250 nan 0.000 0.451 90 S N 0.247 115.953 115.700 0.010 0.000 2.575 90 S HA 0.012 4.482 4.470 -0.000 0.000 0.215 90 S C 0.357 174.961 174.600 0.007 0.000 0.966 90 S CA -0.301 57.901 58.200 0.004 0.000 0.911 90 S CB -0.062 63.130 63.200 -0.014 0.000 0.780 90 S HN 0.335 nan 8.310 nan 0.000 0.514 91 C N 3.420 122.730 119.300 0.016 0.000 2.285 91 C HA 0.462 4.922 4.460 -0.000 0.000 0.335 91 C C -1.586 173.430 174.990 0.044 0.000 1.267 91 C CA -2.170 56.860 59.018 0.019 0.000 1.762 91 C CB 0.516 28.261 27.740 0.008 0.000 2.365 91 C HN 0.245 nan 8.230 nan 0.000 0.527 92 P HA -0.091 nan 4.420 nan 0.000 0.219 92 P C 1.247 178.569 177.300 0.037 0.000 1.146 92 P CA 1.824 64.940 63.100 0.027 0.000 0.808 92 P CB 0.065 31.771 31.700 0.010 0.000 0.779 93 T N -6.544 108.034 114.554 0.039 0.000 3.122 93 T HA 0.153 4.503 4.350 -0.000 0.000 0.250 93 T C 0.404 175.171 174.700 0.112 0.000 1.067 93 T CA -0.274 61.853 62.100 0.045 0.000 0.966 93 T CB -1.054 67.825 68.868 0.017 0.000 1.002 93 T HN 0.073 nan 8.240 nan 0.000 0.542 94 H N -0.228 118.835 119.070 -0.012 0.000 2.741 94 H HA -0.114 4.442 4.556 -0.000 0.000 0.305 94 H C -0.447 174.887 175.328 0.010 0.000 1.169 94 H CA -0.175 55.870 56.048 -0.006 0.000 1.144 94 H CB -2.288 27.462 29.762 -0.019 0.000 1.397 94 H HN 0.360 nan 8.280 nan 0.000 0.409 95 L N 1.101 122.315 121.223 -0.016 0.000 2.525 95 L HA 0.050 4.390 4.340 -0.000 0.000 0.278 95 L C 0.893 177.744 176.870 -0.033 0.000 1.218 95 L CA 0.828 55.673 54.840 0.009 0.000 0.878 95 L CB 0.348 42.449 42.059 0.070 0.000 1.127 95 L HN 0.386 nan 8.230 nan 0.000 0.492 96 D N 3.887 124.295 120.400 0.014 0.000 2.551 96 D HA 0.058 4.697 4.640 -0.000 0.000 0.223 96 D C 1.309 177.631 176.300 0.036 0.000 1.144 96 D CA 0.196 54.184 54.000 -0.020 0.000 1.025 96 D CB 0.091 40.891 40.800 -0.000 0.000 1.085 96 D HN 0.440 nan 8.370 nan 0.000 0.506 97 I N 2.076 122.617 120.570 -0.048 0.000 2.208 97 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 97 I C 2.483 178.334 176.117 -0.445 0.000 1.097 97 I CA 0.902 62.019 61.300 -0.305 0.000 1.363 97 I CB -0.123 37.742 38.000 -0.225 0.000 1.051 97 I HN 0.316 nan 8.210 nan 0.000 0.413 98 K N 0.988 121.250 120.400 -0.230 0.000 2.044 98 K HA -0.217 4.103 4.320 -0.000 0.000 0.210 98 K C 2.232 178.738 176.600 -0.156 0.000 1.049 98 K CA 2.209 58.389 56.287 -0.179 0.000 0.927 98 K CB -0.087 32.350 32.500 -0.106 0.000 0.713 98 K HN 0.176 nan 8.250 nan 0.000 0.443 99 S N 0.611 116.254 115.700 -0.096 0.000 2.355 99 S HA -0.113 4.357 4.470 -0.000 0.000 0.222 99 S C 1.636 176.249 174.600 0.021 0.000 1.031 99 S CA 1.355 59.534 58.200 -0.035 0.000 0.993 99 S CB -0.466 62.731 63.200 -0.005 0.000 0.859 99 S HN 0.560 nan 8.310 nan 0.000 0.453 100 F N 1.858 121.793 119.950 -0.024 0.000 2.234 100 F HA 0.131 4.658 4.527 -0.000 0.000 0.299 100 F C 1.691 177.513 175.800 0.035 0.000 1.087 100 F CA 0.663 58.660 58.000 -0.005 0.000 1.340 100 F CB -0.753 38.235 39.000 -0.019 0.000 1.031 100 F HN 0.104 nan 8.300 nan 0.000 0.500 101 I N 0.475 120.771 120.570 -0.456 0.000 2.439 101 I HA -0.211 3.959 4.170 -0.000 0.000 0.251 101 I C 2.230 178.324 176.117 -0.038 0.000 1.139 101 I CA 1.457 62.596 61.300 -0.268 0.000 1.438 101 I CB -0.849 36.896 38.000 -0.424 0.000 1.085 101 I HN 0.221 nan 8.210 nan 0.000 0.427 102 T N 0.179 114.705 114.554 -0.047 0.000 2.746 102 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 102 T C 2.138 176.878 174.700 0.067 0.000 1.039 102 T CA 1.768 63.873 62.100 0.008 0.000 1.142 102 T CB -0.124 68.736 68.868 -0.013 0.000 0.866 102 T HN 0.273 nan 8.240 nan 0.000 0.444 103 S N 1.035 116.790 115.700 0.091 0.000 2.368 103 S HA -0.005 4.465 4.470 -0.000 0.000 0.225 103 S C 2.032 176.740 174.600 0.180 0.000 1.030 103 S CA 0.888 59.161 58.200 0.122 0.000 0.999 103 S CB -0.409 62.867 63.200 0.128 0.000 0.844 103 S HN 0.429 nan 8.310 nan 0.000 0.459 104 I N 1.938 122.670 120.570 0.270 0.000 2.226 104 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 104 I C 2.669 178.959 176.117 0.289 0.000 1.100 104 I CA 1.398 62.943 61.300 0.408 0.000 1.374 104 I CB -0.551 37.703 38.000 0.425 0.000 1.057 104 I HN 0.378 nan 8.210 nan 0.000 0.413 105 S N 0.842 116.644 115.700 0.170 0.000 2.419 105 S HA -0.125 4.345 4.470 -0.000 0.000 0.233 105 S C 1.488 176.152 174.600 0.107 0.000 1.016 105 S CA 1.133 59.404 58.200 0.119 0.000 0.974 105 S CB -0.413 62.833 63.200 0.076 0.000 0.786 105 S HN 0.410 nan 8.310 nan 0.000 0.492 106 N N 1.475 120.236 118.700 0.102 0.000 2.314 106 N HA 0.230 4.969 4.740 -0.000 0.000 0.200 106 N C -0.214 175.301 175.510 0.009 0.000 1.135 106 N CA 0.124 53.220 53.050 0.078 0.000 0.835 106 N CB -0.063 38.494 38.487 0.117 0.000 0.989 106 N HN 0.525 nan 8.380 nan 0.000 0.478 107 K N -0.707 119.670 120.400 -0.038 0.000 3.341 107 K HA -0.205 4.115 4.320 -0.000 0.000 0.305 107 K C -0.252 175.978 176.600 -0.616 0.000 1.270 107 K CA 0.491 56.564 56.287 -0.356 0.000 0.897 107 K CB -1.540 30.855 32.500 -0.174 0.000 1.264 107 K HN 0.130 nan 8.250 nan 0.000 0.468 108 N N 0.808 119.354 118.700 -0.257 0.000 3.083 108 N HA 0.152 4.892 4.740 -0.000 0.000 0.260 108 N C 0.399 175.932 175.510 0.038 0.000 1.163 108 N CA -0.257 52.737 53.050 -0.094 0.000 1.060 108 N CB -0.017 38.498 38.487 0.046 0.000 1.345 108 N HN 0.208 nan 8.380 nan 0.000 0.515 109 Y N 0.233 120.664 120.300 0.217 0.000 2.293 109 Y HA -0.229 4.321 4.550 -0.000 0.000 0.291 109 Y C 1.630 177.622 175.900 0.153 0.000 1.137 109 Y CA 0.616 58.826 58.100 0.182 0.000 1.202 109 Y CB -0.219 38.335 38.460 0.156 0.000 0.990 109 Y HN 0.471 nan 8.280 nan 0.000 0.537 110 Y N 0.914 121.349 120.300 0.226 0.000 2.114 110 Y HA -0.150 4.400 4.550 -0.000 0.000 0.284 110 Y C 2.430 178.343 175.900 0.021 0.000 1.143 110 Y CA 1.388 59.568 58.100 0.133 0.000 1.135 110 Y CB -0.884 37.659 38.460 0.139 0.000 0.980 110 Y HN 0.021 nan 8.280 nan 0.000 0.499 111 G N -0.063 108.683 108.800 -0.090 0.000 2.442 111 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.219 111 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.219 111 G C 1.804 176.609 174.900 -0.157 0.000 1.141 111 G CA 1.117 46.107 45.100 -0.183 0.000 0.763 111 G HN 0.652 nan 8.290 nan 0.000 0.554 112 A N 1.218 124.032 122.820 -0.011 0.000 1.877 112 A HA 0.286 4.606 4.320 -0.000 0.000 0.216 112 A C 2.844 180.359 177.584 -0.117 0.000 1.186 112 A CA 2.286 54.367 52.037 0.073 0.000 0.620 112 A CB -0.883 18.269 19.000 0.253 0.000 0.822 112 A HN 0.799 nan 8.150 nan 0.000 0.443 113 A N -0.205 122.498 122.820 -0.194 0.000 1.902 113 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 113 A C 2.141 179.453 177.584 -0.453 0.000 1.181 113 A CA 2.067 53.924 52.037 -0.300 0.000 0.623 113 A CB -0.483 18.279 19.000 -0.397 0.000 0.818 113 A HN 0.576 nan 8.150 nan 0.000 0.443 114 K N -1.286 118.741 120.400 -0.622 0.000 2.057 114 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 114 K C 2.031 178.472 176.600 -0.265 0.000 1.049 114 K CA 1.932 57.922 56.287 -0.496 0.000 0.931 114 K CB -0.245 31.876 32.500 -0.632 0.000 0.714 114 K HN 0.364 nan 8.250 nan 0.000 0.440 115 M N 1.162 120.636 119.600 -0.209 0.000 2.117 115 M HA -0.076 4.404 4.480 -0.000 0.000 0.262 115 M C 1.658 177.886 176.300 -0.121 0.000 1.065 115 M CA 1.468 56.706 55.300 -0.102 0.000 1.114 115 M CB -0.128 32.470 32.600 -0.003 0.000 1.361 115 M HN 0.222 nan 8.290 nan 0.000 0.408 116 I N -0.977 119.464 120.570 -0.215 0.000 2.142 116 I HA -0.289 3.881 4.170 -0.000 0.000 0.240 116 I C 1.789 177.690 176.117 -0.359 0.000 1.078 116 I CA 1.355 62.456 61.300 -0.332 0.000 1.343 116 I CB -0.508 37.202 38.000 -0.484 0.000 1.046 116 I HN 0.153 nan 8.210 nan 0.000 0.405 117 F N 0.636 120.277 119.950 -0.516 0.000 2.365 117 F HA -0.140 4.387 4.527 -0.000 0.000 0.300 117 F C 2.695 178.254 175.800 -0.401 0.000 1.090 117 F CA 0.914 58.527 58.000 -0.645 0.000 1.408 117 F CB -0.642 37.511 39.000 -1.413 0.000 1.060 117 F HN -0.044 nan 8.300 nan 0.000 0.534 118 S N -0.648 114.993 115.700 -0.099 0.000 2.382 118 S HA -0.175 4.295 4.470 -0.000 0.000 0.228 118 S C 1.570 176.236 174.600 0.111 0.000 1.027 118 S CA 1.510 59.734 58.200 0.039 0.000 0.991 118 S CB -0.172 63.029 63.200 0.002 0.000 0.823 118 S HN 0.377 nan 8.310 nan 0.000 0.469 119 D N 0.152 120.584 120.400 0.053 0.000 2.389 119 D HA 0.133 4.773 4.640 -0.000 0.000 0.206 119 D C 0.092 176.465 176.300 0.122 0.000 1.055 119 D CA 0.253 54.334 54.000 0.134 0.000 0.856 119 D CB 0.223 41.064 40.800 0.069 0.000 0.957 119 D HN 0.157 nan 8.370 nan 0.000 0.509 120 N N 0.444 119.107 118.700 -0.062 0.000 2.621 120 N HA 0.153 4.893 4.740 -0.000 0.000 0.271 120 N C -2.436 172.835 175.510 -0.399 0.000 1.181 120 N CA -1.469 51.486 53.050 -0.159 0.000 0.805 120 N CB 2.110 40.454 38.487 -0.238 0.000 1.351 120 N HN -0.308 nan 8.380 nan 0.000 0.539 121 P HA 0.003 nan 4.420 nan 0.000 0.223 121 P C 0.256 177.384 177.300 -0.286 0.000 1.144 121 P CA 0.850 63.806 63.100 -0.239 0.000 0.783 121 P CB 0.354 31.954 31.700 -0.165 0.000 0.771 122 L N -1.546 119.476 121.223 -0.335 0.000 3.141 122 L HA 0.368 4.708 4.340 -0.000 0.000 0.263 122 L C 1.840 178.466 176.870 -0.406 0.000 1.312 122 L CA 0.058 54.743 54.840 -0.258 0.000 1.012 122 L CB -0.639 41.350 42.059 -0.115 0.000 1.408 122 L HN -0.108 nan 8.230 nan 0.000 0.559 123 G N -0.123 108.114 108.800 -0.939 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 1.441 176.125 174.900 -0.360 0.000 1.141 123 G CA 0.821 45.405 45.100 -0.860 0.000 0.763 123 G HN 0.366 nan 8.290 nan 0.000 0.554 124 L N 0.667 121.837 121.223 -0.088 0.000 2.044 124 L HA 0.107 4.447 4.340 -0.000 0.000 0.205 124 L C 2.887 179.773 176.870 0.027 0.000 1.075 124 L CA 2.371 57.268 54.840 0.096 0.000 0.747 124 L CB -1.074 41.179 42.059 0.322 0.000 0.903 124 L HN 0.155 nan 8.230 nan 0.000 0.435 125 T N -1.023 113.541 114.554 0.016 0.000 2.684 125 T HA -0.235 4.115 4.350 -0.000 0.000 0.267 125 T C 1.996 176.681 174.700 -0.024 0.000 1.036 125 T CA 1.881 63.982 62.100 0.001 0.000 1.148 125 T CB -0.670 68.194 68.868 -0.006 0.000 0.863 125 T HN 0.480 nan 8.240 nan 0.000 0.436 126 C N 1.215 120.477 119.300 -0.063 0.000 2.425 126 C HA 0.058 4.518 4.460 -0.000 0.000 0.277 126 C C 3.070 178.035 174.990 -0.042 0.000 1.280 126 C CA 0.340 59.322 59.018 -0.060 0.000 1.744 126 C CB -1.559 26.124 27.740 -0.095 0.000 1.989 126 C HN 0.739 nan 8.230 nan 0.000 0.491 127 G N 0.151 108.920 108.800 -0.053 0.000 2.442 127 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.219 127 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.219 127 G C 1.600 176.506 174.900 0.011 0.000 1.141 127 G CA 0.800 45.889 45.100 -0.019 0.000 0.763 127 G HN 0.516 nan 8.290 nan 0.000 0.554 128 M N 0.136 119.743 119.600 0.011 0.000 2.236 128 M HA 0.056 4.536 4.480 -0.000 0.000 0.266 128 M C 2.448 178.760 176.300 0.020 0.000 1.070 128 M CA 1.101 56.416 55.300 0.025 0.000 1.137 128 M CB 0.193 32.811 32.600 0.029 0.000 1.378 128 M HN 0.249 nan 8.290 nan 0.000 0.426 129 V N -4.154 115.764 119.914 0.007 0.000 3.605 129 V HA 0.199 4.319 4.120 -0.000 0.000 0.284 129 V C 0.814 176.905 176.094 -0.005 0.000 1.386 129 V CA -0.661 61.641 62.300 0.003 0.000 1.053 129 V CB -0.797 31.026 31.823 0.001 0.000 0.857 129 V HN 0.277 nan 8.190 nan 0.000 0.436 130 C N 4.340 123.636 119.300 -0.007 0.000 2.611 130 C HA 0.255 4.715 4.460 -0.000 0.000 0.416 130 C C -1.226 173.756 174.990 -0.013 0.000 1.366 130 C CA -0.021 58.990 59.018 -0.010 0.000 1.761 130 C CB 0.121 27.856 27.740 -0.009 0.000 2.619 130 C HN 0.541 nan 8.230 nan 0.000 0.606 131 P HA 0.088 nan 4.420 nan 0.000 0.225 131 P C 1.014 178.296 177.300 -0.030 0.000 1.813 131 P CA 0.282 63.362 63.100 -0.034 0.000 1.013 131 P CB -0.136 31.539 31.700 -0.042 0.000 1.961 132 T N -1.254 113.289 114.554 -0.018 0.000 2.760 132 T HA -0.244 4.106 4.350 -0.000 0.000 0.269 132 T C 1.821 176.507 174.700 -0.023 0.000 1.047 132 T CA 2.035 64.128 62.100 -0.011 0.000 1.139 132 T CB -1.179 67.694 68.868 0.008 0.000 0.855 132 T HN 0.319 nan 8.240 nan 0.000 0.471 133 S N 1.085 116.766 115.700 -0.032 0.000 2.442 133 S HA -0.105 4.365 4.470 -0.000 0.000 0.236 133 S C 1.579 176.140 174.600 -0.064 0.000 1.007 133 S CA 1.268 59.440 58.200 -0.047 0.000 0.965 133 S CB -0.488 62.683 63.200 -0.048 0.000 0.773 133 S HN 0.606 nan 8.310 nan 0.000 0.504 134 D N -0.273 120.094 120.400 -0.056 0.000 2.395 134 D HA 0.392 5.032 4.640 -0.000 0.000 0.213 134 D C 0.636 176.909 176.300 -0.045 0.000 1.110 134 D CA 0.002 53.968 54.000 -0.057 0.000 0.835 134 D CB 0.194 40.961 40.800 -0.056 0.000 0.965 134 D HN 0.430 nan 8.370 nan 0.000 0.505 135 L N -1.223 119.978 121.223 -0.037 0.000 2.910 135 L HA 0.221 4.561 4.340 -0.000 0.000 0.222 135 L C 2.321 179.177 176.870 -0.023 0.000 1.846 135 L CA -0.336 54.489 54.840 -0.025 0.000 2.581 135 L CB -0.674 41.375 42.059 -0.016 0.000 2.436 135 L HN 0.048 nan 8.230 nan 0.000 0.659 136 C N -0.157 119.136 119.300 -0.011 0.000 2.393 136 C HA -0.125 4.335 4.460 -0.000 0.000 0.276 136 C C 2.403 177.384 174.990 -0.015 0.000 1.215 136 C CA 0.572 59.584 59.018 -0.009 0.000 1.743 136 C CB -1.356 26.389 27.740 0.008 0.000 2.044 136 C HN 0.488 nan 8.230 nan 0.000 0.464 137 V N 2.226 122.135 119.914 -0.009 0.000 2.594 137 V HA -0.017 4.103 4.120 -0.000 0.000 0.253 137 V C 2.981 179.055 176.094 -0.034 0.000 1.069 137 V CA 2.197 64.494 62.300 -0.005 0.000 1.082 137 V CB -1.622 30.206 31.823 0.009 0.000 0.680 137 V HN 0.780 nan 8.190 nan 0.000 0.469 138 G N -0.044 108.719 108.800 -0.061 0.000 2.498 138 G HA2 -0.080 3.879 3.960 -0.000 0.000 0.219 138 G HA3 -0.080 3.879 3.960 -0.000 0.000 0.219 138 G C 1.300 176.126 174.900 -0.123 0.000 1.119 138 G CA 0.840 45.870 45.100 -0.116 0.000 0.766 138 G HN 0.628 nan 8.290 nan 0.000 0.552 139 G N -1.172 107.587 108.800 -0.068 0.000 3.324 139 G HA2 0.183 4.143 3.960 -0.000 0.000 0.251 139 G HA3 0.183 4.143 3.960 -0.000 0.000 0.251 139 G C 0.403 175.289 174.900 -0.022 0.000 1.072 139 G CA 0.004 45.074 45.100 -0.051 0.000 0.787 139 G HN 0.374 nan 8.290 nan 0.000 0.537 140 C N 1.658 120.953 119.300 -0.007 0.000 2.633 140 C HA 0.144 4.604 4.460 -0.000 0.000 0.415 140 C C 1.871 176.897 174.990 0.060 0.000 1.393 140 C CA -0.459 58.573 59.018 0.023 0.000 1.700 140 C CB -0.475 27.288 27.740 0.038 0.000 2.541 140 C HN 0.470 nan 8.230 nan 0.000 0.603 141 N N 3.281 122.004 118.700 0.039 0.000 2.272 141 N HA -0.103 4.637 4.740 -0.000 0.000 0.185 141 N C 1.444 176.993 175.510 0.065 0.000 1.014 141 N CA 1.280 54.359 53.050 0.049 0.000 0.870 141 N CB -0.149 38.352 38.487 0.022 0.000 0.975 141 N HN 0.772 nan 8.380 nan 0.000 0.433 142 L N 0.023 121.281 121.223 0.057 0.000 2.633 142 L HA -0.111 4.229 4.340 -0.000 0.000 0.235 142 L C 1.846 178.751 176.870 0.057 0.000 1.163 142 L CA 0.259 55.124 54.840 0.042 0.000 0.859 142 L CB -0.370 41.704 42.059 0.025 0.000 0.973 142 L HN 0.144 nan 8.230 nan 0.000 0.451 143 Y N 0.750 121.045 120.300 -0.009 0.000 2.421 143 Y HA -0.168 4.382 4.550 -0.000 0.000 0.292 143 Y C 2.200 178.097 175.900 -0.006 0.000 1.136 143 Y CA 0.894 58.990 58.100 -0.006 0.000 1.255 143 Y CB 0.022 38.478 38.460 -0.007 0.000 0.991 143 Y HN 0.136 nan 8.280 nan 0.000 0.552 144 A N -0.049 122.791 122.820 0.033 0.000 2.276 144 A HA 0.171 4.490 4.320 -0.000 0.000 0.212 144 A C 0.806 178.347 177.584 -0.071 0.000 1.230 144 A CA 0.684 52.710 52.037 -0.020 0.000 0.844 144 A CB -1.140 17.880 19.000 0.034 0.000 0.860 144 A HN 0.386 nan 8.150 nan 0.000 0.486 145 T N -4.877 109.617 114.554 -0.100 0.000 2.924 145 T HA 0.527 4.877 4.350 -0.000 0.000 0.291 145 T C 0.395 175.021 174.700 -0.123 0.000 1.045 145 T CA -0.433 61.616 62.100 -0.085 0.000 1.015 145 T CB 1.443 70.283 68.868 -0.046 0.000 1.103 145 T HN 0.100 nan 8.240 nan 0.000 0.496 146 E N 0.726 120.870 120.200 -0.093 0.000 2.085 146 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 146 E C 2.115 178.665 176.600 -0.082 0.000 0.994 146 E CA 1.607 57.951 56.400 -0.093 0.000 0.801 146 E CB -0.066 29.596 29.700 -0.062 0.000 0.743 146 E HN 0.851 nan 8.360 nan 0.000 0.453 147 E N 0.633 120.798 120.200 -0.057 0.000 2.338 147 E HA -0.048 4.302 4.350 -0.000 0.000 0.197 147 E C 1.089 177.665 176.600 -0.040 0.000 1.007 147 E CA 0.900 57.277 56.400 -0.038 0.000 0.849 147 E CB -0.356 29.332 29.700 -0.020 0.000 0.774 147 E HN 0.138 nan 8.360 nan 0.000 0.506 148 G N 0.647 109.406 108.800 -0.069 0.000 2.757 148 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.638 148 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.638 148 G C -0.332 174.576 174.900 0.014 0.000 1.344 148 G CA -0.195 44.871 45.100 -0.057 0.000 0.855 148 G HN 0.272 nan 8.290 nan 0.000 0.537 149 S N -0.214 115.537 115.700 0.085 0.000 2.576 149 S HA 0.417 4.887 4.470 -0.000 0.000 0.272 149 S C 1.198 175.830 174.600 0.054 0.000 1.352 149 S CA -0.368 57.890 58.200 0.097 0.000 1.021 149 S CB 0.463 63.754 63.200 0.151 0.000 0.887 149 S HN 0.604 nan 8.310 nan 0.000 0.542 150 I N 2.551 123.142 120.570 0.035 0.000 2.638 150 I HA 0.069 4.239 4.170 -0.000 0.000 0.286 150 I C 0.814 176.949 176.117 0.030 0.000 1.088 150 I CA -0.210 61.101 61.300 0.019 0.000 1.397 150 I CB 0.108 38.104 38.000 -0.007 0.000 1.414 150 I HN 0.561 nan 8.210 nan 0.000 0.566 151 N N 6.150 124.869 118.700 0.032 0.000 2.895 151 N HA 0.145 4.885 4.740 -0.000 0.000 0.277 151 N C 0.966 176.516 175.510 0.066 0.000 1.185 151 N CA 0.042 53.120 53.050 0.047 0.000 1.106 151 N CB -0.072 38.441 38.487 0.044 0.000 1.422 151 N HN 0.485 nan 8.380 nan 0.000 0.521 152 I N 0.318 120.929 120.570 0.068 0.000 2.179 152 I HA -0.165 4.005 4.170 -0.000 0.000 0.242 152 I C 2.268 178.495 176.117 0.184 0.000 1.088 152 I CA 1.218 62.588 61.300 0.117 0.000 1.357 152 I CB -0.364 37.688 38.000 0.086 0.000 1.051 152 I HN 0.499 nan 8.210 nan 0.000 0.409 153 G N 0.658 109.526 108.800 0.114 0.000 2.421 153 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 153 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 153 G C 1.731 176.690 174.900 0.099 0.000 1.171 153 G CA 0.861 46.016 45.100 0.092 0.000 0.775 153 G HN 0.499 nan 8.290 nan 0.000 0.543 154 G N 0.692 109.551 108.800 0.098 0.000 2.422 154 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.218 154 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.218 154 G C 1.807 176.795 174.900 0.147 0.000 1.146 154 G CA 0.682 45.842 45.100 0.100 0.000 0.769 154 G HN 0.424 nan 8.290 nan 0.000 0.547 155 L N -0.279 121.055 121.223 0.186 0.000 2.056 155 L HA -0.084 4.256 4.340 -0.000 0.000 0.207 155 L C 2.965 180.029 176.870 0.324 0.000 1.078 155 L CA 1.449 56.460 54.840 0.285 0.000 0.749 155 L CB -0.393 41.856 42.059 0.317 0.000 0.901 155 L HN 0.318 nan 8.230 nan 0.000 0.433 156 Q N -0.054 119.884 119.800 0.230 0.000 2.084 156 Q HA -0.289 4.051 4.340 -0.000 0.000 0.202 156 Q C 2.252 178.221 176.000 -0.051 0.000 0.978 156 Q CA 1.801 57.533 55.803 -0.118 0.000 0.844 156 Q CB -0.039 28.606 28.738 -0.154 0.000 0.898 156 Q HN 0.460 nan 8.270 nan 0.000 0.426 157 Q N -0.585 119.238 119.800 0.038 0.000 2.050 157 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 157 Q C 1.902 177.928 176.000 0.042 0.000 0.980 157 Q CA 1.629 57.456 55.803 0.041 0.000 0.840 157 Q CB -0.270 28.506 28.738 0.063 0.000 0.898 157 Q HN 0.472 nan 8.270 nan 0.000 0.424 158 F N 0.821 120.749 119.950 -0.036 0.000 2.069 158 F HA -0.182 4.345 4.527 -0.000 0.000 0.298 158 F C 2.102 177.840 175.800 -0.103 0.000 1.113 158 F CA 1.777 59.724 58.000 -0.088 0.000 1.214 158 F CB -0.736 38.198 39.000 -0.110 0.000 0.978 158 F HN 0.161 nan 8.300 nan 0.000 0.474 159 A N -0.524 122.223 122.820 -0.120 0.000 1.908 159 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 159 A C 2.343 179.864 177.584 -0.105 0.000 1.181 159 A CA 2.165 54.117 52.037 -0.141 0.000 0.627 159 A CB -1.304 17.741 19.000 0.074 0.000 0.818 159 A HN 0.465 nan 8.150 nan 0.000 0.445 160 S N -0.389 115.292 115.700 -0.032 0.000 2.402 160 S HA -0.107 4.362 4.470 -0.000 0.000 0.229 160 S C 1.858 176.452 174.600 -0.009 0.000 1.021 160 S CA 1.118 59.398 58.200 0.133 0.000 0.974 160 S CB -0.232 63.125 63.200 0.261 0.000 0.800 160 S HN 0.586 nan 8.310 nan 0.000 0.484 161 E N 0.891 120.994 120.200 -0.162 0.000 2.072 161 E HA -0.065 4.285 4.350 -0.000 0.000 0.191 161 E C 2.252 178.685 176.600 -0.279 0.000 0.985 161 E CA 0.799 57.048 56.400 -0.252 0.000 0.801 161 E CB -0.321 29.239 29.700 -0.233 0.000 0.750 161 E HN 0.327 nan 8.360 nan 0.000 0.452 162 V N 1.345 121.045 119.914 -0.357 0.000 2.358 162 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 162 V C 2.164 178.319 176.094 0.102 0.000 1.047 162 V CA 1.635 63.812 62.300 -0.204 0.000 1.035 162 V CB -0.609 30.998 31.823 -0.360 0.000 0.658 162 V HN 0.165 nan 8.190 nan 0.000 0.452 163 F N 1.619 121.544 119.950 -0.042 0.000 2.134 163 F HA -0.201 4.325 4.527 -0.000 0.000 0.299 163 F C 2.450 178.209 175.800 -0.068 0.000 1.097 163 F CA 2.267 60.288 58.000 0.036 0.000 1.264 163 F CB -0.434 38.566 39.000 0.000 0.000 1.001 163 F HN 0.067 nan 8.300 nan 0.000 0.479 164 K N 0.379 120.480 120.400 -0.499 0.000 2.063 164 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 164 K C 2.159 178.448 176.600 -0.518 0.000 1.048 164 K CA 1.381 57.086 56.287 -0.970 0.000 0.928 164 K CB -0.485 31.209 32.500 -1.343 0.000 0.713 164 K HN 0.300 nan 8.250 nan 0.000 0.442 165 A N 0.911 123.596 122.820 -0.226 0.000 2.015 165 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 165 A C 1.998 179.627 177.584 0.076 0.000 1.163 165 A CA 1.361 53.414 52.037 0.027 0.000 0.646 165 A CB -0.412 18.741 19.000 0.256 0.000 0.806 165 A HN 0.386 nan 8.150 nan 0.000 0.448 166 M N -1.781 117.821 119.600 0.003 0.000 2.476 166 M HA -0.029 4.451 4.480 -0.000 0.000 0.262 166 M C 0.584 176.761 176.300 -0.206 0.000 1.079 166 M CA 0.725 55.968 55.300 -0.095 0.000 1.104 166 M CB -0.378 32.236 32.600 0.023 0.000 1.409 166 M HN 0.490 nan 8.290 nan 0.000 0.467 167 N N 1.490 119.947 118.700 -0.406 0.000 2.696 167 N HA -0.156 4.584 4.740 -0.000 0.000 0.256 167 N C -1.398 173.911 175.510 -0.335 0.000 1.031 167 N CA 0.304 53.036 53.050 -0.530 0.000 0.730 167 N CB -0.749 37.096 38.487 -1.070 0.000 0.894 167 N HN 0.328 nan 8.380 nan 0.000 0.544 168 I N 0.969 121.365 120.570 -0.290 0.000 2.377 168 I HA 0.455 4.625 4.170 -0.000 0.000 0.293 168 I C -1.753 174.332 176.117 -0.054 0.000 0.987 168 I CA -1.940 59.311 61.300 -0.081 0.000 1.185 168 I CB 1.660 39.690 38.000 0.049 0.000 1.341 168 I HN 0.050 nan 8.210 nan 0.000 0.455 169 P HA 0.142 nan 4.420 nan 0.000 0.278 169 P C -1.342 175.970 177.300 0.020 0.000 1.258 169 P CA -0.610 62.492 63.100 0.004 0.000 0.811 169 P CB 1.115 32.806 31.700 -0.016 0.000 1.063 170 Q N 0.901 120.686 119.800 -0.025 0.000 2.259 170 Q HA 0.511 4.851 4.340 -0.000 0.000 0.246 170 Q C -0.301 175.604 176.000 -0.160 0.000 0.920 170 Q CA -0.653 55.033 55.803 -0.196 0.000 0.895 170 Q CB 0.521 29.137 28.738 -0.203 0.000 1.220 170 Q HN 0.479 nan 8.270 nan 0.000 0.439 171 I N -1.144 119.307 120.570 -0.198 0.000 3.002 171 I HA 0.589 4.759 4.170 -0.000 0.000 0.310 171 I C -0.593 175.446 176.117 -0.129 0.000 1.087 171 I CA -1.440 59.785 61.300 -0.126 0.000 1.017 171 I CB 1.886 39.827 38.000 -0.098 0.000 1.226 171 I HN 0.582 nan 8.210 nan 0.000 0.443 172 R N 2.457 122.887 120.500 -0.118 0.000 2.679 172 R HA 0.060 4.399 4.340 -0.000 0.000 0.268 172 R C 0.177 176.354 176.300 -0.204 0.000 1.044 172 R CA -0.232 55.791 56.100 -0.129 0.000 1.105 172 R CB 0.340 30.569 30.300 -0.117 0.000 0.989 172 R HN 0.788 nan 8.270 nan 0.000 0.447 173 N N 4.210 122.765 118.700 -0.243 0.000 2.365 173 N HA -0.042 4.698 4.740 -0.000 0.000 0.265 173 N C -1.919 173.329 175.510 -0.436 0.000 1.288 173 N CA -1.214 51.537 53.050 -0.498 0.000 0.869 173 N CB 1.098 39.377 38.487 -0.346 0.000 1.071 173 N HN 0.421 nan 8.380 nan 0.000 0.480 174 P HA -0.088 nan 4.420 nan 0.000 0.219 174 P C 0.859 178.020 177.300 -0.233 0.000 1.146 174 P CA 1.080 63.994 63.100 -0.310 0.000 0.808 174 P CB 0.041 31.572 31.700 -0.282 0.000 0.779 175 C N -3.817 115.328 119.300 -0.259 0.000 2.626 175 C HA 0.296 4.756 4.460 -0.000 0.000 0.266 175 C C 1.074 175.979 174.990 -0.142 0.000 1.317 175 C CA -0.992 57.932 59.018 -0.158 0.000 1.716 175 C CB -1.896 25.775 27.740 -0.114 0.000 1.819 175 C HN 0.031 nan 8.230 nan 0.000 0.578 176 L N 1.856 122.973 121.223 -0.176 0.000 2.417 176 L HA 0.365 4.705 4.340 -0.000 0.000 0.268 176 L C -1.869 174.906 176.870 -0.158 0.000 1.158 176 L CA -1.337 53.398 54.840 -0.176 0.000 0.819 176 L CB 0.411 42.346 42.059 -0.206 0.000 1.112 176 L HN -0.030 nan 8.230 nan 0.000 0.458 177 P HA 0.009 nan 4.420 nan 0.000 0.271 177 P C -0.496 176.723 177.300 -0.135 0.000 1.233 177 P CA -0.328 62.693 63.100 -0.133 0.000 0.789 177 P CB 0.563 32.181 31.700 -0.136 0.000 0.951 178 S N 0.416 116.054 115.700 -0.103 0.000 2.558 178 S HA -0.083 4.387 4.470 -0.000 0.000 0.287 178 S C 1.314 175.852 174.600 -0.103 0.000 1.321 178 S CA 0.071 58.216 58.200 -0.092 0.000 1.048 178 S CB 0.037 63.197 63.200 -0.068 0.000 0.844 178 S HN 0.367 nan 8.310 nan 0.000 0.512 179 Q N 2.134 121.878 119.800 -0.094 0.000 2.197 179 Q HA -0.203 4.137 4.340 -0.000 0.000 0.207 179 Q C 1.743 177.699 176.000 -0.074 0.000 0.984 179 Q CA 2.164 57.912 55.803 -0.092 0.000 0.869 179 Q CB -0.156 28.541 28.738 -0.069 0.000 0.906 179 Q HN 0.810 nan 8.270 nan 0.000 0.426 180 E N 0.311 120.476 120.200 -0.059 0.000 2.358 180 E HA -0.061 4.289 4.350 -0.000 0.000 0.195 180 E C 1.153 177.726 176.600 -0.045 0.000 1.010 180 E CA 0.547 56.921 56.400 -0.043 0.000 0.856 180 E CB 0.216 29.896 29.700 -0.034 0.000 0.795 180 E HN 0.179 nan 8.360 nan 0.000 0.504 181 K N -0.025 120.338 120.400 -0.061 0.000 2.404 181 K HA 0.137 4.457 4.320 -0.000 0.000 0.194 181 K C 0.092 176.647 176.600 -0.075 0.000 1.023 181 K CA -0.040 56.212 56.287 -0.058 0.000 1.094 181 K CB 0.359 32.822 32.500 -0.060 0.000 0.841 181 K HN 0.072 nan 8.250 nan 0.000 0.523 182 M N 1.882 121.421 119.600 -0.101 0.000 2.228 182 M HA 0.155 4.635 4.480 -0.000 0.000 0.351 182 M C -2.175 174.106 176.300 -0.031 0.000 1.233 182 M CA -2.242 52.973 55.300 -0.141 0.000 1.129 182 M CB -0.432 32.039 32.600 -0.214 0.000 1.604 182 M HN -0.187 nan 8.290 nan 0.000 0.457 183 P HA 0.002 nan 4.420 nan 0.000 0.268 183 P C 0.705 178.041 177.300 0.060 0.000 1.208 183 P CA -0.024 63.129 63.100 0.088 0.000 0.777 183 P CB 0.481 32.275 31.700 0.156 0.000 0.875 184 E N 2.144 122.345 120.200 0.001 0.000 2.130 184 E HA -0.289 4.061 4.350 -0.000 0.000 0.196 184 E C 1.687 178.110 176.600 -0.294 0.000 0.998 184 E CA 1.449 57.823 56.400 -0.043 0.000 0.806 184 E CB -0.370 29.368 29.700 0.063 0.000 0.738 184 E HN 0.491 nan 8.360 nan 0.000 0.459 185 A N 0.210 122.684 122.820 -0.577 0.000 1.986 185 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 185 A C 1.665 178.798 177.584 -0.753 0.000 1.171 185 A CA 1.557 52.838 52.037 -1.261 0.000 0.640 185 A CB -0.939 17.515 19.000 -0.909 0.000 0.811 185 A HN 0.499 nan 8.150 nan 0.000 0.451 186 Y N 0.633 120.702 120.300 -0.385 0.000 2.616 186 Y HA -0.042 4.508 4.550 -0.000 0.000 0.296 186 Y C 2.519 178.349 175.900 -0.115 0.000 1.154 186 Y CA 0.971 58.837 58.100 -0.390 0.000 1.325 186 Y CB -0.043 38.122 38.460 -0.491 0.000 1.007 186 Y HN 0.453 nan 8.280 nan 0.000 0.542 187 S N -0.828 114.868 115.700 -0.006 0.000 2.556 187 S HA 0.380 4.850 4.470 -0.000 0.000 0.216 187 S C 0.987 175.627 174.600 0.067 0.000 0.970 187 S CA -0.231 57.995 58.200 0.044 0.000 0.912 187 S CB -0.347 62.866 63.200 0.022 0.000 0.790 187 S HN 0.198 nan 8.310 nan 0.000 0.504 188 A N 2.265 125.118 122.820 0.055 0.000 2.546 188 A HA 0.227 4.546 4.320 -0.000 0.000 0.243 188 A C 0.287 177.958 177.584 0.145 0.000 1.063 188 A CA -0.078 52.036 52.037 0.128 0.000 0.757 188 A CB -0.100 18.987 19.000 0.145 0.000 0.991 188 A HN 0.557 nan 8.150 nan 0.000 0.503 189 K N 2.132 122.589 120.400 0.094 0.000 2.402 189 K HA 0.300 4.620 4.320 -0.000 0.000 0.285 189 K C -0.733 176.025 176.600 0.264 0.000 1.054 189 K CA 0.674 56.993 56.287 0.054 0.000 1.001 189 K CB 0.309 32.631 32.500 -0.297 0.000 0.946 189 K HN 0.593 nan 8.250 nan 0.000 0.473 190 I N 2.298 123.066 120.570 0.330 0.000 2.474 190 I HA 0.382 4.552 4.170 -0.000 0.000 0.294 190 I C -0.337 176.050 176.117 0.450 0.000 1.005 190 I CA -0.782 60.734 61.300 0.360 0.000 1.113 190 I CB 1.979 40.070 38.000 0.151 0.000 1.289 190 I HN 0.585 nan 8.210 nan 0.000 0.436 191 A N 7.003 130.069 122.820 0.410 0.000 2.365 191 A HA 0.923 5.242 4.320 -0.000 0.000 0.318 191 A C -1.221 176.516 177.584 0.256 0.000 1.091 191 A CA -0.430 51.787 52.037 0.300 0.000 0.763 191 A CB 1.200 20.212 19.000 0.020 0.000 1.248 191 A HN 0.562 nan 8.150 nan 0.000 0.442 192 L N 2.224 123.599 121.223 0.254 0.000 2.386 192 L HA 0.525 4.865 4.340 -0.000 0.000 0.271 192 L C -0.868 176.156 176.870 0.258 0.000 0.993 192 L CA -0.356 54.647 54.840 0.271 0.000 0.819 192 L CB 1.929 44.135 42.059 0.245 0.000 1.294 192 L HN 0.468 nan 8.230 nan 0.000 0.414 193 L N 2.812 124.155 121.223 0.200 0.000 2.287 193 L HA 0.796 5.136 4.340 -0.000 0.000 0.287 193 L C 0.450 177.392 176.870 0.120 0.000 1.022 193 L CA -0.227 54.701 54.840 0.147 0.000 0.814 193 L CB 0.566 42.657 42.059 0.052 0.000 1.217 193 L HN 0.771 nan 8.230 nan 0.000 0.420 194 G N 2.980 111.850 108.800 0.117 0.000 3.338 194 G HA2 0.088 4.048 3.960 -0.000 0.000 0.686 194 G HA3 0.088 4.048 3.960 -0.000 0.000 0.686 194 G C -0.100 174.864 174.900 0.106 0.000 1.053 194 G CA -0.341 44.814 45.100 0.092 0.000 0.852 194 G HN 0.980 nan 8.290 nan 0.000 0.545 195 A N 1.922 124.790 122.820 0.079 0.000 3.258 195 A HA 0.767 5.087 4.320 -0.000 0.000 0.275 195 A C 1.265 178.905 177.584 0.092 0.000 1.452 195 A CA 1.082 53.165 52.037 0.077 0.000 1.120 195 A CB -0.264 18.768 19.000 0.053 0.000 1.107 195 A HN 2.094 nan 8.150 nan 0.000 0.651 196 G N -0.357 108.506 108.800 0.106 0.000 2.705 196 G HA2 0.515 4.475 3.960 -0.000 0.000 0.299 196 G HA3 0.515 4.475 3.960 -0.000 0.000 0.299 196 G C -1.663 173.293 174.900 0.094 0.000 1.315 196 G CA -1.505 43.656 45.100 0.103 0.000 1.045 196 G HN 0.086 nan 8.290 nan 0.000 0.517 197 P HA -0.195 nan 4.420 nan 0.000 0.216 197 P C 2.139 179.488 177.300 0.081 0.000 1.157 197 P CA 2.593 65.730 63.100 0.062 0.000 0.880 197 P CB 0.140 31.870 31.700 0.051 0.000 0.791 198 A N -0.961 121.940 122.820 0.134 0.000 1.865 198 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 198 A C 2.399 180.064 177.584 0.136 0.000 1.191 198 A CA 2.465 54.623 52.037 0.203 0.000 0.623 198 A CB -1.551 17.666 19.000 0.363 0.000 0.826 198 A HN 0.139 nan 8.150 nan 0.000 0.444 199 S N -0.340 115.500 115.700 0.234 0.000 2.383 199 S HA -0.056 4.414 4.470 -0.000 0.000 0.227 199 S C 1.798 176.395 174.600 -0.004 0.000 1.026 199 S CA 1.306 59.578 58.200 0.121 0.000 0.981 199 S CB -0.486 62.857 63.200 0.238 0.000 0.818 199 S HN 0.511 nan 8.310 nan 0.000 0.472 200 I N 1.001 121.588 120.570 0.029 0.000 2.226 200 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 200 I C 2.658 178.766 176.117 -0.016 0.000 1.100 200 I CA 1.116 62.418 61.300 0.003 0.000 1.374 200 I CB -0.366 37.640 38.000 0.010 0.000 1.057 200 I HN 0.297 nan 8.210 nan 0.000 0.413 201 S N -0.185 115.517 115.700 0.003 0.000 2.355 201 S HA -0.238 4.232 4.470 -0.000 0.000 0.222 201 S C 2.320 176.986 174.600 0.109 0.000 1.031 201 S CA 1.600 59.843 58.200 0.072 0.000 0.993 201 S CB -0.555 62.717 63.200 0.120 0.000 0.859 201 S HN 0.618 nan 8.310 nan 0.000 0.453 202 C N 1.659 120.894 119.300 -0.108 0.000 2.413 202 C HA 0.041 4.501 4.460 -0.000 0.000 0.277 202 C C 3.019 177.948 174.990 -0.103 0.000 1.228 202 C CA 1.300 60.170 59.018 -0.246 0.000 1.731 202 C CB -1.767 25.440 27.740 -0.888 0.000 2.042 202 C HN 0.684 nan 8.230 nan 0.000 0.468 203 A N -0.190 122.568 122.820 -0.103 0.000 1.933 203 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 203 A C 2.355 179.933 177.584 -0.010 0.000 1.175 203 A CA 2.392 54.405 52.037 -0.039 0.000 0.628 203 A CB -0.968 18.017 19.000 -0.026 0.000 0.814 203 A HN 0.662 nan 8.150 nan 0.000 0.444 204 S N -0.790 114.888 115.700 -0.037 0.000 2.348 204 S HA -0.123 4.346 4.470 -0.000 0.000 0.221 204 S C 1.617 176.143 174.600 -0.123 0.000 1.033 204 S CA 1.604 59.740 58.200 -0.107 0.000 1.010 204 S CB -0.565 62.507 63.200 -0.212 0.000 0.891 204 S HN 0.574 nan 8.310 nan 0.000 0.442 205 F N 1.446 121.403 119.950 0.012 0.000 2.186 205 F HA 0.013 4.539 4.527 -0.000 0.000 0.299 205 F C 2.019 177.852 175.800 0.055 0.000 1.090 205 F CA 0.694 58.716 58.000 0.037 0.000 1.307 205 F CB -0.413 38.599 39.000 0.020 0.000 1.019 205 F HN 0.116 nan 8.300 nan 0.000 0.489 206 L N -0.615 120.722 121.223 0.190 0.000 2.093 206 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 206 L C 2.712 179.747 176.870 0.274 0.000 1.085 206 L CA 1.073 56.024 54.840 0.185 0.000 0.755 206 L CB -0.915 41.153 42.059 0.016 0.000 0.904 206 L HN 0.135 nan 8.230 nan 0.000 0.435 207 A N 0.070 122.981 122.820 0.151 0.000 1.930 207 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 207 A C 2.362 179.991 177.584 0.075 0.000 1.175 207 A CA 1.280 53.384 52.037 0.112 0.000 0.627 207 A CB -0.425 18.601 19.000 0.043 0.000 0.815 207 A HN 0.319 nan 8.150 nan 0.000 0.443 208 R N -0.594 119.947 120.500 0.068 0.000 2.096 208 R HA -0.024 4.316 4.340 -0.000 0.000 0.235 208 R C 1.767 178.101 176.300 0.056 0.000 1.127 208 R CA 1.321 57.455 56.100 0.055 0.000 0.968 208 R CB -0.488 29.863 30.300 0.084 0.000 0.861 208 R HN 0.489 nan 8.270 nan 0.000 0.440 209 L N -0.688 120.599 121.223 0.108 0.000 2.465 209 L HA 0.002 4.342 4.340 -0.000 0.000 0.224 209 L C 1.365 178.183 176.870 -0.085 0.000 1.145 209 L CA 0.944 55.811 54.840 0.046 0.000 0.834 209 L CB 0.037 42.141 42.059 0.076 0.000 0.944 209 L HN 0.564 nan 8.230 nan 0.000 0.451 210 G N -2.271 106.488 108.800 -0.069 0.000 2.192 210 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.193 210 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.193 210 G C -0.034 174.793 174.900 -0.122 0.000 0.999 210 G CA -0.691 44.267 45.100 -0.236 0.000 0.659 210 G HN 0.152 nan 8.290 nan 0.000 0.503 211 Y N 2.091 122.505 120.300 0.189 0.000 2.544 211 Y HA 0.324 4.874 4.550 -0.000 0.000 0.330 211 Y C 1.853 177.801 175.900 0.080 0.000 1.136 211 Y CA 0.923 59.125 58.100 0.171 0.000 1.417 211 Y CB 1.209 39.743 38.460 0.125 0.000 1.229 211 Y HN 0.263 nan 8.280 nan 0.000 0.532 212 S N -0.498 115.304 115.700 0.169 0.000 2.540 212 S HA 0.076 4.546 4.470 -0.000 0.000 0.218 212 S C 0.029 174.686 174.600 0.096 0.000 0.977 212 S CA -0.167 58.089 58.200 0.094 0.000 0.918 212 S CB 0.250 63.475 63.200 0.042 0.000 0.806 212 S HN 0.655 nan 8.310 nan 0.000 0.496 213 D N 1.369 121.850 120.400 0.136 0.000 2.443 213 D HA 0.428 5.067 4.640 -0.000 0.000 0.281 213 D C -1.221 175.162 176.300 0.139 0.000 1.210 213 D CA -0.294 53.773 54.000 0.111 0.000 0.875 213 D CB 0.273 41.128 40.800 0.091 0.000 1.125 213 D HN 0.345 nan 8.370 nan 0.000 0.503 214 I N 1.407 122.044 120.570 0.112 0.000 2.406 214 I HA 0.333 4.503 4.170 -0.000 0.000 0.290 214 I C -0.099 176.046 176.117 0.047 0.000 0.999 214 I CA -0.419 60.942 61.300 0.101 0.000 1.124 214 I CB 2.245 40.292 38.000 0.077 0.000 1.289 214 I HN -0.051 nan 8.210 nan 0.000 0.441 215 T N 6.766 121.342 114.554 0.037 0.000 2.841 215 T HA 0.576 4.926 4.350 -0.000 0.000 0.285 215 T C -0.256 174.268 174.700 -0.293 0.000 0.991 215 T CA -0.378 61.616 62.100 -0.176 0.000 0.966 215 T CB 1.464 70.161 68.868 -0.285 0.000 0.962 215 T HN 0.258 nan 8.240 nan 0.000 0.438 216 I N 3.385 123.769 120.570 -0.312 0.000 2.321 216 I HA 0.402 4.572 4.170 -0.000 0.000 0.291 216 I C -0.825 175.091 176.117 -0.335 0.000 0.998 216 I CA -0.705 60.482 61.300 -0.187 0.000 1.227 216 I CB 0.868 38.834 38.000 -0.057 0.000 1.368 216 I HN 0.542 nan 8.210 nan 0.000 0.466 217 F N 4.619 124.584 119.950 0.026 0.000 2.385 217 F HA 0.336 4.863 4.527 -0.000 0.000 0.360 217 F C 0.421 176.221 175.800 0.000 0.000 1.122 217 F CA -0.636 57.368 58.000 0.007 0.000 1.090 217 F CB 1.056 40.047 39.000 -0.015 0.000 1.150 217 F HN 0.396 nan 8.300 nan 0.000 0.472 218 E N 3.447 123.718 120.200 0.118 0.000 2.166 218 E HA 0.230 4.580 4.350 -0.000 0.000 0.275 218 E C 0.699 177.306 176.600 0.012 0.000 0.941 218 E CA -0.576 55.850 56.400 0.043 0.000 0.784 218 E CB 1.544 31.239 29.700 -0.007 0.000 1.115 218 E HN 0.537 nan 8.360 nan 0.000 0.399 219 K N 3.017 123.407 120.400 -0.017 0.000 2.026 219 K HA -0.090 4.230 4.320 -0.000 0.000 0.208 219 K C 0.419 176.955 176.600 -0.106 0.000 1.048 219 K CA 1.033 57.296 56.287 -0.040 0.000 0.929 219 K CB 0.130 32.610 32.500 -0.034 0.000 0.713 219 K HN 0.546 nan 8.250 nan 0.000 0.439 220 Q N 0.568 120.229 119.800 -0.231 0.000 2.414 220 Q HA 0.006 4.346 4.340 -0.000 0.000 0.206 220 Q C 0.994 176.800 176.000 -0.323 0.000 1.058 220 Q CA 0.282 55.843 55.803 -0.404 0.000 1.025 220 Q CB 0.624 28.750 28.738 -1.019 0.000 1.196 220 Q HN 0.267 nan 8.270 nan 0.000 0.586 221 E N 0.296 120.318 120.200 -0.297 0.000 2.442 221 E HA -0.007 4.342 4.350 -0.000 0.000 0.195 221 E C 0.098 176.671 176.600 -0.045 0.000 1.030 221 E CA 0.311 56.647 56.400 -0.107 0.000 0.869 221 E CB 0.152 29.843 29.700 -0.015 0.000 0.857 221 E HN 0.459 nan 8.360 nan 0.000 0.505 222 Y N -0.515 119.792 120.300 0.011 0.000 2.567 222 Y HA 0.558 5.107 4.550 -0.000 0.000 0.333 222 Y C 0.066 175.998 175.900 0.053 0.000 1.106 222 Y CA -1.912 56.202 58.100 0.023 0.000 1.157 222 Y CB 0.625 39.074 38.460 -0.018 0.000 1.277 222 Y HN -0.256 nan 8.280 nan 0.000 0.490 223 V N -1.854 118.258 119.914 0.331 0.000 3.046 223 V HA 0.966 5.086 4.120 -0.000 0.000 0.316 223 V C 0.440 176.710 176.094 0.293 0.000 1.104 223 V CA -0.421 62.019 62.300 0.233 0.000 1.006 223 V CB 0.964 32.867 31.823 0.134 0.000 1.058 223 V HN 1.751 nan 8.190 nan 0.000 0.440 224 G N -0.356 108.563 108.800 0.199 0.000 2.231 224 G HA2 0.298 4.258 3.960 -0.000 0.000 0.206 224 G HA3 0.298 4.258 3.960 -0.000 0.000 0.206 224 G C 1.498 176.492 174.900 0.158 0.000 0.996 224 G CA 0.504 45.702 45.100 0.164 0.000 0.645 224 G HN 2.845 nan 8.290 nan 0.000 0.498 225 G N 0.062 108.984 108.800 0.203 0.000 2.564 225 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.273 225 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.273 225 G C 1.121 176.113 174.900 0.154 0.000 1.242 225 G CA 0.522 45.727 45.100 0.176 0.000 0.951 225 G HN 1.187 nan 8.290 nan 0.000 0.564 226 L N 0.726 122.010 121.223 0.101 0.000 2.187 226 L HA -0.089 4.251 4.340 -0.000 0.000 0.213 226 L C 3.165 180.054 176.870 0.033 0.000 1.100 226 L CA 1.858 56.735 54.840 0.061 0.000 0.765 226 L CB -0.561 41.528 42.059 0.049 0.000 0.904 226 L HN 0.546 nan 8.230 nan 0.000 0.437 227 S N -0.990 114.738 115.700 0.047 0.000 2.400 227 S HA -0.165 4.305 4.470 -0.000 0.000 0.232 227 S C 1.938 176.561 174.600 0.038 0.000 1.025 227 S CA 1.817 60.038 58.200 0.034 0.000 0.993 227 S CB -0.173 63.053 63.200 0.043 0.000 0.808 227 S HN 0.481 nan 8.310 nan 0.000 0.478 228 T N 1.305 115.891 114.554 0.054 0.000 2.988 228 T HA 0.021 4.371 4.350 -0.000 0.000 0.240 228 T C 2.313 176.900 174.700 -0.188 0.000 1.014 228 T CA 1.061 63.173 62.100 0.020 0.000 1.155 228 T CB -0.272 68.662 68.868 0.110 0.000 0.872 228 T HN 0.581 nan 8.240 nan 0.000 0.440 229 S N 1.205 116.784 115.700 -0.201 0.000 2.453 229 S HA 0.069 4.539 4.470 -0.000 0.000 0.231 229 S C 1.568 176.069 174.600 -0.165 0.000 1.005 229 S CA 0.819 58.853 58.200 -0.277 0.000 0.949 229 S CB -0.106 63.037 63.200 -0.095 0.000 0.774 229 S HN 0.545 nan 8.310 nan 0.000 0.510 230 E N -0.134 120.005 120.200 -0.101 0.000 2.502 230 E HA 0.354 4.704 4.350 -0.000 0.000 0.206 230 E C -0.179 176.360 176.600 -0.101 0.000 0.821 230 E CA -0.253 56.093 56.400 -0.091 0.000 1.354 230 E CB 0.360 30.040 29.700 -0.032 0.000 1.336 230 E HN 0.404 nan 8.360 nan 0.000 0.675 231 I N 4.810 125.332 120.570 -0.081 0.000 2.668 231 I HA 0.021 4.191 4.170 -0.000 0.000 0.285 231 I C -2.262 173.742 176.117 -0.189 0.000 1.168 231 I CA -1.610 59.631 61.300 -0.099 0.000 1.424 231 I CB -0.004 37.962 38.000 -0.056 0.000 1.377 231 I HN -0.202 nan 8.210 nan 0.000 0.560 232 P HA -0.071 nan 4.420 nan 0.000 0.266 232 P C 0.232 177.243 177.300 -0.481 0.000 1.195 232 P CA -0.039 62.694 63.100 -0.612 0.000 0.768 232 P CB 0.560 31.394 31.700 -1.443 0.000 0.838 233 Q N 3.079 122.688 119.800 -0.317 0.000 2.234 233 Q HA -0.167 4.173 4.340 -0.000 0.000 0.206 233 Q C 1.189 177.211 176.000 0.036 0.000 0.980 233 Q CA 1.883 57.633 55.803 -0.089 0.000 0.869 233 Q CB -0.886 27.813 28.738 -0.064 0.000 0.912 233 Q HN 0.580 nan 8.270 nan 0.000 0.436 234 F N -2.050 118.029 119.950 0.216 0.000 2.802 234 F HA 0.308 4.835 4.527 -0.000 0.000 0.300 234 F C 1.469 177.326 175.800 0.096 0.000 1.168 234 F CA 0.111 58.200 58.000 0.149 0.000 1.433 234 F CB -0.058 39.006 39.000 0.106 0.000 1.115 234 F HN -0.035 nan 8.300 nan 0.000 0.582 235 R N -0.239 120.294 120.500 0.054 0.000 2.243 235 R HA 0.348 4.688 4.340 -0.000 0.000 0.193 235 R C -0.574 175.747 176.300 0.035 0.000 0.933 235 R CA -0.073 56.075 56.100 0.080 0.000 1.105 235 R CB 0.321 30.637 30.300 0.027 0.000 1.169 235 R HN 0.216 nan 8.270 nan 0.000 0.599 236 L N 2.660 123.875 121.223 -0.014 0.000 2.427 236 L HA 0.481 4.821 4.340 -0.000 0.000 0.264 236 L C -2.882 173.997 176.870 0.014 0.000 0.989 236 L CA -2.250 52.593 54.840 0.004 0.000 0.865 236 L CB 1.698 43.752 42.059 -0.007 0.000 1.209 236 L HN -0.183 nan 8.230 nan 0.000 0.430 237 P HA 0.030 nan 4.420 nan 0.000 0.268 237 P C -0.061 177.275 177.300 0.060 0.000 1.204 237 P CA 0.117 63.248 63.100 0.052 0.000 0.768 237 P CB 0.322 32.049 31.700 0.046 0.000 0.842 238 Y N 4.452 124.732 120.300 -0.034 0.000 2.256 238 Y HA -0.273 4.277 4.550 -0.000 0.000 0.288 238 Y C 1.871 177.775 175.900 0.008 0.000 1.155 238 Y CA 2.138 60.220 58.100 -0.030 0.000 1.203 238 Y CB -0.522 37.902 38.460 -0.059 0.000 0.980 238 Y HN 0.418 nan 8.280 nan 0.000 0.530 239 D N -1.042 119.301 120.400 -0.095 0.000 2.263 239 D HA -0.156 4.483 4.640 -0.000 0.000 0.208 239 D C 2.023 178.258 176.300 -0.109 0.000 0.971 239 D CA 1.368 55.286 54.000 -0.137 0.000 0.867 239 D CB -0.773 40.007 40.800 -0.034 0.000 0.929 239 D HN 0.363 nan 8.370 nan 0.000 0.492 240 V N 0.772 120.649 119.914 -0.063 0.000 2.307 240 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 240 V C 2.933 179.055 176.094 0.046 0.000 1.045 240 V CA 1.182 63.511 62.300 0.049 0.000 1.024 240 V CB -0.251 31.601 31.823 0.048 0.000 0.651 240 V HN 0.115 nan 8.190 nan 0.000 0.449 241 V N 0.776 120.618 119.914 -0.119 0.000 2.295 241 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 241 V C 2.376 178.349 176.094 -0.202 0.000 1.049 241 V CA 2.425 64.634 62.300 -0.152 0.000 1.024 241 V CB -0.965 30.744 31.823 -0.190 0.000 0.648 241 V HN 0.686 nan 8.190 nan 0.000 0.447 242 N N -0.066 118.399 118.700 -0.391 0.000 2.104 242 N HA -0.240 4.500 4.740 -0.000 0.000 0.190 242 N C 2.036 177.505 175.510 -0.068 0.000 1.024 242 N CA 1.973 54.866 53.050 -0.262 0.000 0.853 242 N CB -0.195 38.099 38.487 -0.323 0.000 1.008 242 N HN 0.478 nan 8.380 nan 0.000 0.424 243 F N 2.115 121.973 119.950 -0.154 0.000 2.095 243 F HA -0.121 4.406 4.527 -0.000 0.000 0.298 243 F C 2.113 177.889 175.800 -0.040 0.000 1.104 243 F CA 1.621 59.560 58.000 -0.100 0.000 1.232 243 F CB -0.537 38.407 39.000 -0.094 0.000 0.987 243 F HN 0.091 nan 8.300 nan 0.000 0.475 244 E N 0.141 120.151 120.200 -0.316 0.000 2.150 244 E HA -0.164 4.185 4.350 -0.000 0.000 0.193 244 E C 2.354 178.837 176.600 -0.196 0.000 0.985 244 E CA 1.062 57.259 56.400 -0.337 0.000 0.814 244 E CB -0.113 29.535 29.700 -0.087 0.000 0.752 244 E HN 0.383 nan 8.360 nan 0.000 0.466 245 I N 1.556 122.050 120.570 -0.127 0.000 2.252 245 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 245 I C 2.190 178.258 176.117 -0.082 0.000 1.102 245 I CA 1.259 62.513 61.300 -0.076 0.000 1.385 245 I CB -0.828 37.146 38.000 -0.043 0.000 1.064 245 I HN 0.093 nan 8.210 nan 0.000 0.414 246 E N 0.753 120.893 120.200 -0.100 0.000 2.153 246 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 246 E C 2.427 178.968 176.600 -0.099 0.000 0.988 246 E CA 0.761 57.112 56.400 -0.081 0.000 0.811 246 E CB -0.272 29.393 29.700 -0.059 0.000 0.746 246 E HN 0.474 nan 8.360 nan 0.000 0.466 247 L N 0.331 121.451 121.223 -0.173 0.000 2.046 247 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 247 L C 2.697 179.540 176.870 -0.045 0.000 1.077 247 L CA 1.088 55.858 54.840 -0.117 0.000 0.747 247 L CB -0.368 41.582 42.059 -0.181 0.000 0.896 247 L HN 0.184 nan 8.230 nan 0.000 0.432 248 M N -0.025 119.542 119.600 -0.055 0.000 2.117 248 M HA -0.233 4.247 4.480 -0.000 0.000 0.262 248 M C 2.172 178.452 176.300 -0.034 0.000 1.065 248 M CA 1.789 57.067 55.300 -0.036 0.000 1.114 248 M CB -0.052 32.523 32.600 -0.041 0.000 1.361 248 M HN 0.054 nan 8.290 nan 0.000 0.408 249 K N 0.162 120.540 120.400 -0.038 0.000 2.280 249 K HA -0.154 4.166 4.320 -0.000 0.000 0.202 249 K C 1.292 177.875 176.600 -0.029 0.000 1.047 249 K CA 1.255 57.524 56.287 -0.030 0.000 0.942 249 K CB -0.228 32.255 32.500 -0.028 0.000 0.739 249 K HN 0.432 nan 8.250 nan 0.000 0.457 250 D N 0.919 121.297 120.400 -0.035 0.000 2.263 250 D HA -0.123 4.517 4.640 -0.000 0.000 0.208 250 D C 1.376 177.653 176.300 -0.038 0.000 0.971 250 D CA 0.962 54.940 54.000 -0.037 0.000 0.867 250 D CB 0.096 40.870 40.800 -0.043 0.000 0.929 250 D HN 0.213 nan 8.370 nan 0.000 0.492 251 L N -0.823 120.379 121.223 -0.035 0.000 2.611 251 L HA 0.201 4.541 4.340 -0.000 0.000 0.229 251 L C 1.516 178.376 176.870 -0.016 0.000 1.137 251 L CA 0.284 55.105 54.840 -0.031 0.000 0.901 251 L CB 0.091 42.133 42.059 -0.029 0.000 1.098 251 L HN 0.089 nan 8.230 nan 0.000 0.456 252 G N -0.241 108.550 108.800 -0.015 0.000 2.175 252 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.244 252 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.244 252 G C 0.329 175.229 174.900 0.001 0.000 0.982 252 G CA -0.028 45.069 45.100 -0.005 0.000 0.641 252 G HN 0.082 nan 8.290 nan 0.000 0.527 253 V N 1.450 121.363 119.914 -0.003 0.000 2.599 253 V HA 0.293 4.413 4.120 -0.000 0.000 0.300 253 V C 0.871 176.952 176.094 -0.021 0.000 1.034 253 V CA 0.606 62.903 62.300 -0.006 0.000 1.115 253 V CB 1.077 32.893 31.823 -0.011 0.000 0.934 253 V HN 0.379 nan 8.190 nan 0.000 0.485 254 K N 5.319 125.698 120.400 -0.035 0.000 2.123 254 K HA 0.713 5.033 4.320 -0.000 0.000 0.259 254 K C -0.867 175.670 176.600 -0.106 0.000 0.960 254 K CA -0.496 55.756 56.287 -0.059 0.000 0.872 254 K CB 1.842 34.308 32.500 -0.057 0.000 1.079 254 K HN 0.503 nan 8.250 nan 0.000 0.440 255 I N 3.712 124.226 120.570 -0.094 0.000 2.466 255 I HA 0.376 4.546 4.170 -0.000 0.000 0.289 255 I C -0.709 175.346 176.117 -0.103 0.000 1.026 255 I CA -0.720 60.514 61.300 -0.109 0.000 1.078 255 I CB 1.565 39.536 38.000 -0.048 0.000 1.249 255 I HN 0.404 nan 8.210 nan 0.000 0.429 256 I N 5.313 125.794 120.570 -0.148 0.000 2.411 256 I HA 0.353 4.523 4.170 -0.000 0.000 0.284 256 I C -0.274 175.854 176.117 0.018 0.000 1.012 256 I CA -0.390 60.879 61.300 -0.052 0.000 1.119 256 I CB 1.554 39.535 38.000 -0.033 0.000 1.261 256 I HN 0.558 nan 8.210 nan 0.000 0.448 257 C N 3.509 122.821 119.300 0.019 0.000 2.422 257 C HA 0.630 5.090 4.460 -0.000 0.000 0.364 257 C C 1.532 176.540 174.990 0.029 0.000 1.251 257 C CA 0.501 59.526 59.018 0.011 0.000 2.441 257 C CB 0.738 28.469 27.740 -0.015 0.000 2.393 257 C HN 1.105 nan 8.230 nan 0.000 0.606 258 G N 1.329 110.132 108.800 0.005 0.000 2.143 258 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.248 258 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.248 258 G C -0.341 174.582 174.900 0.039 0.000 0.991 258 G CA 0.014 45.120 45.100 0.011 0.000 0.689 258 G HN 0.605 nan 8.290 nan 0.000 0.522 259 K N 0.785 121.228 120.400 0.071 0.000 2.358 259 K HA 0.664 4.984 4.320 -0.000 0.000 0.260 259 K C -0.439 176.194 176.600 0.056 0.000 0.956 259 K CA -0.413 55.928 56.287 0.090 0.000 0.834 259 K CB 1.865 34.507 32.500 0.237 0.000 1.102 259 K HN 0.133 nan 8.250 nan 0.000 0.431 260 S N 1.859 117.563 115.700 0.006 0.000 2.503 260 S HA 0.385 4.855 4.470 -0.000 0.000 0.301 260 S C -0.595 173.984 174.600 -0.034 0.000 1.087 260 S CA -0.818 57.379 58.200 -0.005 0.000 1.042 260 S CB 1.427 64.624 63.200 -0.006 0.000 1.043 260 S HN 0.482 nan 8.310 nan 0.000 0.489 261 L N 3.330 124.537 121.223 -0.026 0.000 2.363 261 L HA 0.657 4.997 4.340 -0.000 0.000 0.286 261 L C -0.186 176.670 176.870 -0.023 0.000 1.106 261 L CA 0.809 55.624 54.840 -0.041 0.000 0.859 261 L CB -0.065 41.976 42.059 -0.030 0.000 1.223 261 L HN 0.601 nan 8.230 nan 0.000 0.446 262 S N 2.474 118.158 115.700 -0.028 0.000 2.552 262 S HA 0.262 4.732 4.470 -0.000 0.000 0.272 262 S C 0.493 175.082 174.600 -0.018 0.000 1.150 262 S CA -0.404 57.786 58.200 -0.016 0.000 0.849 262 S CB 1.388 64.581 63.200 -0.011 0.000 1.113 262 S HN 0.694 nan 8.310 nan 0.000 0.458 263 E N 2.566 122.758 120.200 -0.013 0.000 2.136 263 E HA -0.190 4.159 4.350 -0.000 0.000 0.202 263 E C 1.162 177.756 176.600 -0.011 0.000 1.019 263 E CA 2.255 58.648 56.400 -0.011 0.000 0.819 263 E CB -0.125 29.568 29.700 -0.012 0.000 0.739 263 E HN 0.540 nan 8.360 nan 0.000 0.458 264 N N -0.752 117.942 118.700 -0.011 0.000 2.336 264 N HA 0.067 4.807 4.740 -0.000 0.000 0.189 264 N C 0.161 175.663 175.510 -0.014 0.000 1.113 264 N CA 0.261 53.306 53.050 -0.010 0.000 0.858 264 N CB 0.424 38.908 38.487 -0.006 0.000 0.970 264 N HN 0.261 nan 8.380 nan 0.000 0.471 265 E N -1.028 119.158 120.200 -0.022 0.000 4.168 265 E HA 0.326 4.676 4.350 -0.000 0.000 0.270 265 E C -0.354 176.212 176.600 -0.058 0.000 0.941 265 E CA -0.678 55.701 56.400 -0.035 0.000 1.248 265 E CB 0.585 30.265 29.700 -0.034 0.000 2.362 265 E HN -0.062 nan 8.360 nan 0.000 0.486 266 I N 2.515 123.030 120.570 -0.092 0.000 2.441 266 I HA 0.148 4.318 4.170 -0.000 0.000 0.287 266 I C 0.149 176.211 176.117 -0.092 0.000 1.049 266 I CA 0.008 61.222 61.300 -0.143 0.000 1.381 266 I CB 0.888 38.729 38.000 -0.264 0.000 1.409 266 I HN 0.430 nan 8.210 nan 0.000 0.523 267 T N 2.694 117.209 114.554 -0.065 0.000 2.865 267 T HA 0.460 4.810 4.350 -0.000 0.000 0.294 267 T C 0.838 175.553 174.700 0.025 0.000 1.119 267 T CA -0.905 61.184 62.100 -0.018 0.000 1.007 267 T CB 1.407 70.279 68.868 0.006 0.000 1.225 267 T HN 0.402 nan 8.240 nan 0.000 0.515 268 L N 0.816 122.075 121.223 0.061 0.000 2.083 268 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 268 L C 2.527 179.589 176.870 0.320 0.000 1.083 268 L CA 1.164 56.115 54.840 0.185 0.000 0.752 268 L CB -0.632 41.482 42.059 0.092 0.000 0.899 268 L HN 0.659 nan 8.230 nan 0.000 0.433 269 N N -0.291 118.518 118.700 0.182 0.000 2.142 269 N HA -0.147 4.593 4.740 -0.000 0.000 0.186 269 N C 1.993 177.564 175.510 0.101 0.000 1.023 269 N CA 2.060 55.195 53.050 0.142 0.000 0.852 269 N CB -0.535 38.004 38.487 0.086 0.000 0.998 269 N HN 0.448 nan 8.380 nan 0.000 0.424 270 T N -0.468 114.129 114.554 0.072 0.000 2.821 270 T HA 0.014 4.363 4.350 -0.000 0.000 0.267 270 T C 2.198 176.948 174.700 0.083 0.000 1.046 270 T CA 0.617 62.746 62.100 0.049 0.000 1.139 270 T CB -0.530 68.341 68.868 0.005 0.000 0.871 270 T HN 0.069 nan 8.240 nan 0.000 0.454 271 L N 0.685 121.970 121.223 0.104 0.000 2.056 271 L HA -0.006 4.334 4.340 -0.000 0.000 0.207 271 L C 3.061 180.085 176.870 0.256 0.000 1.078 271 L CA 1.643 56.587 54.840 0.173 0.000 0.749 271 L CB -0.531 41.605 42.059 0.129 0.000 0.901 271 L HN 0.282 nan 8.230 nan 0.000 0.433 272 K N 0.466 120.930 120.400 0.107 0.000 2.057 272 K HA -0.219 4.101 4.320 -0.000 0.000 0.207 272 K C 1.960 178.524 176.600 -0.059 0.000 1.049 272 K CA 1.528 57.709 56.287 -0.176 0.000 0.931 272 K CB 0.003 32.339 32.500 -0.273 0.000 0.714 272 K HN 0.288 nan 8.250 nan 0.000 0.440 273 E N 0.400 120.607 120.200 0.010 0.000 2.118 273 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 273 E C 1.487 178.107 176.600 0.033 0.000 0.992 273 E CA 1.258 57.666 56.400 0.013 0.000 0.804 273 E CB 0.109 29.826 29.700 0.028 0.000 0.741 273 E HN 0.404 nan 8.360 nan 0.000 0.458 274 E N -1.065 119.194 120.200 0.098 0.000 2.511 274 E HA -0.010 4.340 4.350 -0.000 0.000 0.196 274 E C 0.894 177.504 176.600 0.016 0.000 1.066 274 E CA 0.322 56.788 56.400 0.110 0.000 0.871 274 E CB 0.412 30.270 29.700 0.262 0.000 0.863 274 E HN 0.396 nan 8.360 nan 0.000 0.520 275 G N 0.668 109.469 108.800 0.003 0.000 2.159 275 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.227 275 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.227 275 G C -0.228 174.619 174.900 -0.088 0.000 0.986 275 G CA -0.379 44.677 45.100 -0.072 0.000 0.651 275 G HN 0.225 nan 8.290 nan 0.000 0.523 276 Y N 0.922 121.242 120.300 0.033 0.000 2.511 276 Y HA 0.380 4.930 4.550 -0.000 0.000 0.332 276 Y C 1.774 177.717 175.900 0.070 0.000 1.177 276 Y CA 0.291 58.461 58.100 0.117 0.000 1.422 276 Y CB 0.828 39.421 38.460 0.221 0.000 1.271 276 Y HN -0.075 nan 8.280 nan 0.000 0.550 277 K N 1.990 122.565 120.400 0.292 0.000 2.323 277 K HA 0.368 4.688 4.320 -0.000 0.000 0.197 277 K C 0.104 177.030 176.600 0.545 0.000 1.043 277 K CA 0.510 56.975 56.287 0.297 0.000 0.997 277 K CB 0.384 33.059 32.500 0.291 0.000 0.807 277 K HN 0.589 nan 8.250 nan 0.000 0.497 278 A N 0.290 123.472 122.820 0.603 0.000 2.594 278 A HA 0.760 5.080 4.320 -0.000 0.000 0.295 278 A C -1.647 176.252 177.584 0.526 0.000 1.071 278 A CA -0.424 51.994 52.037 0.635 0.000 0.685 278 A CB 1.733 20.975 19.000 0.403 0.000 1.285 278 A HN 0.053 nan 8.150 nan 0.000 0.405 279 A N 0.450 123.480 122.820 0.349 0.000 2.486 279 A HA 0.777 5.097 4.320 -0.000 0.000 0.300 279 A C -1.543 176.146 177.584 0.175 0.000 1.048 279 A CA -0.368 51.779 52.037 0.183 0.000 0.696 279 A CB 1.015 19.996 19.000 -0.031 0.000 1.278 279 A HN 1.773 nan 8.150 nan 0.000 0.405 280 F N 3.827 123.804 119.950 0.045 0.000 2.449 280 F HA 0.651 5.177 4.527 -0.000 0.000 0.342 280 F C -0.899 174.912 175.800 0.017 0.000 1.127 280 F CA -1.171 56.857 58.000 0.046 0.000 0.975 280 F CB 1.112 40.136 39.000 0.040 0.000 1.146 280 F HN 0.378 nan 8.300 nan 0.000 0.444 281 I N 5.771 125.926 120.570 -0.691 0.000 2.297 281 I HA 0.336 4.505 4.170 -0.000 0.000 0.291 281 I C 0.705 176.394 176.117 -0.714 0.000 1.033 281 I CA -0.388 60.607 61.300 -0.509 0.000 1.253 281 I CB 0.552 38.331 38.000 -0.369 0.000 1.396 281 I HN 0.865 nan 8.210 nan 0.000 0.476 282 G N 6.383 115.001 108.800 -0.303 0.000 4.885 282 G HA2 0.323 4.283 3.960 -0.000 0.000 0.263 282 G HA3 0.323 4.283 3.960 -0.000 0.000 0.263 282 G C 0.748 175.657 174.900 0.015 0.000 1.168 282 G CA -0.196 44.850 45.100 -0.089 0.000 0.906 282 G HN 0.699 nan 8.290 nan 0.000 0.575 283 I N -1.977 118.576 120.570 -0.028 0.000 3.684 283 I HA 0.421 4.591 4.170 -0.000 0.000 0.304 283 I C 1.229 177.359 176.117 0.023 0.000 1.278 283 I CA 0.278 61.585 61.300 0.011 0.000 1.272 283 I CB -0.196 37.805 38.000 0.002 0.000 1.029 283 I HN 0.316 nan 8.210 nan 0.000 0.458 284 G N 2.701 111.510 108.800 0.014 0.000 2.575 284 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.267 284 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.267 284 G C -0.370 174.548 174.900 0.030 0.000 1.264 284 G CA 0.146 45.262 45.100 0.027 0.000 0.935 284 G HN 0.369 nan 8.290 nan 0.000 0.568 285 L N 1.468 122.717 121.223 0.044 0.000 2.356 285 L HA 0.325 4.665 4.340 -0.000 0.000 0.264 285 L C -1.556 175.352 176.870 0.062 0.000 1.029 285 L CA -1.612 53.260 54.840 0.054 0.000 0.897 285 L CB 2.042 44.136 42.059 0.057 0.000 1.256 285 L HN 0.308 nan 8.230 nan 0.000 0.444 286 P HA -0.107 nan 4.420 nan 0.000 0.219 286 P C -0.103 177.239 177.300 0.070 0.000 1.146 286 P CA 1.190 64.328 63.100 0.062 0.000 0.808 286 P CB 0.374 32.105 31.700 0.052 0.000 0.779 287 E N -0.401 119.843 120.200 0.074 0.000 2.244 287 E HA 0.337 4.687 4.350 -0.000 0.000 0.266 287 E C -2.500 174.159 176.600 0.098 0.000 0.914 287 E CA -2.740 53.710 56.400 0.083 0.000 0.794 287 E CB 1.250 30.997 29.700 0.078 0.000 1.210 287 E HN 0.055 nan 8.360 nan 0.000 0.414 288 P HA 0.067 nan 4.420 nan 0.000 0.278 288 P C -1.087 176.312 177.300 0.165 0.000 1.238 288 P CA -0.432 62.749 63.100 0.135 0.000 0.794 288 P CB 0.866 32.647 31.700 0.136 0.000 0.955 289 K N 1.902 122.422 120.400 0.200 0.000 2.349 289 K HA 0.250 4.570 4.320 -0.000 0.000 0.288 289 K C 0.167 176.959 176.600 0.320 0.000 1.058 289 K CA -0.147 56.273 56.287 0.223 0.000 0.953 289 K CB 0.085 32.728 32.500 0.238 0.000 0.997 289 K HN 0.517 nan 8.250 nan 0.000 0.477 290 T N 0.265 114.973 114.554 0.256 0.000 2.950 290 T HA 0.323 4.673 4.350 -0.000 0.000 0.288 290 T C -0.663 174.180 174.700 0.238 0.000 1.035 290 T CA -1.027 61.268 62.100 0.324 0.000 1.028 290 T CB 1.633 70.651 68.868 0.250 0.000 1.109 290 T HN 0.488 nan 8.240 nan 0.000 0.514 291 D N -0.388 120.203 120.400 0.317 0.000 2.498 291 D HA 0.248 4.888 4.640 -0.000 0.000 0.247 291 D C 0.375 176.653 176.300 -0.037 0.000 1.070 291 D CA -0.448 53.597 54.000 0.074 0.000 0.842 291 D CB 2.403 43.231 40.800 0.047 0.000 1.361 291 D HN 0.654 nan 8.370 nan 0.000 0.484 292 D N 2.349 122.684 120.400 -0.110 0.000 2.158 292 D HA -0.191 4.449 4.640 -0.000 0.000 0.197 292 D C 1.995 178.169 176.300 -0.209 0.000 0.995 292 D CA 1.431 55.358 54.000 -0.122 0.000 0.846 292 D CB -0.069 40.665 40.800 -0.110 0.000 0.941 292 D HN 0.668 nan 8.370 nan 0.000 0.456 293 I N -2.999 117.342 120.570 -0.382 0.000 2.700 293 I HA -0.120 4.050 4.170 -0.000 0.000 0.261 293 I C 1.072 176.877 176.117 -0.521 0.000 1.219 293 I CA 1.002 62.006 61.300 -0.494 0.000 1.463 293 I CB -0.594 37.003 38.000 -0.671 0.000 1.092 293 I HN -0.096 nan 8.210 nan 0.000 0.452 294 F N 1.348 121.160 119.950 -0.231 0.000 2.727 294 F HA 0.230 4.757 4.527 -0.000 0.000 0.302 294 F C 1.423 176.969 175.800 -0.424 0.000 1.097 294 F CA -0.627 57.073 58.000 -0.500 0.000 1.330 294 F CB -0.029 38.504 39.000 -0.778 0.000 1.084 294 F HN 0.138 nan 8.300 nan 0.000 0.578 295 Q N 1.018 120.757 119.800 -0.101 0.000 2.286 295 Q HA 0.211 4.551 4.340 -0.000 0.000 0.290 295 Q C 1.305 177.260 176.000 -0.074 0.000 1.049 295 Q CA 1.169 56.934 55.803 -0.064 0.000 0.923 295 Q CB 0.633 29.339 28.738 -0.053 0.000 1.183 295 Q HN 0.577 nan 8.270 nan 0.000 0.383 296 G N 3.232 112.006 108.800 -0.043 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 0.096 174.973 174.900 -0.038 0.000 0.998 296 G CA 0.191 45.271 45.100 -0.034 0.000 0.621 296 G HN 0.587 nan 8.290 nan 0.000 0.524 297 L N 2.311 123.480 121.223 -0.090 0.000 2.453 297 L HA 0.479 4.819 4.340 -0.000 0.000 0.272 297 L C 1.394 178.296 176.870 0.053 0.000 1.182 297 L CA 0.569 55.368 54.840 -0.069 0.000 0.858 297 L CB 0.768 42.672 42.059 -0.259 0.000 1.120 297 L HN 0.482 nan 8.230 nan 0.000 0.474 298 T N -1.136 113.443 114.554 0.042 0.000 2.949 298 T HA 0.259 4.609 4.350 -0.000 0.000 0.287 298 T C 0.595 175.252 174.700 -0.071 0.000 1.034 298 T CA -0.791 61.315 62.100 0.010 0.000 1.018 298 T CB 1.644 70.504 68.868 -0.014 0.000 1.135 298 T HN 0.592 nan 8.240 nan 0.000 0.532 299 Q N -0.141 119.534 119.800 -0.209 0.000 2.119 299 Q HA -0.106 4.233 4.340 -0.000 0.000 0.201 299 Q C 1.545 177.396 176.000 -0.247 0.000 0.972 299 Q CA 1.465 56.970 55.803 -0.496 0.000 0.847 299 Q CB -0.074 28.342 28.738 -0.537 0.000 0.903 299 Q HN 0.664 nan 8.270 nan 0.000 0.433 300 D N 0.564 120.901 120.400 -0.106 0.000 2.178 300 D HA -0.151 4.489 4.640 -0.000 0.000 0.201 300 D C 1.598 177.889 176.300 -0.016 0.000 0.980 300 D CA 1.106 55.085 54.000 -0.035 0.000 0.842 300 D CB 0.034 40.825 40.800 -0.014 0.000 0.948 300 D HN 0.361 nan 8.370 nan 0.000 0.472 301 Q N -0.772 119.016 119.800 -0.020 0.000 2.378 301 Q HA 0.126 4.466 4.340 -0.000 0.000 0.205 301 Q C 1.147 177.161 176.000 0.023 0.000 0.954 301 Q CA 0.818 56.626 55.803 0.007 0.000 0.901 301 Q CB 0.604 29.351 28.738 0.014 0.000 0.981 301 Q HN 0.324 nan 8.270 nan 0.000 0.483 302 G N 0.449 109.248 108.800 -0.001 0.000 2.159 302 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.170 302 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.170 302 G C -0.551 174.388 174.900 0.065 0.000 1.007 302 G CA -0.499 44.631 45.100 0.051 0.000 0.672 302 G HN 0.268 nan 8.290 nan 0.000 0.507 303 F N 1.684 121.518 119.950 -0.194 0.000 2.420 303 F HA 0.818 5.345 4.527 -0.000 0.000 0.342 303 F C -0.515 175.096 175.800 -0.316 0.000 1.113 303 F CA -1.443 56.444 58.000 -0.187 0.000 1.059 303 F CB 0.936 39.835 39.000 -0.168 0.000 1.128 303 F HN 0.049 nan 8.300 nan 0.000 0.475 304 Y N 1.736 121.300 120.300 -1.227 0.000 2.562 304 Y HA 0.475 5.025 4.550 -0.000 0.000 0.345 304 Y C 0.080 175.330 175.900 -1.082 0.000 1.045 304 Y CA -1.101 56.490 58.100 -0.848 0.000 1.028 304 Y CB 1.977 40.186 38.460 -0.418 0.000 1.297 304 Y HN 0.661 nan 8.280 nan 0.000 0.463 305 T N -2.892 111.443 114.554 -0.364 0.000 2.944 305 T HA 0.312 4.662 4.350 -0.000 0.000 0.284 305 T C 1.046 175.713 174.700 -0.055 0.000 1.010 305 T CA -0.106 61.864 62.100 -0.217 0.000 1.025 305 T CB 1.430 70.298 68.868 -0.001 0.000 1.079 305 T HN 0.719 nan 8.240 nan 0.000 0.516 306 S N 0.682 116.364 115.700 -0.030 0.000 2.400 306 S HA -0.123 4.347 4.470 -0.000 0.000 0.232 306 S C 1.704 176.350 174.600 0.077 0.000 1.025 306 S CA 0.431 58.660 58.200 0.048 0.000 0.993 306 S CB -0.542 62.676 63.200 0.030 0.000 0.808 306 S HN 0.668 nan 8.310 nan 0.000 0.478 307 K N 1.092 121.533 120.400 0.069 0.000 2.283 307 K HA -0.004 4.316 4.320 -0.000 0.000 0.202 307 K C 1.094 177.746 176.600 0.086 0.000 1.048 307 K CA 1.097 57.429 56.287 0.074 0.000 0.948 307 K CB -0.272 32.277 32.500 0.081 0.000 0.742 307 K HN 0.527 nan 8.250 nan 0.000 0.458 308 D N -0.220 120.249 120.400 0.115 0.000 2.202 308 D HA -0.071 4.569 4.640 -0.000 0.000 0.214 308 D C 1.715 178.144 176.300 0.215 0.000 0.967 308 D CA 0.486 54.583 54.000 0.162 0.000 0.871 308 D CB -0.344 40.569 40.800 0.189 0.000 1.020 308 D HN 0.016 nan 8.370 nan 0.000 0.474 309 F N 2.022 121.999 119.950 0.044 0.000 2.039 309 F HA -0.063 4.464 4.527 -0.000 0.000 0.294 309 F C 2.231 177.975 175.800 -0.092 0.000 1.130 309 F CA 1.149 59.088 58.000 -0.102 0.000 1.189 309 F CB -0.620 38.209 39.000 -0.285 0.000 0.983 309 F HN -0.173 nan 8.300 nan 0.000 0.471 310 L N 0.149 121.239 121.223 -0.222 0.000 2.043 310 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 310 L C -0.514 176.186 176.870 -0.284 0.000 1.075 310 L CA 1.545 56.188 54.840 -0.330 0.000 0.752 310 L CB -2.107 39.880 42.059 -0.120 0.000 0.891 310 L HN 0.161 nan 8.230 nan 0.000 0.432 311 P HA -0.141 nan 4.420 nan 0.000 0.219 311 P C 1.903 179.092 177.300 -0.184 0.000 1.150 311 P CA 1.165 64.168 63.100 -0.161 0.000 0.814 311 P CB 0.118 31.784 31.700 -0.057 0.000 0.787 312 L N -1.296 119.823 121.223 -0.174 0.000 2.056 312 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 312 L C 2.245 178.984 176.870 -0.218 0.000 1.078 312 L CA 1.344 56.096 54.840 -0.146 0.000 0.749 312 L CB -0.973 41.043 42.059 -0.071 0.000 0.901 312 L HN -0.120 nan 8.230 nan 0.000 0.433 313 V N -0.187 119.514 119.914 -0.356 0.000 2.427 313 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 313 V C 2.717 178.645 176.094 -0.277 0.000 1.051 313 V CA 1.598 63.720 62.300 -0.298 0.000 1.048 313 V CB -0.895 30.699 31.823 -0.381 0.000 0.666 313 V HN 0.449 nan 8.190 nan 0.000 0.456 314 A N 0.165 122.807 122.820 -0.296 0.000 1.877 314 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 314 A C 2.292 179.678 177.584 -0.330 0.000 1.186 314 A CA 1.978 53.826 52.037 -0.315 0.000 0.620 314 A CB -0.463 18.351 19.000 -0.310 0.000 0.822 314 A HN 0.532 nan 8.150 nan 0.000 0.443 315 K N 0.328 120.557 120.400 -0.286 0.000 2.152 315 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 315 K C 2.211 178.688 176.600 -0.205 0.000 1.048 315 K CA 1.648 57.787 56.287 -0.246 0.000 0.933 315 K CB -0.188 32.210 32.500 -0.170 0.000 0.721 315 K HN 0.682 nan 8.250 nan 0.000 0.447 316 S N -0.133 115.445 115.700 -0.203 0.000 2.501 316 S HA -0.024 4.445 4.470 -0.000 0.000 0.220 316 S C 1.827 176.262 174.600 -0.275 0.000 0.997 316 S CA 0.725 58.824 58.200 -0.169 0.000 0.919 316 S CB 0.180 63.316 63.200 -0.107 0.000 0.778 316 S HN 0.232 nan 8.310 nan 0.000 0.523 317 S N 0.515 115.942 115.700 -0.456 0.000 2.511 317 S HA 0.332 4.801 4.470 -0.000 0.000 0.214 317 S C 0.332 174.657 174.600 -0.459 0.000 0.997 317 S CA -0.578 57.184 58.200 -0.730 0.000 0.908 317 S CB -0.252 61.981 63.200 -1.611 0.000 0.803 317 S HN 0.371 nan 8.310 nan 0.000 0.504 318 K N 2.613 122.804 120.400 -0.347 0.000 2.354 318 K HA 0.582 4.902 4.320 -0.000 0.000 0.257 318 K C -0.701 175.750 176.600 -0.248 0.000 1.062 318 K CA -0.305 55.819 56.287 -0.272 0.000 0.971 318 K CB 1.309 33.596 32.500 -0.354 0.000 1.305 318 K HN 0.327 nan 8.250 nan 0.000 0.449 319 A N 1.715 124.467 122.820 -0.113 0.000 2.491 319 A HA 0.433 4.753 4.320 -0.000 0.000 0.261 319 A C 1.266 178.832 177.584 -0.031 0.000 1.101 319 A CA 0.956 52.964 52.037 -0.048 0.000 0.772 319 A CB -0.316 18.695 19.000 0.019 0.000 1.043 319 A HN 0.968 nan 8.150 nan 0.000 0.501 320 G N 1.910 110.658 108.800 -0.087 0.000 2.278 320 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.210 320 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.210 320 G C 1.108 175.867 174.900 -0.235 0.000 1.000 320 G CA 0.654 45.743 45.100 -0.019 0.000 0.635 320 G HN 0.853 nan 8.290 nan 0.000 0.495 321 M N 0.396 119.604 119.600 -0.653 0.000 2.067 321 M HA 0.125 4.605 4.480 -0.000 0.000 0.260 321 M C 1.063 177.203 176.300 -0.267 0.000 1.069 321 M CA 2.074 56.921 55.300 -0.754 0.000 1.117 321 M CB -0.132 31.983 32.600 -0.807 0.000 1.334 321 M HN 0.408 nan 8.290 nan 0.000 0.407 322 C N -0.647 118.530 119.300 -0.205 0.000 2.486 322 C HA 0.666 5.125 4.460 -0.000 0.000 0.348 322 C C 1.783 176.711 174.990 -0.102 0.000 1.203 322 C CA -0.729 58.233 59.018 -0.093 0.000 1.911 322 C CB 1.145 28.837 27.740 -0.080 0.000 2.340 322 C HN 0.664 nan 8.230 nan 0.000 0.511 323 A N 0.587 123.364 122.820 -0.071 0.000 1.835 323 A HA -0.040 4.280 4.320 -0.000 0.000 0.215 323 A C 1.169 178.650 177.584 -0.171 0.000 1.199 323 A CA 1.862 53.844 52.037 -0.092 0.000 0.615 323 A CB -1.045 17.924 19.000 -0.052 0.000 0.838 323 A HN 1.111 nan 8.150 nan 0.000 0.444 324 C N -1.387 117.826 119.300 -0.145 0.000 2.443 324 C HA 0.675 5.135 4.460 -0.000 0.000 0.369 324 C C 0.391 175.260 174.990 -0.200 0.000 1.241 324 C CA -1.447 57.458 59.018 -0.188 0.000 2.413 324 C CB -0.293 27.403 27.740 -0.074 0.000 2.451 324 C HN 0.564 nan 8.230 nan 0.000 0.595 325 H N 1.329 120.383 119.070 -0.026 0.000 2.629 325 H HA 0.480 5.036 4.556 -0.000 0.000 0.357 325 H C 0.429 175.736 175.328 -0.034 0.000 1.121 325 H CA 0.777 56.803 56.048 -0.037 0.000 1.406 325 H CB 1.276 31.022 29.762 -0.028 0.000 1.456 325 H HN 0.962 nan 8.280 nan 0.000 0.579 326 S N 2.647 118.397 115.700 0.083 0.000 2.548 326 S HA 0.486 4.956 4.470 -0.000 0.000 0.286 326 S C -2.877 171.733 174.600 0.017 0.000 1.098 326 S CA -1.537 56.681 58.200 0.030 0.000 0.930 326 S CB 2.745 65.939 63.200 -0.010 0.000 1.070 326 S HN 0.400 nan 8.310 nan 0.000 0.480 327 P HA 0.339 nan 4.420 nan 0.000 0.276 327 P C -0.909 176.402 177.300 0.019 0.000 1.244 327 P CA -0.635 62.478 63.100 0.021 0.000 0.801 327 P CB 0.569 32.289 31.700 0.032 0.000 1.006 328 L N 4.024 125.268 121.223 0.034 0.000 2.331 328 L HA 0.349 4.689 4.340 -0.000 0.000 0.278 328 L C -2.147 174.763 176.870 0.068 0.000 1.106 328 L CA -1.984 52.888 54.840 0.052 0.000 0.824 328 L CB -0.428 41.692 42.059 0.101 0.000 1.142 328 L HN 0.269 nan 8.230 nan 0.000 0.443 329 P HA -0.022 nan 4.420 nan 0.000 0.262 329 P C -0.822 176.549 177.300 0.119 0.000 1.182 329 P CA 0.181 63.353 63.100 0.120 0.000 0.761 329 P CB 0.434 32.225 31.700 0.152 0.000 0.795 330 S N 4.434 120.203 115.700 0.115 0.000 2.701 330 S HA 0.223 4.693 4.470 -0.000 0.000 0.317 330 S C 0.011 174.664 174.600 0.089 0.000 1.149 330 S CA -0.587 57.667 58.200 0.090 0.000 1.052 330 S CB -1.014 62.232 63.200 0.077 0.000 1.257 330 S HN 0.148 nan 8.310 nan 0.000 0.532 331 I N 6.370 126.980 120.570 0.067 0.000 2.306 331 I HA 0.452 4.622 4.170 -0.000 0.000 0.288 331 I C 0.314 176.443 176.117 0.020 0.000 1.036 331 I CA -0.398 60.920 61.300 0.030 0.000 1.221 331 I CB 0.554 38.545 38.000 -0.015 0.000 1.385 331 I HN 0.427 nan 8.210 nan 0.000 0.472 332 R N 3.849 124.364 120.500 0.025 0.000 2.562 332 R HA 0.764 5.104 4.340 -0.000 0.000 0.298 332 R C 0.423 176.734 176.300 0.018 0.000 0.961 332 R CA -0.315 55.797 56.100 0.021 0.000 0.881 332 R CB 1.978 32.295 30.300 0.029 0.000 1.159 332 R HN 0.883 nan 8.270 nan 0.000 0.450 333 G N 1.159 109.968 108.800 0.016 0.000 2.508 333 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.220 333 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.220 333 G C -1.023 173.892 174.900 0.025 0.000 1.287 333 G CA -0.349 44.766 45.100 0.025 0.000 0.916 333 G HN 0.765 nan 8.290 nan 0.000 0.574 334 A N -0.824 122.030 122.820 0.057 0.000 2.328 334 A HA 0.715 5.035 4.320 -0.000 0.000 0.284 334 A C 0.131 177.762 177.584 0.079 0.000 1.160 334 A CA 0.234 52.336 52.037 0.108 0.000 0.818 334 A CB 1.152 20.276 19.000 0.206 0.000 1.087 334 A HN 1.809 nan 8.150 nan 0.000 0.504 335 V N 3.962 123.917 119.914 0.068 0.000 2.495 335 V HA 0.397 4.517 4.120 -0.000 0.000 0.298 335 V C -0.204 175.924 176.094 0.057 0.000 1.031 335 V CA -0.276 62.021 62.300 -0.005 0.000 0.871 335 V CB 1.567 33.318 31.823 -0.119 0.000 0.988 335 V HN 0.758 nan 8.190 nan 0.000 0.432 336 I N 4.565 125.139 120.570 0.006 0.000 2.362 336 I HA 0.459 4.629 4.170 -0.000 0.000 0.289 336 I C -0.720 175.346 176.117 -0.085 0.000 0.994 336 I CA -0.675 60.638 61.300 0.023 0.000 1.158 336 I CB 1.948 39.993 38.000 0.075 0.000 1.315 336 I HN 0.276 nan 8.210 nan 0.000 0.451 337 V N 7.678 127.519 119.914 -0.121 0.000 2.384 337 V HA 0.394 4.513 4.120 -0.000 0.000 0.287 337 V C -0.050 175.947 176.094 -0.162 0.000 1.020 337 V CA -0.562 61.622 62.300 -0.194 0.000 0.850 337 V CB 1.760 33.445 31.823 -0.231 0.000 0.987 337 V HN 0.469 nan 8.190 nan 0.000 0.436 338 L N 5.277 126.378 121.223 -0.203 0.000 2.265 338 L HA 0.918 5.258 4.340 -0.000 0.000 0.289 338 L C 0.638 177.365 176.870 -0.238 0.000 1.033 338 L CA 0.104 54.847 54.840 -0.163 0.000 0.814 338 L CB 1.158 43.086 42.059 -0.219 0.000 1.203 338 L HN 0.899 nan 8.230 nan 0.000 0.423 339 G N 2.139 110.968 108.800 0.048 0.000 2.353 339 G HA2 0.375 4.335 3.960 -0.000 0.000 0.308 339 G HA3 0.375 4.335 3.960 -0.000 0.000 0.308 339 G C -0.811 174.237 174.900 0.247 0.000 1.418 339 G CA -0.068 45.111 45.100 0.132 0.000 0.966 339 G HN 0.612 nan 8.290 nan 0.000 0.638 340 A N -0.661 122.261 122.820 0.169 0.000 2.630 340 A HA 0.788 5.108 4.320 -0.000 0.000 0.287 340 A C 0.934 178.640 177.584 0.204 0.000 1.040 340 A CA 1.294 53.375 52.037 0.073 0.000 0.971 340 A CB 0.069 18.890 19.000 -0.298 0.000 1.241 340 A HN 2.073 nan 8.150 nan 0.000 0.558 341 G N -1.122 107.808 108.800 0.217 0.000 2.753 341 G HA2 0.433 4.393 3.960 -0.000 0.000 0.285 341 G HA3 0.433 4.393 3.960 -0.000 0.000 0.285 341 G C -0.031 175.052 174.900 0.305 0.000 1.344 341 G CA -0.041 45.175 45.100 0.193 0.000 1.050 341 G HN -0.042 nan 8.290 nan 0.000 0.532 342 D N -0.322 120.183 120.400 0.174 0.000 2.149 342 D HA -0.120 4.520 4.640 -0.000 0.000 0.198 342 D C 2.586 179.003 176.300 0.194 0.000 0.990 342 D CA 1.793 55.897 54.000 0.173 0.000 0.839 342 D CB -0.309 40.538 40.800 0.078 0.000 0.948 342 D HN 0.316 nan 8.370 nan 0.000 0.460 343 T N 0.926 115.563 114.554 0.139 0.000 2.684 343 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 343 T C 2.061 176.816 174.700 0.092 0.000 1.036 343 T CA 1.770 63.930 62.100 0.101 0.000 1.148 343 T CB -0.341 68.571 68.868 0.073 0.000 0.863 343 T HN 0.232 nan 8.240 nan 0.000 0.436 344 A N 0.860 123.728 122.820 0.079 0.000 1.877 344 A HA -0.009 4.311 4.320 -0.000 0.000 0.216 344 A C 2.006 179.537 177.584 -0.088 0.000 1.186 344 A CA 1.412 53.422 52.037 -0.045 0.000 0.620 344 A CB -1.040 17.903 19.000 -0.096 0.000 0.822 344 A HN 0.479 nan 8.150 nan 0.000 0.443 345 F N 0.419 120.422 119.950 0.088 0.000 2.234 345 F HA -0.126 4.401 4.527 -0.000 0.000 0.299 345 F C 2.005 177.870 175.800 0.107 0.000 1.087 345 F CA 1.510 59.570 58.000 0.100 0.000 1.340 345 F CB -0.229 38.835 39.000 0.106 0.000 1.031 345 F HN 0.189 nan 8.300 nan 0.000 0.500 346 D N -0.847 119.707 120.400 0.257 0.000 2.183 346 D HA -0.106 4.534 4.640 -0.000 0.000 0.203 346 D C 2.306 178.731 176.300 0.210 0.000 0.969 346 D CA 0.875 55.007 54.000 0.220 0.000 0.842 346 D CB -0.492 40.385 40.800 0.129 0.000 0.957 346 D HN 0.243 nan 8.370 nan 0.000 0.484 347 C N 0.820 120.214 119.300 0.156 0.000 2.440 347 C HA 0.040 4.500 4.460 -0.000 0.000 0.278 347 C C 2.850 177.914 174.990 0.123 0.000 1.295 347 C CA 0.676 59.812 59.018 0.198 0.000 1.738 347 C CB -0.834 26.937 27.740 0.052 0.000 1.987 347 C HN 0.350 nan 8.230 nan 0.000 0.492 348 A N 1.363 124.191 122.820 0.012 0.000 1.858 348 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 348 A C 2.305 179.893 177.584 0.006 0.000 1.190 348 A CA 2.792 54.791 52.037 -0.063 0.000 0.617 348 A CB -1.323 17.582 19.000 -0.158 0.000 0.827 348 A HN 0.660 nan 8.150 nan 0.000 0.443 349 T N -2.725 111.885 114.554 0.094 0.000 2.821 349 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 349 T C 1.980 176.752 174.700 0.119 0.000 1.046 349 T CA 1.805 63.943 62.100 0.063 0.000 1.139 349 T CB -0.588 68.355 68.868 0.124 0.000 0.871 349 T HN 0.269 nan 8.240 nan 0.000 0.454 350 S N 1.799 117.698 115.700 0.332 0.000 2.402 350 S HA 0.182 4.652 4.470 -0.000 0.000 0.229 350 S C 2.607 177.378 174.600 0.285 0.000 1.021 350 S CA 0.766 59.180 58.200 0.358 0.000 0.974 350 S CB -0.736 62.632 63.200 0.280 0.000 0.800 350 S HN 0.759 nan 8.310 nan 0.000 0.484 351 A N 1.627 124.608 122.820 0.268 0.000 1.933 351 A HA -0.026 4.294 4.320 -0.000 0.000 0.218 351 A C 2.046 179.653 177.584 0.038 0.000 1.175 351 A CA 1.107 53.231 52.037 0.145 0.000 0.628 351 A CB -0.698 18.251 19.000 -0.085 0.000 0.814 351 A HN 0.470 nan 8.150 nan 0.000 0.444 352 L N -1.555 119.654 121.223 -0.023 0.000 2.083 352 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 352 L C 2.687 179.500 176.870 -0.096 0.000 1.083 352 L CA 1.209 55.999 54.840 -0.082 0.000 0.752 352 L CB -0.377 41.602 42.059 -0.132 0.000 0.899 352 L HN 0.211 nan 8.230 nan 0.000 0.433 353 R N -0.796 119.634 120.500 -0.116 0.000 2.189 353 R HA -0.054 4.286 4.340 -0.000 0.000 0.223 353 R C 1.987 178.266 176.300 -0.035 0.000 1.092 353 R CA 0.852 56.835 56.100 -0.196 0.000 0.989 353 R CB -0.822 29.217 30.300 -0.434 0.000 0.876 353 R HN 0.327 nan 8.270 nan 0.000 0.457 354 C N -1.112 118.217 119.300 0.049 0.000 2.626 354 C HA 0.396 4.855 4.460 -0.000 0.000 0.266 354 C C 1.417 176.436 174.990 0.047 0.000 1.317 354 C CA 0.468 59.539 59.018 0.089 0.000 1.716 354 C CB -0.653 27.184 27.740 0.162 0.000 1.819 354 C HN 0.717 nan 8.230 nan 0.000 0.578 355 G N 0.243 109.048 108.800 0.009 0.000 2.168 355 G HA2 0.020 3.979 3.960 -0.000 0.000 0.197 355 G HA3 0.020 3.979 3.960 -0.000 0.000 0.197 355 G C 0.149 175.041 174.900 -0.012 0.000 0.997 355 G CA 0.027 45.126 45.100 -0.001 0.000 0.658 355 G HN 0.845 nan 8.290 nan 0.000 0.513 356 A N 0.139 122.944 122.820 -0.024 0.000 2.540 356 A HA 0.585 4.905 4.320 -0.000 0.000 0.239 356 A C 1.378 178.934 177.584 -0.047 0.000 1.061 356 A CA 1.363 53.375 52.037 -0.042 0.000 0.758 356 A CB 0.205 19.163 19.000 -0.070 0.000 0.991 356 A HN 0.752 nan 8.150 nan 0.000 0.502 357 R N 1.048 121.526 120.500 -0.037 0.000 2.100 357 R HA 0.075 4.415 4.340 -0.000 0.000 0.220 357 R C 0.812 177.066 176.300 -0.076 0.000 1.091 357 R CA 1.147 57.226 56.100 -0.035 0.000 0.986 357 R CB 0.112 30.408 30.300 -0.007 0.000 0.888 357 R HN 0.783 nan 8.270 nan 0.000 0.444 358 R N -0.249 120.190 120.500 -0.102 0.000 2.643 358 R HA 0.362 4.701 4.340 -0.000 0.000 0.269 358 R C -1.998 174.148 176.300 -0.257 0.000 1.037 358 R CA -0.682 55.288 56.100 -0.217 0.000 0.894 358 R CB 2.413 32.578 30.300 -0.224 0.000 1.238 358 R HN -0.007 nan 8.270 nan 0.000 0.459 359 V N 4.011 123.674 119.914 -0.419 0.000 2.638 359 V HA 0.561 4.681 4.120 -0.000 0.000 0.306 359 V C -1.193 174.563 176.094 -0.563 0.000 1.052 359 V CA -0.636 61.450 62.300 -0.357 0.000 0.885 359 V CB 1.768 33.426 31.823 -0.275 0.000 0.999 359 V HN 0.562 nan 8.190 nan 0.000 0.424 360 F N 4.388 124.190 119.950 -0.248 0.000 2.449 360 F HA 0.600 5.127 4.527 -0.000 0.000 0.342 360 F C -0.048 175.532 175.800 -0.367 0.000 1.127 360 F CA -0.560 57.262 58.000 -0.297 0.000 0.975 360 F CB 1.608 40.477 39.000 -0.217 0.000 1.146 360 F HN 0.195 nan 8.300 nan 0.000 0.444 361 L N 4.727 125.728 121.223 -0.369 0.000 2.255 361 L HA 0.507 4.847 4.340 -0.000 0.000 0.289 361 L C -0.752 175.723 176.870 -0.659 0.000 1.046 361 L CA -0.694 53.841 54.840 -0.509 0.000 0.816 361 L CB 1.051 42.714 42.059 -0.660 0.000 1.197 361 L HN 0.334 nan 8.230 nan 0.000 0.427 362 V N 4.675 124.322 119.914 -0.446 0.000 2.370 362 V HA 0.408 4.528 4.120 -0.000 0.000 0.283 362 V C -0.144 175.839 176.094 -0.186 0.000 1.023 362 V CA -0.373 61.691 62.300 -0.393 0.000 0.857 362 V CB 1.061 32.746 31.823 -0.229 0.000 0.985 362 V HN 0.390 nan 8.190 nan 0.000 0.443 363 F N 3.369 123.334 119.950 0.024 0.000 2.450 363 F HA 0.532 5.059 4.527 -0.000 0.000 0.332 363 F C 1.292 177.078 175.800 -0.023 0.000 1.093 363 F CA -0.934 57.071 58.000 0.008 0.000 1.003 363 F CB 1.839 40.830 39.000 -0.015 0.000 1.151 363 F HN 0.394 nan 8.300 nan 0.000 0.474 364 R N 1.495 122.094 120.500 0.164 0.000 2.148 364 R HA 0.036 4.375 4.340 -0.000 0.000 0.223 364 R C 0.128 176.346 176.300 -0.136 0.000 1.088 364 R CA 1.090 57.212 56.100 0.037 0.000 0.985 364 R CB 0.261 30.546 30.300 -0.026 0.000 0.880 364 R HN 0.676 nan 8.270 nan 0.000 0.451 365 K N -1.226 119.004 120.400 -0.284 0.000 2.359 365 K HA 0.401 4.721 4.320 -0.000 0.000 0.261 365 K C 0.044 176.223 176.600 -0.702 0.000 1.050 365 K CA -0.619 55.341 56.287 -0.546 0.000 1.053 365 K CB 0.600 32.666 32.500 -0.722 0.000 1.492 365 K HN 0.085 nan 8.250 nan 0.000 0.640 366 G N -0.174 108.194 108.800 -0.719 0.000 2.522 366 G HA2 0.183 4.143 3.960 -0.000 0.000 0.304 366 G HA3 0.183 4.143 3.960 -0.000 0.000 0.304 366 G C -0.012 174.854 174.900 -0.057 0.000 1.210 366 G CA -0.335 44.354 45.100 -0.685 0.000 0.960 366 G HN 0.372 nan 8.290 nan 0.000 0.497 367 F N -0.168 119.750 119.950 -0.053 0.000 2.134 367 F HA -0.103 4.424 4.527 -0.000 0.000 0.299 367 F C 2.903 178.658 175.800 -0.074 0.000 1.097 367 F CA 0.934 58.923 58.000 -0.018 0.000 1.264 367 F CB -0.243 38.787 39.000 0.051 0.000 1.001 367 F HN 0.078 nan 8.300 nan 0.000 0.479 368 V N 0.061 120.069 119.914 0.156 0.000 2.568 368 V HA -0.303 3.817 4.120 -0.000 0.000 0.253 368 V C 1.165 177.258 176.094 -0.003 0.000 1.072 368 V CA 2.059 64.407 62.300 0.079 0.000 1.084 368 V CB -0.951 30.953 31.823 0.135 0.000 0.676 368 V HN 0.342 nan 8.190 nan 0.000 0.469 369 N N -0.646 118.031 118.700 -0.039 0.000 2.322 369 N HA 0.238 4.978 4.740 -0.000 0.000 0.194 369 N C 0.287 175.673 175.510 -0.206 0.000 1.126 369 N CA -0.016 52.987 53.050 -0.079 0.000 0.845 369 N CB -0.083 38.377 38.487 -0.045 0.000 0.976 369 N HN 0.409 nan 8.380 nan 0.000 0.475 370 I N 1.313 121.688 120.570 -0.324 0.000 2.845 370 I HA -0.144 4.026 4.170 -0.000 0.000 0.296 370 I C 1.365 177.336 176.117 -0.243 0.000 1.216 370 I CA 0.418 61.466 61.300 -0.420 0.000 1.438 370 I CB 0.699 38.381 38.000 -0.530 0.000 1.342 370 I HN 0.185 nan 8.210 nan 0.000 0.577 371 R N 4.463 124.857 120.500 -0.176 0.000 2.140 371 R HA 0.175 4.515 4.340 -0.000 0.000 0.213 371 R C 0.771 177.003 176.300 -0.114 0.000 1.059 371 R CA 0.333 56.369 56.100 -0.107 0.000 1.000 371 R CB -0.063 30.205 30.300 -0.052 0.000 0.910 371 R HN 0.736 nan 8.270 nan 0.000 0.455 372 A N 1.862 124.597 122.820 -0.143 0.000 2.445 372 A HA 0.300 4.620 4.320 -0.000 0.000 0.242 372 A C 0.699 178.122 177.584 -0.269 0.000 1.075 372 A CA -0.490 51.419 52.037 -0.213 0.000 0.777 372 A CB 0.285 19.054 19.000 -0.385 0.000 1.013 372 A HN 0.121 nan 8.150 nan 0.000 0.493 373 V N 0.126 119.913 119.914 -0.211 0.000 2.963 373 V HA 0.165 4.285 4.120 -0.000 0.000 0.306 373 V C -1.697 174.254 176.094 -0.238 0.000 1.077 373 V CA -0.899 61.290 62.300 -0.185 0.000 1.124 373 V CB -0.141 31.606 31.823 -0.127 0.000 0.987 373 V HN 0.741 nan 8.190 nan 0.000 0.487 374 P HA -0.154 nan 4.420 nan 0.000 0.217 374 P C 1.356 178.547 177.300 -0.181 0.000 1.151 374 P CA 1.706 64.696 63.100 -0.184 0.000 0.849 374 P CB 0.149 31.783 31.700 -0.109 0.000 0.787 375 E N -0.812 119.297 120.200 -0.153 0.000 2.150 375 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 375 E C 1.955 178.441 176.600 -0.190 0.000 0.985 375 E CA 1.058 57.365 56.400 -0.155 0.000 0.814 375 E CB -0.606 29.027 29.700 -0.111 0.000 0.752 375 E HN 0.350 nan 8.360 nan 0.000 0.466 376 E N 0.160 120.231 120.200 -0.216 0.000 2.076 376 E HA -0.084 4.266 4.350 -0.000 0.000 0.190 376 E C 1.831 178.234 176.600 -0.327 0.000 0.979 376 E CA 0.789 57.055 56.400 -0.223 0.000 0.807 376 E CB -0.091 29.463 29.700 -0.243 0.000 0.761 376 E HN 0.070 nan 8.360 nan 0.000 0.454 377 V N 1.106 120.695 119.914 -0.542 0.000 2.392 377 V HA -0.240 3.880 4.120 -0.000 0.000 0.249 377 V C 2.381 178.434 176.094 -0.068 0.000 1.059 377 V CA 2.102 64.066 62.300 -0.559 0.000 1.051 377 V CB -0.707 30.784 31.823 -0.552 0.000 0.658 377 V HN 0.326 nan 8.190 nan 0.000 0.455 378 E N 0.507 120.648 120.200 -0.098 0.000 2.160 378 E HA -0.208 4.142 4.350 -0.000 0.000 0.195 378 E C 1.983 178.607 176.600 0.040 0.000 0.991 378 E CA 1.466 57.857 56.400 -0.014 0.000 0.810 378 E CB -0.394 29.255 29.700 -0.086 0.000 0.742 378 E HN 0.598 nan 8.360 nan 0.000 0.466 379 L N -0.466 120.756 121.223 -0.001 0.000 2.046 379 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 379 L C 2.497 179.445 176.870 0.130 0.000 1.077 379 L CA 1.182 56.050 54.840 0.048 0.000 0.747 379 L CB -0.610 41.478 42.059 0.047 0.000 0.896 379 L HN 0.219 nan 8.230 nan 0.000 0.432 380 A N -0.006 122.961 122.820 0.245 0.000 1.897 380 A HA -0.205 4.115 4.320 -0.000 0.000 0.215 380 A C 2.404 180.160 177.584 0.286 0.000 1.181 380 A CA 1.590 53.790 52.037 0.273 0.000 0.620 380 A CB -0.356 18.933 19.000 0.482 0.000 0.821 380 A HN 0.300 nan 8.150 nan 0.000 0.443 381 K N 0.507 121.187 120.400 0.467 0.000 2.057 381 K HA -0.209 4.111 4.320 -0.000 0.000 0.207 381 K C 1.967 178.721 176.600 0.257 0.000 1.049 381 K CA 1.695 58.276 56.287 0.490 0.000 0.931 381 K CB -0.208 32.532 32.500 0.401 0.000 0.714 381 K HN 0.739 nan 8.250 nan 0.000 0.440 382 E N 0.150 120.462 120.200 0.188 0.000 2.268 382 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 382 E C 0.578 177.233 176.600 0.092 0.000 0.995 382 E CA 0.984 57.469 56.400 0.141 0.000 0.836 382 E CB 0.035 29.828 29.700 0.156 0.000 0.763 382 E HN 0.410 nan 8.360 nan 0.000 0.491 383 E N 0.829 121.069 120.200 0.067 0.000 2.403 383 E HA 0.042 4.392 4.350 -0.000 0.000 0.188 383 E C -0.440 176.148 176.600 -0.020 0.000 1.056 383 E CA -0.224 56.177 56.400 0.002 0.000 0.892 383 E CB 0.343 30.015 29.700 -0.047 0.000 1.049 383 E HN 0.078 nan 8.360 nan 0.000 0.465 384 K N -0.724 119.690 120.400 0.022 0.000 3.129 384 K HA -0.164 4.156 4.320 -0.000 0.000 0.273 384 K C -0.495 176.027 176.600 -0.131 0.000 1.123 384 K CA 0.316 56.595 56.287 -0.015 0.000 0.800 384 K CB -3.197 29.284 32.500 -0.032 0.000 1.238 384 K HN 0.257 nan 8.250 nan 0.000 0.492 385 C N 1.278 120.472 119.300 -0.175 0.000 2.644 385 C HA 0.269 4.729 4.460 -0.000 0.000 0.417 385 C C 1.320 175.968 174.990 -0.570 0.000 1.304 385 C CA -0.476 58.288 59.018 -0.423 0.000 2.035 385 C CB 0.574 28.013 27.740 -0.501 0.000 2.673 385 C HN 0.337 nan 8.230 nan 0.000 0.602 386 E N 1.253 121.086 120.200 -0.612 0.000 2.216 386 E HA 0.564 4.914 4.350 -0.000 0.000 0.279 386 E C -1.368 174.971 176.600 -0.434 0.000 0.997 386 E CA -0.261 55.905 56.400 -0.390 0.000 0.817 386 E CB 0.389 29.866 29.700 -0.372 0.000 1.096 386 E HN 0.388 nan 8.360 nan 0.000 0.393 387 F N 3.973 123.936 119.950 0.022 0.000 2.436 387 F HA 0.430 4.957 4.527 -0.000 0.000 0.340 387 F C -0.331 175.436 175.800 -0.055 0.000 1.113 387 F CA -0.844 57.157 58.000 0.002 0.000 1.022 387 F CB 0.933 40.261 39.000 0.547 0.000 1.128 387 F HN 0.222 nan 8.300 nan 0.000 0.466 388 L N 5.878 127.045 121.223 -0.092 0.000 2.353 388 L HA 0.445 4.785 4.340 -0.000 0.000 0.270 388 L C -2.473 174.347 176.870 -0.083 0.000 1.003 388 L CA -1.891 52.903 54.840 -0.077 0.000 0.862 388 L CB 1.583 43.542 42.059 -0.167 0.000 1.221 388 L HN 0.332 nan 8.230 nan 0.000 0.430 389 P HA 0.268 nan 4.420 nan 0.000 0.278 389 P C -0.179 177.256 177.300 0.225 0.000 1.266 389 P CA -0.411 62.810 63.100 0.202 0.000 0.807 389 P CB 0.719 32.575 31.700 0.258 0.000 1.094 390 F N -2.580 117.501 119.950 0.218 0.000 2.891 390 F HA -0.198 4.329 4.527 -0.000 0.000 0.272 390 F C -0.078 175.791 175.800 0.115 0.000 1.004 390 F CA 0.494 58.605 58.000 0.186 0.000 0.938 390 F CB -1.889 37.226 39.000 0.192 0.000 0.939 390 F HN 0.156 nan 8.300 nan 0.000 0.833 391 L N 0.592 121.922 121.223 0.178 0.000 2.436 391 L HA 0.637 4.977 4.340 -0.000 0.000 0.268 391 L C -0.222 176.783 176.870 0.225 0.000 0.974 391 L CA -0.542 54.362 54.840 0.108 0.000 0.826 391 L CB 2.315 44.266 42.059 -0.179 0.000 1.291 391 L HN 0.129 nan 8.230 nan 0.000 0.406 392 S N 4.889 120.785 115.700 0.327 0.000 2.605 392 S HA 0.612 5.082 4.470 -0.000 0.000 0.308 392 S C -2.679 172.162 174.600 0.402 0.000 1.113 392 S CA -1.483 56.914 58.200 0.327 0.000 1.049 392 S CB 1.567 64.877 63.200 0.185 0.000 1.001 392 S HN 0.262 nan 8.310 nan 0.000 0.480 393 P HA 0.261 nan 4.420 nan 0.000 0.268 393 P C -0.153 177.041 177.300 -0.177 0.000 1.205 393 P CA -0.227 62.786 63.100 -0.146 0.000 0.771 393 P CB 0.799 32.459 31.700 -0.067 0.000 0.858 394 R N 1.510 121.852 120.500 -0.263 0.000 2.428 394 R HA 0.229 4.569 4.340 -0.000 0.000 0.193 394 R C 0.343 176.509 176.300 -0.223 0.000 0.852 394 R CA 0.763 56.751 56.100 -0.187 0.000 1.055 394 R CB 0.508 30.753 30.300 -0.091 0.000 1.343 394 R HN 0.517 nan 8.270 nan 0.000 0.655 395 K N 0.854 121.108 120.400 -0.243 0.000 2.527 395 K HA 0.396 4.716 4.320 -0.000 0.000 0.260 395 K C -1.046 175.440 176.600 -0.191 0.000 0.937 395 K CA -0.710 55.461 56.287 -0.193 0.000 0.826 395 K CB 3.160 35.587 32.500 -0.121 0.000 1.359 395 K HN -0.248 nan 8.250 nan 0.000 0.434 396 V N 3.518 123.357 119.914 -0.125 0.000 2.313 396 V HA 0.233 4.352 4.120 -0.000 0.000 0.278 396 V C 0.064 176.121 176.094 -0.060 0.000 1.017 396 V CA -0.918 61.343 62.300 -0.066 0.000 0.823 396 V CB 0.917 32.751 31.823 0.018 0.000 1.010 396 V HN 0.565 nan 8.190 nan 0.000 0.443 397 I N 5.844 126.371 120.570 -0.071 0.000 2.505 397 I HA 0.169 4.339 4.170 -0.000 0.000 0.287 397 I C 0.129 176.237 176.117 -0.016 0.000 1.104 397 I CA 0.381 61.660 61.300 -0.034 0.000 1.387 397 I CB 0.893 38.880 38.000 -0.020 0.000 1.404 397 I HN 0.215 nan 8.210 nan 0.000 0.528 398 V N 8.173 128.082 119.914 -0.008 0.000 2.444 398 V HA 0.425 4.545 4.120 -0.000 0.000 0.294 398 V C 0.056 176.153 176.094 0.006 0.000 1.022 398 V CA -0.808 61.492 62.300 -0.000 0.000 0.850 398 V CB 1.845 33.664 31.823 -0.007 0.000 0.992 398 V HN 0.652 nan 8.190 nan 0.000 0.426 399 K N 2.647 123.054 120.400 0.013 0.000 2.427 399 K HA 0.625 4.945 4.320 -0.000 0.000 0.252 399 K C 0.655 177.263 176.600 0.014 0.000 0.931 399 K CA -0.357 55.939 56.287 0.015 0.000 0.793 399 K CB 2.091 34.605 32.500 0.022 0.000 1.211 399 K HN 0.947 nan 8.250 nan 0.000 0.426 400 G N 1.345 110.152 108.800 0.011 0.000 2.249 400 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.273 400 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.273 400 G C 0.717 175.623 174.900 0.011 0.000 1.036 400 G CA 0.737 45.844 45.100 0.011 0.000 0.824 400 G HN 1.198 nan 8.290 nan 0.000 0.504 401 G N -1.803 107.002 108.800 0.008 0.000 2.153 401 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.252 401 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.252 401 G C 0.257 175.163 174.900 0.011 0.000 0.994 401 G CA 1.183 46.287 45.100 0.007 0.000 0.698 401 G HN 1.196 nan 8.290 nan 0.000 0.521 402 R N -1.102 119.407 120.500 0.014 0.000 2.698 402 R HA 0.559 4.899 4.340 -0.000 0.000 0.275 402 R C 0.144 176.455 176.300 0.019 0.000 1.001 402 R CA -1.128 54.983 56.100 0.019 0.000 0.896 402 R CB 1.544 31.857 30.300 0.022 0.000 1.218 402 R HN 0.172 nan 8.270 nan 0.000 0.462 403 I N 2.665 123.249 120.570 0.024 0.000 2.618 403 I HA -0.053 4.117 4.170 -0.000 0.000 0.284 403 I C 1.426 177.553 176.117 0.017 0.000 1.146 403 I CA 0.203 61.516 61.300 0.021 0.000 1.425 403 I CB 0.984 39.006 38.000 0.037 0.000 1.383 403 I HN 0.547 nan 8.210 nan 0.000 0.562 404 V N 2.655 122.573 119.914 0.007 0.000 3.548 404 V HA 0.690 4.810 4.120 -0.000 0.000 0.279 404 V C 0.392 176.477 176.094 -0.015 0.000 1.446 404 V CA 0.409 62.717 62.300 0.014 0.000 1.023 404 V CB 0.100 31.945 31.823 0.037 0.000 0.820 404 V HN 0.802 nan 8.190 nan 0.000 0.438 405 A N -0.622 122.156 122.820 -0.071 0.000 2.567 405 A HA 0.754 5.074 4.320 -0.000 0.000 0.291 405 A C -1.563 175.898 177.584 -0.206 0.000 1.048 405 A CA -0.164 51.758 52.037 -0.191 0.000 0.661 405 A CB 1.509 20.240 19.000 -0.448 0.000 1.288 405 A HN 0.606 nan 8.150 nan 0.000 0.424 406 V N 1.270 121.042 119.914 -0.236 0.000 2.531 406 V HA 0.562 4.682 4.120 -0.000 0.000 0.301 406 V C -0.133 175.755 176.094 -0.342 0.000 1.034 406 V CA -0.404 61.721 62.300 -0.291 0.000 0.865 406 V CB 1.648 33.281 31.823 -0.317 0.000 0.995 406 V HN 0.930 nan 8.190 nan 0.000 0.424 407 Q N 3.471 123.059 119.800 -0.352 0.000 2.278 407 Q HA 0.635 4.975 4.340 -0.000 0.000 0.257 407 Q C -1.762 174.103 176.000 -0.226 0.000 0.928 407 Q CA -0.285 55.423 55.803 -0.159 0.000 0.932 407 Q CB 1.088 29.783 28.738 -0.072 0.000 1.221 407 Q HN 0.601 nan 8.270 nan 0.000 0.434 408 F N 1.661 121.610 119.950 -0.001 0.000 2.618 408 F HA 0.595 5.122 4.527 -0.000 0.000 0.332 408 F C -0.214 175.607 175.800 0.034 0.000 1.061 408 F CA -0.989 57.024 58.000 0.023 0.000 0.974 408 F CB 1.545 40.565 39.000 0.033 0.000 1.310 408 F HN 0.352 nan 8.300 nan 0.000 0.491 409 V N -0.528 119.548 119.914 0.271 0.000 2.680 409 V HA 0.758 4.878 4.120 -0.000 0.000 0.309 409 V C -0.545 175.659 176.094 0.183 0.000 1.052 409 V CA -1.243 61.161 62.300 0.173 0.000 0.908 409 V CB 1.538 33.433 31.823 0.120 0.000 1.001 409 V HN 0.609 nan 8.190 nan 0.000 0.431 410 R N 2.381 122.970 120.500 0.147 0.000 2.543 410 R HA 0.575 4.915 4.340 -0.000 0.000 0.277 410 R C 0.632 177.044 176.300 0.187 0.000 1.074 410 R CA 0.426 56.619 56.100 0.156 0.000 1.076 410 R CB 0.491 30.857 30.300 0.111 0.000 0.993 410 R HN 1.141 nan 8.270 nan 0.000 0.459 411 T N -1.241 113.475 114.554 0.270 0.000 2.940 411 T HA 0.734 5.084 4.350 -0.000 0.000 0.288 411 T C -0.486 174.445 174.700 0.385 0.000 1.033 411 T CA -0.942 61.361 62.100 0.340 0.000 1.033 411 T CB 1.816 70.933 68.868 0.415 0.000 1.079 411 T HN 0.680 nan 8.240 nan 0.000 0.496 412 E N 0.592 121.010 120.200 0.364 0.000 2.445 412 E HA 0.439 4.789 4.350 -0.000 0.000 0.279 412 E C -1.468 175.185 176.600 0.089 0.000 1.018 412 E CA -1.163 55.367 56.400 0.217 0.000 0.816 412 E CB 1.590 31.304 29.700 0.023 0.000 1.356 412 E HN 0.660 nan 8.360 nan 0.000 0.462 413 Q N 0.632 120.328 119.800 -0.174 0.000 2.342 413 Q HA 0.266 4.606 4.340 -0.000 0.000 0.267 413 Q C -1.296 174.546 176.000 -0.264 0.000 1.038 413 Q CA -0.651 54.866 55.803 -0.476 0.000 0.832 413 Q CB 1.572 29.820 28.738 -0.817 0.000 1.323 413 Q HN 0.634 nan 8.270 nan 0.000 0.448 414 D N 0.420 120.679 120.400 -0.235 0.000 2.624 414 D HA 0.097 4.737 4.640 -0.000 0.000 0.257 414 D C 0.491 176.716 176.300 -0.124 0.000 1.167 414 D CA -0.287 53.631 54.000 -0.138 0.000 1.086 414 D CB 0.172 40.919 40.800 -0.089 0.000 1.210 414 D HN 0.539 nan 8.370 nan 0.000 0.631 415 E N -0.552 119.599 120.200 -0.080 0.000 2.055 415 E HA -0.226 4.124 4.350 -0.000 0.000 0.209 415 E C 1.107 177.669 176.600 -0.065 0.000 1.036 415 E CA 2.154 58.517 56.400 -0.061 0.000 0.849 415 E CB -0.471 29.204 29.700 -0.041 0.000 0.767 415 E HN 0.617 nan 8.360 nan 0.000 0.461 416 T N -1.488 113.028 114.554 -0.062 0.000 3.268 416 T HA 0.410 4.760 4.350 -0.000 0.000 0.244 416 T C 1.008 175.659 174.700 -0.081 0.000 0.915 416 T CA 0.416 62.485 62.100 -0.052 0.000 0.935 416 T CB -0.116 68.736 68.868 -0.026 0.000 1.110 416 T HN 0.426 nan 8.240 nan 0.000 0.573 417 G N 2.383 111.096 108.800 -0.144 0.000 4.148 417 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.221 417 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.221 417 G C 0.169 174.845 174.900 -0.374 0.000 1.373 417 G CA 0.136 45.084 45.100 -0.254 0.000 0.940 417 G HN 0.845 nan 8.290 nan 0.000 0.610 418 K N 0.230 120.524 120.400 -0.177 0.000 2.371 418 K HA -0.158 4.162 4.320 -0.000 0.000 0.242 418 K C -0.549 175.958 176.600 -0.155 0.000 1.060 418 K CA 1.280 57.512 56.287 -0.092 0.000 1.136 418 K CB -0.220 32.260 32.500 -0.034 0.000 0.721 418 K HN 0.450 nan 8.250 nan 0.000 0.481 419 W N 3.636 124.972 121.300 0.060 0.000 2.332 419 W HA 0.210 4.870 4.660 -0.000 0.000 0.306 419 W C 0.517 177.076 176.519 0.066 0.000 1.149 419 W CA -0.600 56.792 57.345 0.077 0.000 1.271 419 W CB 0.559 30.070 29.460 0.086 0.000 1.243 419 W HN 0.404 nan 8.180 nan 0.000 0.459 420 N N 2.659 121.514 118.700 0.258 0.000 2.443 420 N HA 0.379 5.118 4.740 -0.000 0.000 0.293 420 N C -0.835 174.789 175.510 0.190 0.000 1.159 420 N CA -0.866 52.288 53.050 0.173 0.000 0.904 420 N CB 1.669 40.213 38.487 0.094 0.000 1.214 420 N HN 0.442 nan 8.380 nan 0.000 0.513 421 E N 0.337 120.619 120.200 0.137 0.000 2.187 421 E HA 0.259 4.609 4.350 -0.000 0.000 0.268 421 E C -1.256 175.400 176.600 0.094 0.000 0.896 421 E CA -0.700 55.778 56.400 0.129 0.000 0.766 421 E CB 1.628 31.394 29.700 0.109 0.000 1.142 421 E HN 0.326 nan 8.360 nan 0.000 0.408 422 D N 3.774 124.230 120.400 0.094 0.000 2.428 422 D HA 0.039 4.678 4.640 -0.000 0.000 0.221 422 D C 0.634 176.971 176.300 0.062 0.000 1.123 422 D CA -0.174 53.866 54.000 0.067 0.000 0.869 422 D CB 1.132 41.967 40.800 0.059 0.000 1.032 422 D HN 0.382 nan 8.370 nan 0.000 0.506 423 E N 1.398 121.628 120.200 0.049 0.000 2.153 423 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 423 E C 1.270 177.893 176.600 0.038 0.000 0.988 423 E CA 0.922 57.347 56.400 0.042 0.000 0.811 423 E CB 0.124 29.842 29.700 0.029 0.000 0.746 423 E HN 0.608 nan 8.360 nan 0.000 0.466 424 D N 0.259 120.679 120.400 0.034 0.000 2.355 424 D HA -0.121 4.519 4.640 -0.000 0.000 0.218 424 D C 0.126 176.446 176.300 0.034 0.000 1.004 424 D CA 0.214 54.231 54.000 0.029 0.000 0.880 424 D CB -0.063 40.750 40.800 0.021 0.000 0.911 424 D HN 0.150 nan 8.370 nan 0.000 0.528 425 Q N 1.149 120.976 119.800 0.044 0.000 2.462 425 Q HA 0.464 4.804 4.340 -0.000 0.000 0.247 425 Q C -0.084 175.958 176.000 0.070 0.000 1.044 425 Q CA -0.450 55.382 55.803 0.049 0.000 0.803 425 Q CB 1.840 30.605 28.738 0.045 0.000 1.190 425 Q HN 0.405 nan 8.270 nan 0.000 0.507 426 I N -1.834 118.779 120.570 0.072 0.000 3.023 426 I HA 0.840 5.010 4.170 -0.000 0.000 0.312 426 I C -0.793 175.390 176.117 0.109 0.000 1.056 426 I CA -1.342 60.017 61.300 0.099 0.000 1.033 426 I CB 1.889 39.944 38.000 0.092 0.000 1.233 426 I HN 0.094 nan 8.210 nan 0.000 0.462 427 V N 2.371 122.378 119.914 0.155 0.000 2.686 427 V HA 0.322 4.441 4.120 -0.000 0.000 0.306 427 V C -0.900 175.330 176.094 0.225 0.000 1.065 427 V CA -0.431 61.961 62.300 0.154 0.000 0.894 427 V CB 1.616 33.494 31.823 0.092 0.000 1.004 427 V HN 0.798 nan 8.190 nan 0.000 0.424 428 H N 5.567 124.686 119.070 0.081 0.000 2.683 428 H HA 0.427 4.983 4.556 -0.000 0.000 0.270 428 H C -1.357 173.994 175.328 0.039 0.000 1.201 428 H CA -0.595 55.494 56.048 0.068 0.000 1.277 428 H CB 1.439 31.220 29.762 0.031 0.000 1.400 428 H HN 0.487 nan 8.280 nan 0.000 0.504 429 L N 5.462 126.668 121.223 -0.029 0.000 2.260 429 L HA 0.275 4.615 4.340 -0.000 0.000 0.289 429 L C -0.167 176.610 176.870 -0.154 0.000 1.057 429 L CA -0.362 54.422 54.840 -0.092 0.000 0.811 429 L CB 0.542 42.539 42.059 -0.104 0.000 1.184 429 L HN 0.421 nan 8.230 nan 0.000 0.429 430 K N 4.355 124.700 120.400 -0.093 0.000 2.401 430 K HA 0.614 4.934 4.320 -0.000 0.000 0.278 430 K C -0.513 176.048 176.600 -0.064 0.000 1.018 430 K CA 0.182 56.442 56.287 -0.045 0.000 0.981 430 K CB 0.648 33.169 32.500 0.035 0.000 0.933 430 K HN 0.776 nan 8.250 nan 0.000 0.477 431 A N 2.151 124.956 122.820 -0.025 0.000 2.599 431 A HA 0.235 4.555 4.320 -0.000 0.000 0.294 431 A C -0.814 176.780 177.584 0.018 0.000 1.055 431 A CA -0.803 51.237 52.037 0.005 0.000 0.683 431 A CB 1.158 20.155 19.000 -0.005 0.000 1.278 431 A HN 0.777 nan 8.150 nan 0.000 0.412 432 D N -0.322 120.096 120.400 0.030 0.000 2.423 432 D HA 0.248 4.888 4.640 -0.000 0.000 0.212 432 D C -0.124 176.196 176.300 0.034 0.000 1.060 432 D CA 0.943 54.962 54.000 0.031 0.000 0.872 432 D CB 1.178 41.999 40.800 0.034 0.000 1.012 432 D HN 0.230 nan 8.370 nan 0.000 0.503 433 V N 1.491 121.416 119.914 0.018 0.000 2.841 433 V HA 0.350 4.470 4.120 -0.000 0.000 0.310 433 V C -0.482 175.594 176.094 -0.030 0.000 1.090 433 V CA -0.784 61.520 62.300 0.008 0.000 0.930 433 V CB 3.027 34.825 31.823 -0.043 0.000 1.014 433 V HN -0.235 nan 8.190 nan 0.000 0.425 434 V N 5.523 125.421 119.914 -0.028 0.000 2.531 434 V HA 0.571 4.691 4.120 -0.000 0.000 0.301 434 V C -0.621 175.300 176.094 -0.289 0.000 1.034 434 V CA -0.364 61.883 62.300 -0.088 0.000 0.865 434 V CB 1.916 33.760 31.823 0.034 0.000 0.995 434 V HN 0.702 nan 8.190 nan 0.000 0.424 435 I N 4.102 124.450 120.570 -0.371 0.000 2.411 435 I HA 0.381 4.551 4.170 -0.000 0.000 0.284 435 I C 0.295 176.131 176.117 -0.468 0.000 1.012 435 I CA -0.374 60.626 61.300 -0.500 0.000 1.119 435 I CB 2.136 39.822 38.000 -0.523 0.000 1.261 435 I HN 0.677 nan 8.210 nan 0.000 0.448 436 S N 4.727 120.094 115.700 -0.554 0.000 2.489 436 S HA 0.665 5.135 4.470 -0.000 0.000 0.277 436 S C 0.238 174.576 174.600 -0.436 0.000 1.230 436 S CA -0.506 57.362 58.200 -0.554 0.000 1.053 436 S CB 1.581 64.592 63.200 -0.315 0.000 0.955 436 S HN 0.736 nan 8.310 nan 0.000 0.488 437 A N 3.433 125.937 122.820 -0.526 0.000 3.129 437 A HA 0.538 4.858 4.320 -0.000 0.000 0.282 437 A C 0.183 177.681 177.584 -0.142 0.000 0.948 437 A CA -0.734 51.162 52.037 -0.235 0.000 1.027 437 A CB -0.679 18.233 19.000 -0.147 0.000 1.123 437 A HN 0.852 nan 8.150 nan 0.000 0.485 438 F N 0.413 120.420 119.950 0.095 0.000 2.558 438 F HA 0.310 4.837 4.527 -0.000 0.000 0.298 438 F C 1.721 177.570 175.800 0.081 0.000 1.119 438 F CA 1.184 59.243 58.000 0.098 0.000 1.451 438 F CB 0.357 39.431 39.000 0.123 0.000 1.091 438 F HN 0.598 nan 8.300 nan 0.000 0.563 439 G N -0.472 108.463 108.800 0.224 0.000 2.298 439 G HA2 0.132 4.092 3.960 -0.000 0.000 0.309 439 G HA3 0.132 4.092 3.960 -0.000 0.000 0.309 439 G C -1.178 173.809 174.900 0.145 0.000 1.279 439 G CA -0.662 44.533 45.100 0.158 0.000 1.042 439 G HN 0.039 nan 8.290 nan 0.000 0.480 440 S N -1.511 114.259 115.700 0.117 0.000 2.667 440 S HA 0.941 5.411 4.470 -0.000 0.000 0.292 440 S C -0.117 174.542 174.600 0.100 0.000 1.126 440 S CA -0.022 58.242 58.200 0.107 0.000 0.881 440 S CB 1.871 65.124 63.200 0.087 0.000 1.132 440 S HN 2.133 nan 8.310 nan 0.000 0.492 441 V N -1.112 118.860 119.914 0.096 0.000 3.203 441 V HA 0.818 4.938 4.120 -0.000 0.000 0.305 441 V C -1.992 174.154 176.094 0.086 0.000 1.361 441 V CA -1.063 61.293 62.300 0.094 0.000 1.066 441 V CB 1.673 33.556 31.823 0.100 0.000 1.085 441 V HN 0.716 nan 8.190 nan 0.000 0.456 442 L N 1.281 122.559 121.223 0.092 0.000 2.316 442 L HA 0.752 5.092 4.340 -0.000 0.000 0.280 442 L C 0.446 177.364 176.870 0.081 0.000 1.006 442 L CA 0.183 55.076 54.840 0.089 0.000 0.836 442 L CB 1.152 43.278 42.059 0.111 0.000 1.221 442 L HN 0.911 nan 8.230 nan 0.000 0.418 443 R N 1.770 122.305 120.500 0.060 0.000 2.507 443 R HA 0.173 4.513 4.340 -0.000 0.000 0.230 443 R C -0.204 176.107 176.300 0.018 0.000 0.897 443 R CA -0.355 55.769 56.100 0.039 0.000 1.006 443 R CB 0.396 30.723 30.300 0.044 0.000 1.341 443 R HN 0.709 nan 8.270 nan 0.000 0.604 444 D N 2.265 122.680 120.400 0.025 0.000 2.554 444 D HA -0.042 4.598 4.640 -0.000 0.000 0.251 444 D C -1.724 174.571 176.300 -0.008 0.000 1.213 444 D CA -1.064 52.944 54.000 0.012 0.000 0.900 444 D CB 1.544 42.355 40.800 0.019 0.000 1.135 444 D HN 0.102 nan 8.370 nan 0.000 0.522 445 P HA -0.129 nan 4.420 nan 0.000 0.218 445 P C 1.057 178.332 177.300 -0.042 0.000 1.148 445 P CA 1.277 64.349 63.100 -0.046 0.000 0.822 445 P CB 0.270 31.945 31.700 -0.040 0.000 0.784 446 K N -0.751 119.635 120.400 -0.022 0.000 2.148 446 K HA -0.053 4.267 4.320 -0.000 0.000 0.204 446 K C 1.862 178.455 176.600 -0.013 0.000 1.050 446 K CA 1.080 57.357 56.287 -0.017 0.000 0.942 446 K CB -0.632 31.862 32.500 -0.009 0.000 0.724 446 K HN 0.050 nan 8.250 nan 0.000 0.446 447 V N 1.716 121.628 119.914 -0.004 0.000 2.407 447 V HA -0.192 3.928 4.120 -0.000 0.000 0.245 447 V C 1.940 178.046 176.094 0.021 0.000 1.041 447 V CA 1.559 63.865 62.300 0.010 0.000 1.040 447 V CB -0.313 31.524 31.823 0.024 0.000 0.671 447 V HN 0.253 nan 8.190 nan 0.000 0.455 448 K N 0.219 120.616 120.400 -0.005 0.000 2.057 448 K HA -0.238 4.082 4.320 -0.000 0.000 0.207 448 K C 2.189 178.747 176.600 -0.070 0.000 1.049 448 K CA 1.805 58.060 56.287 -0.054 0.000 0.931 448 K CB -0.174 32.183 32.500 -0.237 0.000 0.714 448 K HN 0.537 nan 8.250 nan 0.000 0.440 449 E N 0.866 121.025 120.200 -0.068 0.000 2.204 449 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 449 E C 1.752 178.347 176.600 -0.009 0.000 0.989 449 E CA 0.829 57.200 56.400 -0.049 0.000 0.824 449 E CB 0.005 29.679 29.700 -0.044 0.000 0.756 449 E HN 0.326 nan 8.360 nan 0.000 0.477 450 A N 0.545 123.366 122.820 0.001 0.000 2.121 450 A HA -0.048 4.272 4.320 -0.000 0.000 0.218 450 A C 1.859 179.455 177.584 0.019 0.000 1.154 450 A CA 0.622 52.663 52.037 0.006 0.000 0.679 450 A CB -0.239 18.758 19.000 -0.004 0.000 0.795 450 A HN 0.319 nan 8.150 nan 0.000 0.458 451 L N -0.155 121.099 121.223 0.051 0.000 2.611 451 L HA 0.107 4.447 4.340 -0.000 0.000 0.229 451 L C 1.119 178.041 176.870 0.086 0.000 1.137 451 L CA -0.266 54.617 54.840 0.071 0.000 0.901 451 L CB -0.017 42.150 42.059 0.181 0.000 1.098 451 L HN 0.313 nan 8.230 nan 0.000 0.456 452 S N 1.813 117.552 115.700 0.064 0.000 2.560 452 S HA 0.118 4.588 4.470 -0.000 0.000 0.284 452 S C -1.657 172.981 174.600 0.063 0.000 1.327 452 S CA -0.780 57.456 58.200 0.059 0.000 1.055 452 S CB 0.600 63.820 63.200 0.033 0.000 0.868 452 S HN 0.092 nan 8.310 nan 0.000 0.506 453 P HA 0.261 nan 4.420 nan 0.000 0.270 453 P C 0.171 177.506 177.300 0.059 0.000 1.754 453 P CA -0.382 62.753 63.100 0.059 0.000 1.202 453 P CB -0.628 31.104 31.700 0.052 0.000 1.592 454 I N -2.186 118.413 120.570 0.049 0.000 2.813 454 I HA 0.193 4.363 4.170 -0.000 0.000 0.287 454 I C -0.016 176.162 176.117 0.102 0.000 1.196 454 I CA -0.359 60.939 61.300 -0.003 0.000 1.421 454 I CB 0.425 38.349 38.000 -0.127 0.000 1.365 454 I HN -0.206 nan 8.210 nan 0.000 0.591 455 K N 4.575 124.988 120.400 0.023 0.000 2.326 455 K HA 0.390 4.710 4.320 -0.000 0.000 0.275 455 K C -1.112 175.527 176.600 0.066 0.000 1.018 455 K CA -0.104 56.233 56.287 0.084 0.000 0.962 455 K CB 0.650 33.158 32.500 0.014 0.000 0.953 455 K HN 0.360 nan 8.250 nan 0.000 0.475 456 F N 1.797 121.734 119.950 -0.022 0.000 2.492 456 F HA 0.214 4.741 4.527 -0.000 0.000 0.327 456 F C 0.690 176.502 175.800 0.020 0.000 1.079 456 F CA -0.955 57.043 58.000 -0.003 0.000 0.967 456 F CB 1.266 40.264 39.000 -0.003 0.000 1.169 456 F HN 0.602 nan 8.300 nan 0.000 0.472 457 N N 0.955 119.770 118.700 0.192 0.000 2.495 457 N HA 0.330 5.069 4.740 -0.000 0.000 0.294 457 N C 0.679 176.282 175.510 0.155 0.000 1.276 457 N CA -0.605 52.557 53.050 0.186 0.000 0.973 457 N CB 0.420 39.073 38.487 0.276 0.000 1.143 457 N HN 0.470 nan 8.380 nan 0.000 0.589 458 R N -1.215 119.298 120.500 0.022 0.000 2.117 458 R HA -0.073 4.267 4.340 -0.000 0.000 0.243 458 R C 0.885 177.022 176.300 -0.270 0.000 1.143 458 R CA 1.502 57.439 56.100 -0.271 0.000 0.968 458 R CB -0.253 29.595 30.300 -0.753 0.000 0.863 458 R HN 0.633 nan 8.270 nan 0.000 0.444 459 W N 1.055 122.380 121.300 0.042 0.000 3.204 459 W HA -0.003 4.657 4.660 -0.000 0.000 0.249 459 W C 0.024 176.591 176.519 0.079 0.000 1.322 459 W CA 0.041 57.413 57.345 0.045 0.000 1.593 459 W CB -0.359 29.119 29.460 0.030 0.000 1.122 459 W HN 0.231 nan 8.180 nan 0.000 0.710 460 D N 0.614 121.173 120.400 0.264 0.000 2.772 460 D HA -0.189 4.451 4.640 -0.000 0.000 0.233 460 D C -0.572 176.021 176.300 0.490 0.000 1.143 460 D CA 0.791 54.975 54.000 0.306 0.000 0.700 460 D CB -1.285 39.607 40.800 0.154 0.000 1.076 460 D HN 0.054 nan 8.370 nan 0.000 0.430 461 L N -0.920 120.530 121.223 0.379 0.000 2.341 461 L HA 0.612 4.952 4.340 -0.000 0.000 0.267 461 L C -2.050 174.611 176.870 -0.349 0.000 1.009 461 L CA -2.381 52.531 54.840 0.119 0.000 0.819 461 L CB 1.947 44.047 42.059 0.069 0.000 1.323 461 L HN -0.226 nan 8.230 nan 0.000 0.425 462 P HA -0.026 nan 4.420 nan 0.000 0.263 462 P C -0.965 176.071 177.300 -0.440 0.000 1.195 462 P CA 0.177 62.730 63.100 -0.912 0.000 0.762 462 P CB 0.403 31.704 31.700 -0.665 0.000 0.799 463 E N 2.950 122.938 120.200 -0.354 0.000 2.259 463 E HA 0.378 4.728 4.350 -0.000 0.000 0.281 463 E C -0.641 175.840 176.600 -0.198 0.000 1.027 463 E CA -0.773 55.515 56.400 -0.187 0.000 0.838 463 E CB 0.554 30.193 29.700 -0.102 0.000 1.066 463 E HN 0.251 nan 8.360 nan 0.000 0.401 464 V N 1.177 120.996 119.914 -0.158 0.000 3.078 464 V HA 0.400 4.520 4.120 -0.000 0.000 0.311 464 V C -0.477 175.543 176.094 -0.123 0.000 1.138 464 V CA -1.210 60.993 62.300 -0.162 0.000 1.007 464 V CB 1.820 33.553 31.823 -0.150 0.000 1.045 464 V HN 0.731 nan 8.190 nan 0.000 0.432 465 D N 2.962 123.281 120.400 -0.135 0.000 2.371 465 D HA 0.311 4.951 4.640 -0.000 0.000 0.256 465 D C -1.778 174.465 176.300 -0.096 0.000 1.193 465 D CA -1.452 52.479 54.000 -0.115 0.000 0.881 465 D CB 2.151 42.865 40.800 -0.144 0.000 1.143 465 D HN 0.414 nan 8.370 nan 0.000 0.473 466 P HA -0.130 nan 4.420 nan 0.000 0.221 466 P C 0.791 178.059 177.300 -0.053 0.000 1.145 466 P CA 0.944 64.010 63.100 -0.057 0.000 0.795 466 P CB 0.430 32.100 31.700 -0.050 0.000 0.775 467 E N -0.727 119.419 120.200 -0.090 0.000 2.166 467 E HA -0.067 4.283 4.350 -0.000 0.000 0.192 467 E C 1.706 178.155 176.600 -0.252 0.000 0.967 467 E CA 1.496 57.829 56.400 -0.111 0.000 0.840 467 E CB -0.897 28.735 29.700 -0.112 0.000 0.795 467 E HN 0.175 nan 8.360 nan 0.000 0.470 468 T N -2.441 111.887 114.554 -0.377 0.000 3.014 468 T HA 0.157 4.507 4.350 -0.000 0.000 0.250 468 T C 0.798 175.526 174.700 0.047 0.000 1.060 468 T CA 0.439 62.205 62.100 -0.556 0.000 1.040 468 T CB 0.126 68.643 68.868 -0.584 0.000 0.971 468 T HN 0.096 nan 8.240 nan 0.000 0.497 469 M N -0.089 119.531 119.600 0.033 0.000 2.899 469 M HA -0.154 4.326 4.480 -0.000 0.000 0.195 469 M C 0.025 176.368 176.300 0.071 0.000 0.603 469 M CA 0.511 55.891 55.300 0.133 0.000 0.712 469 M CB -2.860 29.929 32.600 0.314 0.000 2.569 469 M HN 0.666 nan 8.290 nan 0.000 0.406 470 Q N 1.559 121.243 119.800 -0.193 0.000 2.261 470 Q HA 0.458 4.797 4.340 -0.000 0.000 0.252 470 Q C 0.824 176.537 176.000 -0.479 0.000 0.915 470 Q CA 0.365 55.737 55.803 -0.718 0.000 0.915 470 Q CB 1.337 29.623 28.738 -0.753 0.000 1.204 470 Q HN 0.459 nan 8.270 nan 0.000 0.421 471 T N -0.616 113.616 114.554 -0.537 0.000 2.793 471 T HA 0.115 4.465 4.350 -0.000 0.000 0.299 471 T C 1.315 175.823 174.700 -0.320 0.000 1.038 471 T CA 0.014 61.888 62.100 -0.377 0.000 0.948 471 T CB 0.578 69.215 68.868 -0.385 0.000 1.231 471 T HN 0.703 nan 8.240 nan 0.000 0.538 472 S N -0.756 114.805 115.700 -0.232 0.000 2.447 472 S HA -0.020 4.450 4.470 -0.000 0.000 0.233 472 S C 0.516 175.025 174.600 -0.153 0.000 1.006 472 S CA 0.316 58.422 58.200 -0.157 0.000 0.957 472 S CB -0.474 62.669 63.200 -0.095 0.000 0.773 472 S HN 0.691 nan 8.310 nan 0.000 0.507 473 E N 2.660 122.728 120.200 -0.220 0.000 2.115 473 E HA 0.251 4.601 4.350 -0.000 0.000 0.282 473 E C -1.773 174.641 176.600 -0.310 0.000 0.987 473 E CA -2.697 53.592 56.400 -0.184 0.000 0.797 473 E CB 1.440 30.997 29.700 -0.238 0.000 1.086 473 E HN 0.217 nan 8.360 nan 0.000 0.397 474 P HA -0.154 nan 4.420 nan 0.000 0.218 474 P C 1.079 177.987 177.300 -0.654 0.000 1.146 474 P CA 1.324 64.235 63.100 -0.315 0.000 0.813 474 P CB -0.018 31.663 31.700 -0.031 0.000 0.778 475 W N -0.064 120.878 121.300 -0.597 0.000 3.290 475 W HA 0.355 5.015 4.660 -0.000 0.000 0.287 475 W C -0.756 175.691 176.519 -0.120 0.000 1.288 475 W CA -0.122 56.893 57.345 -0.549 0.000 1.725 475 W CB -0.594 28.794 29.460 -0.120 0.000 1.103 475 W HN -0.335 nan 8.180 nan 0.000 0.670 476 V N 2.595 122.071 119.914 -0.729 0.000 2.448 476 V HA 0.440 4.560 4.120 -0.000 0.000 0.295 476 V C -0.830 174.959 176.094 -0.508 0.000 1.025 476 V CA -0.460 61.458 62.300 -0.637 0.000 0.859 476 V CB 1.097 32.375 31.823 -0.907 0.000 0.988 476 V HN -0.177 nan 8.190 nan 0.000 0.431 477 F N 1.958 121.761 119.950 -0.244 0.000 2.618 477 F HA 0.942 5.468 4.527 -0.000 0.000 0.332 477 F C 0.378 175.997 175.800 -0.302 0.000 1.061 477 F CA -0.750 57.167 58.000 -0.137 0.000 0.974 477 F CB 2.096 41.160 39.000 0.107 0.000 1.310 477 F HN 0.616 nan 8.300 nan 0.000 0.491 478 A N 0.046 122.786 122.820 -0.133 0.000 2.594 478 A HA 0.916 5.236 4.320 -0.000 0.000 0.295 478 A C -0.879 176.548 177.584 -0.261 0.000 1.071 478 A CA -0.172 51.572 52.037 -0.489 0.000 0.685 478 A CB 1.720 20.498 19.000 -0.370 0.000 1.285 478 A HN 1.283 nan 8.150 nan 0.000 0.405 479 G N -1.140 107.445 108.800 -0.359 0.000 2.576 479 G HA2 0.852 4.812 3.960 -0.000 0.000 0.290 479 G HA3 0.852 4.812 3.960 -0.000 0.000 0.290 479 G C 0.140 175.083 174.900 0.071 0.000 1.442 479 G CA 0.642 45.788 45.100 0.077 0.000 0.792 479 G HN 2.671 nan 8.290 nan 0.000 0.491 480 G N 0.106 108.965 108.800 0.098 0.000 2.587 480 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.212 480 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.212 480 G C 0.486 175.395 174.900 0.015 0.000 1.327 480 G CA 0.660 45.803 45.100 0.072 0.000 0.898 480 G HN 0.816 nan 8.290 nan 0.000 0.551 481 D N -0.545 119.866 120.400 0.018 0.000 2.190 481 D HA -0.095 4.545 4.640 -0.000 0.000 0.200 481 D C 2.412 178.702 176.300 -0.016 0.000 0.992 481 D CA 1.407 55.410 54.000 0.003 0.000 0.854 481 D CB -0.106 40.706 40.800 0.021 0.000 0.936 481 D HN 0.458 nan 8.370 nan 0.000 0.462 482 I N 0.237 120.790 120.570 -0.029 0.000 2.423 482 I HA -0.214 3.956 4.170 -0.000 0.000 0.254 482 I C 1.866 177.932 176.117 -0.084 0.000 1.151 482 I CA 0.913 62.181 61.300 -0.054 0.000 1.421 482 I CB 0.104 38.048 38.000 -0.093 0.000 1.079 482 I HN -0.158 nan 8.210 nan 0.000 0.431 483 V N 0.961 120.821 119.914 -0.091 0.000 2.871 483 V HA 0.118 4.238 4.120 -0.000 0.000 0.256 483 V C 1.911 177.937 176.094 -0.114 0.000 1.082 483 V CA 1.001 63.234 62.300 -0.111 0.000 1.105 483 V CB -1.301 30.465 31.823 -0.094 0.000 0.713 483 V HN 0.675 nan 8.190 nan 0.000 0.473 484 G N 0.057 108.800 108.800 -0.095 0.000 2.153 484 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.252 484 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.252 484 G C 0.746 175.540 174.900 -0.177 0.000 0.994 484 G CA 0.893 45.918 45.100 -0.126 0.000 0.698 484 G HN 0.461 nan 8.290 nan 0.000 0.521 485 M N -0.560 118.958 119.600 -0.137 0.000 2.447 485 M HA 0.594 5.074 4.480 -0.000 0.000 0.266 485 M C 1.161 177.402 176.300 -0.098 0.000 1.120 485 M CA 1.835 57.052 55.300 -0.138 0.000 1.166 485 M CB 0.245 32.781 32.600 -0.106 0.000 1.349 485 M HN 0.896 nan 8.290 nan 0.000 0.463 486 A N 0.228 123.008 122.820 -0.065 0.000 2.569 486 A HA 0.646 4.966 4.320 -0.000 0.000 0.290 486 A C -1.198 176.370 177.584 -0.026 0.000 1.136 486 A CA -0.782 51.229 52.037 -0.043 0.000 0.710 486 A CB 0.997 19.979 19.000 -0.030 0.000 1.303 486 A HN 0.431 nan 8.150 nan 0.000 0.413 487 N N 0.432 119.122 118.700 -0.017 0.000 2.646 487 N HA 0.379 5.119 4.740 -0.000 0.000 0.303 487 N C -0.982 174.529 175.510 0.001 0.000 1.921 487 N CA 0.166 53.214 53.050 -0.003 0.000 0.872 487 N CB 1.582 40.070 38.487 0.002 0.000 1.327 487 N HN 0.813 nan 8.380 nan 0.000 0.492 488 T N -4.516 110.039 114.554 0.001 0.000 2.903 488 T HA 0.346 4.696 4.350 -0.000 0.000 0.299 488 T C 0.985 175.690 174.700 0.008 0.000 1.093 488 T CA -0.602 61.499 62.100 0.001 0.000 1.002 488 T CB 1.634 70.498 68.868 -0.007 0.000 1.127 488 T HN -0.081 nan 8.240 nan 0.000 0.488 489 T N 1.229 115.786 114.554 0.006 0.000 2.708 489 T HA -0.120 4.229 4.350 -0.000 0.000 0.266 489 T C 2.020 176.723 174.700 0.004 0.000 1.037 489 T CA 1.448 63.553 62.100 0.008 0.000 1.146 489 T CB -0.324 68.544 68.868 0.000 0.000 0.865 489 T HN 0.534 nan 8.240 nan 0.000 0.435 490 V N 1.315 121.226 119.914 -0.006 0.000 2.407 490 V HA -0.160 3.960 4.120 -0.000 0.000 0.248 490 V C 2.290 178.387 176.094 0.004 0.000 1.055 490 V CA 1.890 64.184 62.300 -0.009 0.000 1.049 490 V CB -0.407 31.406 31.823 -0.016 0.000 0.662 490 V HN 0.531 nan 8.190 nan 0.000 0.455 491 E N -0.425 119.779 120.200 0.007 0.000 2.152 491 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 491 E C 2.351 178.968 176.600 0.028 0.000 0.983 491 E CA 1.297 57.703 56.400 0.011 0.000 0.818 491 E CB -0.091 29.611 29.700 0.002 0.000 0.758 491 E HN 0.596 nan 8.360 nan 0.000 0.467 492 S N 0.331 116.052 115.700 0.036 0.000 2.368 492 S HA -0.105 4.365 4.470 -0.000 0.000 0.224 492 S C 2.185 176.830 174.600 0.076 0.000 1.029 492 S CA 0.650 58.889 58.200 0.065 0.000 0.988 492 S CB -0.055 63.184 63.200 0.065 0.000 0.838 492 S HN 0.056 nan 8.310 nan 0.000 0.462 493 V N 2.715 122.659 119.914 0.050 0.000 2.343 493 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 493 V C 2.292 178.416 176.094 0.050 0.000 1.051 493 V CA 1.975 64.306 62.300 0.051 0.000 1.036 493 V CB -0.862 30.977 31.823 0.026 0.000 0.654 493 V HN 0.459 nan 8.190 nan 0.000 0.451 494 N N 0.220 118.938 118.700 0.030 0.000 2.188 494 N HA -0.170 4.570 4.740 -0.000 0.000 0.184 494 N C 1.468 176.987 175.510 0.015 0.000 1.018 494 N CA 1.436 54.489 53.050 0.005 0.000 0.858 494 N CB -0.206 38.283 38.487 0.004 0.000 0.989 494 N HN 0.422 nan 8.380 nan 0.000 0.426 495 D N -0.813 119.622 120.400 0.058 0.000 2.117 495 D HA -0.065 4.575 4.640 -0.000 0.000 0.197 495 D C 1.822 178.199 176.300 0.128 0.000 0.987 495 D CA 1.370 55.438 54.000 0.112 0.000 0.829 495 D CB -0.810 40.082 40.800 0.155 0.000 0.961 495 D HN 0.450 nan 8.370 nan 0.000 0.460 496 G N 0.568 109.407 108.800 0.065 0.000 2.408 496 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 496 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 496 G C 1.548 176.363 174.900 -0.142 0.000 1.150 496 G CA 0.814 45.816 45.100 -0.163 0.000 0.776 496 G HN 0.267 nan 8.290 nan 0.000 0.542 497 K N -0.192 120.144 120.400 -0.106 0.000 2.025 497 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 497 K C 2.529 178.979 176.600 -0.250 0.000 1.049 497 K CA 1.634 57.696 56.287 -0.376 0.000 0.933 497 K CB -0.169 32.040 32.500 -0.484 0.000 0.714 497 K HN 0.268 nan 8.250 nan 0.000 0.438 498 Q N 0.485 120.239 119.800 -0.077 0.000 2.061 498 Q HA -0.111 4.229 4.340 -0.000 0.000 0.204 498 Q C 1.772 177.902 176.000 0.218 0.000 0.984 498 Q CA 2.160 58.013 55.803 0.082 0.000 0.846 498 Q CB -0.389 28.417 28.738 0.113 0.000 0.902 498 Q HN 0.429 nan 8.270 nan 0.000 0.421 499 A N -0.174 122.740 122.820 0.158 0.000 1.933 499 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 499 A C 2.247 179.810 177.584 -0.036 0.000 1.175 499 A CA 2.006 54.144 52.037 0.168 0.000 0.628 499 A CB -1.117 18.029 19.000 0.243 0.000 0.814 499 A HN 0.607 nan 8.150 nan 0.000 0.444 500 S N -1.283 114.370 115.700 -0.079 0.000 2.374 500 S HA -0.258 4.212 4.470 -0.000 0.000 0.227 500 S C 1.936 176.531 174.600 -0.008 0.000 1.037 500 S CA 1.366 59.516 58.200 -0.083 0.000 1.024 500 S CB -0.900 62.307 63.200 0.012 0.000 0.861 500 S HN 0.764 nan 8.310 nan 0.000 0.456 501 W N 1.168 122.394 121.300 -0.124 0.000 2.381 501 W HA -0.148 4.512 4.660 -0.000 0.000 0.301 501 W C 1.534 177.930 176.519 -0.205 0.000 1.205 501 W CA 1.168 58.415 57.345 -0.163 0.000 1.285 501 W CB -0.349 28.919 29.460 -0.320 0.000 1.133 501 W HN 0.400 nan 8.180 nan 0.000 0.521 502 Y N 0.300 120.589 120.300 -0.018 0.000 2.457 502 Y HA -0.091 4.459 4.550 -0.000 0.000 0.292 502 Y C 2.468 178.243 175.900 -0.208 0.000 1.125 502 Y CA 1.171 59.246 58.100 -0.041 0.000 1.254 502 Y CB -0.594 38.027 38.460 0.268 0.000 1.012 502 Y HN -0.157 nan 8.280 nan 0.000 0.555 503 I N -0.874 119.428 120.570 -0.447 0.000 2.286 503 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 503 I C 2.477 178.469 176.117 -0.209 0.000 1.104 503 I CA 1.468 62.412 61.300 -0.594 0.000 1.397 503 I CB -0.302 37.307 38.000 -0.651 0.000 1.072 503 I HN 0.261 nan 8.210 nan 0.000 0.417 504 H N 1.667 120.523 119.070 -0.357 0.000 2.319 504 H HA -0.237 4.318 4.556 -0.000 0.000 0.299 504 H C 2.219 177.368 175.328 -0.298 0.000 1.092 504 H CA 2.174 58.041 56.048 -0.302 0.000 1.302 504 H CB -0.105 29.465 29.762 -0.320 0.000 1.373 504 H HN 0.109 nan 8.280 nan 0.000 0.497 505 K N -0.990 119.062 120.400 -0.581 0.000 2.032 505 K HA -0.250 4.070 4.320 -0.000 0.000 0.209 505 K C 2.234 178.730 176.600 -0.173 0.000 1.048 505 K CA 1.679 57.673 56.287 -0.488 0.000 0.927 505 K CB -0.529 31.751 32.500 -0.366 0.000 0.712 505 K HN 0.411 nan 8.250 nan 0.000 0.441 506 Y N 1.531 121.791 120.300 -0.068 0.000 2.114 506 Y HA -0.207 4.343 4.550 -0.000 0.000 0.284 506 Y C 1.844 177.771 175.900 0.045 0.000 1.143 506 Y CA 1.811 59.956 58.100 0.076 0.000 1.135 506 Y CB -0.258 38.363 38.460 0.268 0.000 0.980 506 Y HN 0.032 nan 8.280 nan 0.000 0.499 507 I N 0.109 120.621 120.570 -0.097 0.000 2.179 507 I HA -0.348 3.822 4.170 -0.000 0.000 0.242 507 I C 2.437 178.492 176.117 -0.105 0.000 1.088 507 I CA 1.364 62.603 61.300 -0.102 0.000 1.357 507 I CB -0.557 37.446 38.000 0.005 0.000 1.051 507 I HN 0.317 nan 8.210 nan 0.000 0.409 508 Q N 0.658 120.328 119.800 -0.216 0.000 2.096 508 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 508 Q C 2.454 178.378 176.000 -0.126 0.000 0.982 508 Q CA 1.971 57.638 55.803 -0.227 0.000 0.850 508 Q CB -0.558 27.945 28.738 -0.391 0.000 0.901 508 Q HN 0.592 nan 8.270 nan 0.000 0.422 509 A N 1.002 123.719 122.820 -0.172 0.000 1.933 509 A HA -0.193 4.126 4.320 -0.000 0.000 0.218 509 A C 2.056 179.550 177.584 -0.150 0.000 1.175 509 A CA 1.208 53.163 52.037 -0.135 0.000 0.628 509 A CB -0.324 18.603 19.000 -0.121 0.000 0.814 509 A HN 0.244 nan 8.150 nan 0.000 0.444 510 Q N -1.444 118.210 119.800 -0.242 0.000 2.226 510 Q HA -0.137 4.203 4.340 -0.000 0.000 0.204 510 Q C 0.687 176.553 176.000 -0.225 0.000 0.975 510 Q CA 1.246 56.890 55.803 -0.265 0.000 0.866 510 Q CB -0.282 28.241 28.738 -0.358 0.000 0.915 510 Q HN 0.871 nan 8.270 nan 0.000 0.440 511 Y N -0.616 119.587 120.300 -0.162 0.000 2.493 511 Y HA 0.274 4.824 4.550 -0.000 0.000 0.275 511 Y C 1.294 177.141 175.900 -0.089 0.000 1.183 511 Y CA 0.275 58.309 58.100 -0.110 0.000 1.258 511 Y CB 0.446 38.841 38.460 -0.108 0.000 1.108 511 Y HN 0.200 nan 8.280 nan 0.000 0.521 512 G N 0.330 109.133 108.800 0.005 0.000 2.176 512 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.252 512 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.252 512 G C 0.063 174.964 174.900 0.001 0.000 1.024 512 G CA 0.162 45.257 45.100 -0.007 0.000 0.755 512 G HN 0.641 nan 8.290 nan 0.000 0.507 513 A N -0.444 122.370 122.820 -0.010 0.000 2.355 513 A HA 0.952 5.272 4.320 -0.000 0.000 0.324 513 A C 0.402 177.955 177.584 -0.051 0.000 1.117 513 A CA 0.565 52.589 52.037 -0.022 0.000 0.785 513 A CB 1.446 20.429 19.000 -0.029 0.000 1.254 513 A HN 1.843 nan 8.150 nan 0.000 0.453 514 S N 0.210 115.893 115.700 -0.028 0.000 2.713 514 S HA 0.810 5.280 4.470 -0.000 0.000 0.283 514 S C 0.024 174.606 174.600 -0.031 0.000 1.161 514 S CA 0.046 58.231 58.200 -0.026 0.000 0.999 514 S CB 1.159 64.366 63.200 0.011 0.000 1.039 514 S HN 2.009 nan 8.310 nan 0.000 0.548 515 V N -1.335 118.568 119.914 -0.019 0.000 3.040 515 V HA 0.817 4.937 4.120 -0.000 0.000 0.312 515 V C 0.104 176.296 176.094 0.163 0.000 1.115 515 V CA -0.789 61.532 62.300 0.034 0.000 0.998 515 V CB 1.136 32.860 31.823 -0.165 0.000 1.042 515 V HN 1.258 nan 8.190 nan 0.000 0.433 516 S N 1.799 117.665 115.700 0.278 0.000 2.558 516 S HA 0.369 4.839 4.470 -0.000 0.000 0.288 516 S C 1.334 176.102 174.600 0.280 0.000 1.318 516 S CA 0.172 58.524 58.200 0.253 0.000 1.056 516 S CB 0.979 64.326 63.200 0.245 0.000 0.853 516 S HN 2.018 nan 8.310 nan 0.000 0.505 517 A N 2.301 125.225 122.820 0.174 0.000 1.969 517 A HA 0.024 4.344 4.320 -0.000 0.000 0.218 517 A C 1.170 178.827 177.584 0.123 0.000 1.169 517 A CA 1.082 53.213 52.037 0.156 0.000 0.635 517 A CB -0.337 18.726 19.000 0.104 0.000 0.810 517 A HN 0.844 nan 8.150 nan 0.000 0.445 518 K N 0.921 121.357 120.400 0.059 0.000 2.234 518 K HA 0.360 4.679 4.320 -0.000 0.000 0.277 518 K C -2.913 173.531 176.600 -0.260 0.000 1.038 518 K CA -2.509 53.738 56.287 -0.067 0.000 0.888 518 K CB 0.815 33.283 32.500 -0.053 0.000 1.091 518 K HN -0.029 nan 8.250 nan 0.000 0.467 519 P HA -0.078 nan 4.420 nan 0.000 0.264 519 P C -1.234 175.463 177.300 -1.004 0.000 1.183 519 P CA 0.507 62.711 63.100 -1.493 0.000 0.763 519 P CB 0.373 31.347 31.700 -1.210 0.000 0.807 520 E N 2.689 122.181 120.200 -1.180 0.000 3.898 520 E HA 0.190 4.539 4.350 -0.000 0.000 0.219 520 E C -0.444 176.112 176.600 -0.074 0.000 1.207 520 E CA -0.294 55.903 56.400 -0.338 0.000 1.240 520 E CB 0.276 29.955 29.700 -0.035 0.000 1.239 520 E HN 0.372 nan 8.360 nan 0.000 0.422 521 L N 2.248 123.407 121.223 -0.108 0.000 2.410 521 L HA 0.247 4.587 4.340 -0.000 0.000 0.273 521 L C -1.901 175.073 176.870 0.174 0.000 1.152 521 L CA -1.633 53.279 54.840 0.121 0.000 0.855 521 L CB -0.101 41.985 42.059 0.045 0.000 1.129 521 L HN 0.019 nan 8.230 nan 0.000 0.463 522 P HA 0.187 nan 4.420 nan 0.000 0.272 522 P C -0.256 177.190 177.300 0.245 0.000 1.230 522 P CA -0.381 62.864 63.100 0.241 0.000 0.788 522 P CB 0.639 32.479 31.700 0.233 0.000 0.949 523 L N 0.616 121.952 121.223 0.189 0.000 2.543 523 L HA 0.355 4.695 4.340 -0.000 0.000 0.231 523 L C 0.573 177.404 176.870 -0.065 0.000 1.194 523 L CA -0.590 54.246 54.840 -0.008 0.000 0.823 523 L CB -0.008 41.903 42.059 -0.247 0.000 1.374 523 L HN 0.294 nan 8.230 nan 0.000 0.507 524 F N 0.026 119.772 119.950 -0.340 0.000 2.408 524 F HA 0.439 4.966 4.527 -0.000 0.000 0.344 524 F C -0.845 174.693 175.800 -0.436 0.000 1.112 524 F CA -0.382 57.467 58.000 -0.252 0.000 1.096 524 F CB 0.477 39.374 39.000 -0.172 0.000 1.129 524 F HN 0.042 nan 8.300 nan 0.000 0.486 525 Y N 2.511 122.446 120.300 -0.609 0.000 2.536 525 Y HA 0.625 5.175 4.550 -0.000 0.000 0.347 525 Y C 0.230 175.807 175.900 -0.537 0.000 1.000 525 Y CA -0.715 57.139 58.100 -0.409 0.000 1.051 525 Y CB 2.267 40.595 38.460 -0.219 0.000 1.259 525 Y HN 0.683 nan 8.280 nan 0.000 0.468 526 T N -2.485 112.035 114.554 -0.057 0.000 2.812 526 T HA 0.393 4.742 4.350 -0.000 0.000 0.294 526 T C -2.664 171.998 174.700 -0.064 0.000 1.159 526 T CA -2.376 59.689 62.100 -0.058 0.000 1.008 526 T CB 1.908 70.840 68.868 0.106 0.000 1.289 526 T HN 0.188 nan 8.240 nan 0.000 0.514 527 P HA -0.014 nan 4.420 nan 0.000 0.221 527 P C 1.685 178.820 177.300 -0.274 0.000 1.145 527 P CA 0.455 63.468 63.100 -0.145 0.000 0.795 527 P CB -0.127 31.529 31.700 -0.072 0.000 0.775 528 V N 0.473 120.060 119.914 -0.546 0.000 2.469 528 V HA -0.243 3.877 4.120 -0.000 0.000 0.251 528 V C 1.713 177.684 176.094 -0.204 0.000 1.064 528 V CA 2.038 63.969 62.300 -0.615 0.000 1.066 528 V CB -1.188 30.008 31.823 -1.046 0.000 0.667 528 V HN 0.165 nan 8.190 nan 0.000 0.461 529 D N 0.067 120.438 120.400 -0.047 0.000 2.310 529 D HA -0.067 4.573 4.640 -0.000 0.000 0.212 529 D C 1.851 178.186 176.300 0.058 0.000 0.965 529 D CA 0.916 54.967 54.000 0.084 0.000 0.879 529 D CB -0.046 40.882 40.800 0.212 0.000 0.921 529 D HN 0.399 nan 8.370 nan 0.000 0.510 530 L N 0.331 121.564 121.223 0.016 0.000 2.558 530 L HA 0.060 4.400 4.340 -0.000 0.000 0.225 530 L C 0.577 177.469 176.870 0.038 0.000 1.128 530 L CA -0.084 54.769 54.840 0.022 0.000 0.868 530 L CB 0.159 42.224 42.059 0.010 0.000 1.006 530 L HN -0.219 nan 8.230 nan 0.000 0.454 531 V N 1.259 121.199 119.914 0.043 0.000 2.599 531 V HA -0.094 4.026 4.120 -0.000 0.000 0.300 531 V C 0.363 176.493 176.094 0.059 0.000 1.034 531 V CA 0.140 62.478 62.300 0.064 0.000 1.115 531 V CB 0.641 32.510 31.823 0.077 0.000 0.934 531 V HN 0.132 nan 8.190 nan 0.000 0.485 532 D N 5.131 125.563 120.400 0.054 0.000 2.325 532 D HA 0.204 4.844 4.640 -0.000 0.000 0.251 532 D C 0.544 176.876 176.300 0.054 0.000 1.196 532 D CA -0.297 53.734 54.000 0.051 0.000 0.866 532 D CB 1.022 41.845 40.800 0.039 0.000 1.101 532 D HN 0.585 nan 8.370 nan 0.000 0.476 533 I N 0.929 121.539 120.570 0.066 0.000 3.816 533 I HA 0.208 4.378 4.170 -0.000 0.000 0.334 533 I C 0.396 176.548 176.117 0.059 0.000 1.551 533 I CA -0.742 60.597 61.300 0.064 0.000 1.153 533 I CB 0.128 38.188 38.000 0.100 0.000 1.197 533 I HN 0.072 nan 8.210 nan 0.000 0.439 534 S N 0.754 116.490 115.700 0.061 0.000 2.614 534 S HA 0.689 5.159 4.470 -0.000 0.000 0.265 534 S C -0.294 174.338 174.600 0.054 0.000 1.303 534 S CA -0.481 57.764 58.200 0.076 0.000 1.000 534 S CB 2.439 65.682 63.200 0.072 0.000 0.935 534 S HN 0.292 nan 8.310 nan 0.000 0.551 535 V N 0.427 120.392 119.914 0.084 0.000 3.048 535 V HA 0.561 4.680 4.120 -0.000 0.000 0.303 535 V C -1.470 174.702 176.094 0.131 0.000 1.214 535 V CA -0.675 61.653 62.300 0.047 0.000 0.984 535 V CB 2.044 33.834 31.823 -0.055 0.000 1.054 535 V HN 1.129 nan 8.190 nan 0.000 0.430 536 E N 5.455 125.706 120.200 0.085 0.000 2.183 536 E HA 0.681 5.031 4.350 -0.000 0.000 0.271 536 E C -1.142 175.509 176.600 0.086 0.000 0.919 536 E CA -0.729 55.745 56.400 0.122 0.000 0.781 536 E CB 1.747 31.487 29.700 0.065 0.000 1.140 536 E HN 0.758 nan 8.360 nan 0.000 0.402 537 M N 3.633 123.327 119.600 0.157 0.000 2.277 537 M HA 0.410 4.890 4.480 -0.000 0.000 0.282 537 M C -0.999 175.387 176.300 0.142 0.000 1.074 537 M CA -0.019 55.323 55.300 0.070 0.000 0.954 537 M CB 1.685 34.230 32.600 -0.093 0.000 1.672 537 M HN 0.753 nan 8.290 nan 0.000 0.471 538 A N 2.958 125.832 122.820 0.090 0.000 2.822 538 A HA -0.033 4.287 4.320 -0.000 0.000 0.287 538 A C 1.168 178.809 177.584 0.095 0.000 1.479 538 A CA 1.692 53.800 52.037 0.119 0.000 0.779 538 A CB -2.621 16.542 19.000 0.271 0.000 1.022 538 A HN 2.497 nan 8.150 nan 0.000 0.532 539 G N -3.080 105.761 108.800 0.067 0.000 2.184 539 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.264 539 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.264 539 G C 0.111 175.027 174.900 0.027 0.000 0.975 539 G CA 0.634 45.758 45.100 0.040 0.000 0.642 539 G HN 1.489 nan 8.290 nan 0.000 0.536 540 L N 0.214 121.468 121.223 0.052 0.000 2.322 540 L HA 0.538 4.878 4.340 -0.000 0.000 0.279 540 L C 0.423 177.254 176.870 -0.065 0.000 1.036 540 L CA -0.802 54.003 54.840 -0.059 0.000 0.807 540 L CB 1.489 43.470 42.059 -0.130 0.000 1.226 540 L HN -0.033 nan 8.230 nan 0.000 0.433 541 K N 3.205 123.502 120.400 -0.170 0.000 2.263 541 K HA 0.473 4.793 4.320 -0.000 0.000 0.272 541 K C -1.322 175.155 176.600 -0.205 0.000 1.033 541 K CA -0.363 55.877 56.287 -0.077 0.000 0.884 541 K CB 1.161 33.636 32.500 -0.043 0.000 1.107 541 K HN 0.208 nan 8.250 nan 0.000 0.460 542 F N 3.147 123.086 119.950 -0.019 0.000 2.420 542 F HA 0.237 4.764 4.527 -0.000 0.000 0.342 542 F C 1.690 177.510 175.800 0.033 0.000 1.113 542 F CA -1.035 56.971 58.000 0.010 0.000 1.059 542 F CB 0.789 39.781 39.000 -0.014 0.000 1.128 542 F HN 0.469 nan 8.300 nan 0.000 0.475 543 I N 0.073 120.758 120.570 0.191 0.000 2.493 543 I HA -0.026 4.144 4.170 -0.000 0.000 0.254 543 I C -0.162 176.055 176.117 0.167 0.000 1.160 543 I CA 0.695 62.079 61.300 0.140 0.000 1.445 543 I CB -0.377 37.682 38.000 0.098 0.000 1.086 543 I HN 0.653 nan 8.210 nan 0.000 0.433 544 N N -0.600 118.241 118.700 0.234 0.000 2.591 544 N HA 0.357 5.097 4.740 -0.000 0.000 0.263 544 N C -2.564 173.064 175.510 0.197 0.000 1.308 544 N CA -1.654 51.518 53.050 0.204 0.000 0.837 544 N CB 0.948 39.589 38.487 0.257 0.000 1.548 544 N HN -0.292 nan 8.380 nan 0.000 0.493 545 P HA 0.090 nan 4.420 nan 0.000 0.242 545 P C -0.815 176.373 177.300 -0.187 0.000 1.197 545 P CA 0.467 63.417 63.100 -0.250 0.000 0.765 545 P CB -0.134 31.272 31.700 -0.489 0.000 0.936 546 F N 0.791 120.880 119.950 0.231 0.000 2.408 546 F HA 0.632 5.159 4.527 -0.000 0.000 0.344 546 F C 1.344 177.195 175.800 0.084 0.000 1.112 546 F CA -0.279 57.823 58.000 0.171 0.000 1.096 546 F CB 1.545 40.554 39.000 0.016 0.000 1.129 546 F HN -0.140 nan 8.300 nan 0.000 0.486 547 G N 2.471 111.173 108.800 -0.163 0.000 2.690 547 G HA2 0.630 4.590 3.960 -0.000 0.000 0.291 547 G HA3 0.630 4.590 3.960 -0.000 0.000 0.291 547 G C -1.772 172.865 174.900 -0.439 0.000 1.403 547 G CA -1.000 43.516 45.100 -0.973 0.000 0.864 547 G HN 0.525 nan 8.290 nan 0.000 0.480 548 L N 1.306 122.213 121.223 -0.528 0.000 2.290 548 L HA 0.544 4.884 4.340 -0.000 0.000 0.284 548 L C 1.127 177.863 176.870 -0.223 0.000 1.078 548 L CA -0.661 53.900 54.840 -0.464 0.000 0.815 548 L CB 1.331 43.044 42.059 -0.577 0.000 1.162 548 L HN 0.684 nan 8.230 nan 0.000 0.435 549 A N 2.652 125.396 122.820 -0.127 0.000 2.346 549 A HA 0.206 4.526 4.320 -0.000 0.000 0.252 549 A C 0.461 178.018 177.584 -0.044 0.000 1.089 549 A CA -0.254 51.762 52.037 -0.036 0.000 0.797 549 A CB 0.572 19.560 19.000 -0.020 0.000 1.047 549 A HN 0.646 nan 8.150 nan 0.000 0.494 550 S N 0.068 115.760 115.700 -0.014 0.000 2.429 550 S HA 0.498 4.968 4.470 -0.000 0.000 0.292 550 S C 0.157 174.736 174.600 -0.036 0.000 1.183 550 S CA 0.507 58.685 58.200 -0.038 0.000 1.088 550 S CB -1.088 62.094 63.200 -0.029 0.000 1.018 550 S HN 1.964 nan 8.310 nan 0.000 0.511 551 A N 4.164 126.959 122.820 -0.042 0.000 2.799 551 A HA 0.761 5.081 4.320 -0.000 0.000 0.308 551 A C 0.861 178.428 177.584 -0.029 0.000 1.108 551 A CA -0.091 51.925 52.037 -0.036 0.000 0.600 551 A CB -0.571 18.400 19.000 -0.049 0.000 1.452 551 A HN 1.231 nan 8.150 nan 0.000 0.617 552 A N -0.543 122.246 122.820 -0.051 0.000 1.978 552 A HA 0.083 4.403 4.320 -0.000 0.000 0.220 552 A C -0.562 176.998 177.584 -0.040 0.000 1.170 552 A CA 2.569 54.574 52.037 -0.052 0.000 0.636 552 A CB -1.679 17.258 19.000 -0.106 0.000 0.810 552 A HN 0.456 nan 8.150 nan 0.000 0.448 553 P HA -0.026 nan 4.420 nan 0.000 0.230 553 P C 0.731 178.078 177.300 0.080 0.000 1.158 553 P CA 1.636 64.733 63.100 -0.006 0.000 0.769 553 P CB 0.029 31.713 31.700 -0.027 0.000 0.807 554 T N -6.481 108.095 114.554 0.038 0.000 3.293 554 T HA 0.183 4.533 4.350 -0.000 0.000 0.276 554 T C 1.130 175.967 174.700 0.228 0.000 1.003 554 T CA -0.209 61.941 62.100 0.082 0.000 0.916 554 T CB -0.941 67.918 68.868 -0.016 0.000 1.134 554 T HN -0.175 nan 8.240 nan 0.000 0.530 555 T N 2.119 116.787 114.554 0.190 0.000 2.759 555 T HA 0.024 4.374 4.350 -0.000 0.000 0.269 555 T C 0.696 175.604 174.700 0.347 0.000 1.042 555 T CA 1.011 63.249 62.100 0.230 0.000 1.140 555 T CB -0.037 68.891 68.868 0.099 0.000 0.864 555 T HN 0.501 nan 8.240 nan 0.000 0.455 556 S N -0.148 115.715 115.700 0.271 0.000 2.548 556 S HA 0.358 4.828 4.470 -0.000 0.000 0.286 556 S C 1.183 175.894 174.600 0.185 0.000 1.098 556 S CA -0.644 57.661 58.200 0.175 0.000 0.930 556 S CB 2.025 65.267 63.200 0.069 0.000 1.070 556 S HN 0.382 nan 8.310 nan 0.000 0.480 557 S N 1.334 117.049 115.700 0.024 0.000 2.423 557 S HA -0.136 4.334 4.470 -0.000 0.000 0.231 557 S C 1.919 176.501 174.600 -0.029 0.000 1.014 557 S CA 1.304 59.502 58.200 -0.003 0.000 0.965 557 S CB -0.646 62.407 63.200 -0.244 0.000 0.785 557 S HN 0.793 nan 8.310 nan 0.000 0.495 558 S N 2.108 117.806 115.700 -0.004 0.000 2.419 558 S HA -0.024 4.445 4.470 -0.000 0.000 0.233 558 S C 1.874 176.474 174.600 0.000 0.000 1.016 558 S CA 1.174 59.377 58.200 0.005 0.000 0.974 558 S CB -0.721 62.496 63.200 0.028 0.000 0.786 558 S HN 0.539 nan 8.310 nan 0.000 0.492 559 M N 0.851 120.466 119.600 0.025 0.000 2.156 559 M HA 0.168 4.648 4.480 -0.000 0.000 0.264 559 M C 2.136 178.300 176.300 -0.227 0.000 1.067 559 M CA 1.257 56.601 55.300 0.073 0.000 1.131 559 M CB -0.543 32.176 32.600 0.197 0.000 1.368 559 M HN 0.268 nan 8.290 nan 0.000 0.416 560 I N -0.191 120.201 120.570 -0.296 0.000 2.286 560 I HA -0.300 3.870 4.170 -0.000 0.000 0.248 560 I C 2.683 178.299 176.117 -0.834 0.000 1.115 560 I CA 1.241 62.144 61.300 -0.661 0.000 1.392 560 I CB -0.521 37.167 38.000 -0.520 0.000 1.065 560 I HN 0.326 nan 8.210 nan 0.000 0.418 561 R N 1.426 121.660 120.500 -0.444 0.000 2.083 561 R HA -0.191 4.149 4.340 -0.000 0.000 0.237 561 R C 2.455 178.579 176.300 -0.292 0.000 1.137 561 R CA 1.674 57.588 56.100 -0.310 0.000 0.951 561 R CB -0.167 30.142 30.300 0.016 0.000 0.851 561 R HN 0.264 nan 8.270 nan 0.000 0.434 562 R N -0.234 120.145 120.500 -0.200 0.000 2.120 562 R HA -0.063 4.276 4.340 -0.000 0.000 0.234 562 R C 2.318 178.466 176.300 -0.254 0.000 1.123 562 R CA 1.166 57.207 56.100 -0.099 0.000 0.975 562 R CB -0.258 30.082 30.300 0.066 0.000 0.866 562 R HN 0.316 nan 8.270 nan 0.000 0.446 563 A N 0.786 123.179 122.820 -0.711 0.000 1.898 563 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 563 A C 1.743 179.244 177.584 -0.138 0.000 1.181 563 A CA 1.095 52.634 52.037 -0.830 0.000 0.620 563 A CB -0.437 17.638 19.000 -1.541 0.000 0.819 563 A HN 0.145 nan 8.150 nan 0.000 0.442 564 F N 0.343 120.060 119.950 -0.388 0.000 2.186 564 F HA -0.045 4.482 4.527 -0.000 0.000 0.299 564 F C 2.327 178.013 175.800 -0.191 0.000 1.090 564 F CA 1.042 58.807 58.000 -0.392 0.000 1.307 564 F CB -1.000 37.360 39.000 -1.067 0.000 1.019 564 F HN 0.359 nan 8.300 nan 0.000 0.489 565 E N -0.180 120.047 120.200 0.046 0.000 2.153 565 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 565 E C 2.303 178.997 176.600 0.157 0.000 0.988 565 E CA 0.961 57.476 56.400 0.190 0.000 0.811 565 E CB -0.219 29.595 29.700 0.190 0.000 0.746 565 E HN 0.307 nan 8.360 nan 0.000 0.466 566 A N -0.063 122.842 122.820 0.142 0.000 2.067 566 A HA 0.133 4.453 4.320 -0.000 0.000 0.217 566 A C 1.841 179.489 177.584 0.106 0.000 1.156 566 A CA 1.259 53.385 52.037 0.148 0.000 0.683 566 A CB -0.023 19.114 19.000 0.228 0.000 0.808 566 A HN 0.370 nan 8.150 nan 0.000 0.455 567 G N -3.616 105.273 108.800 0.149 0.000 2.227 567 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.168 567 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.168 567 G C -0.240 174.717 174.900 0.095 0.000 1.006 567 G CA -0.352 44.801 45.100 0.089 0.000 0.684 567 G HN 0.298 nan 8.290 nan 0.000 0.489 568 W N 1.012 122.369 121.300 0.095 0.000 2.223 568 W HA 0.461 5.120 4.660 -0.000 0.000 0.334 568 W C 1.588 178.231 176.519 0.207 0.000 1.334 568 W CA 1.111 58.539 57.345 0.138 0.000 1.246 568 W CB 0.904 30.396 29.460 0.052 0.000 1.184 568 W HN 0.201 nan 8.180 nan 0.000 0.563 569 G N 2.567 111.627 108.800 0.434 0.000 2.408 569 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.217 569 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.217 569 G C -0.135 175.095 174.900 0.550 0.000 1.150 569 G CA 0.828 46.191 45.100 0.440 0.000 0.776 569 G HN 0.521 nan 8.290 nan 0.000 0.542 570 F N -2.512 117.734 119.950 0.493 0.000 2.745 570 F HA 0.802 5.329 4.527 -0.000 0.000 0.316 570 F C -0.737 175.382 175.800 0.531 0.000 1.155 570 F CA -1.342 56.952 58.000 0.490 0.000 0.937 570 F CB 1.250 40.550 39.000 0.499 0.000 1.361 570 F HN 0.237 nan 8.300 nan 0.000 0.472 571 A N 1.765 124.919 122.820 0.557 0.000 2.589 571 A HA 0.689 5.009 4.320 -0.000 0.000 0.296 571 A C -2.344 175.388 177.584 0.248 0.000 1.062 571 A CA -0.736 51.394 52.037 0.155 0.000 0.686 571 A CB 1.703 20.600 19.000 -0.172 0.000 1.282 571 A HN 0.780 nan 8.150 nan 0.000 0.404 572 L N 2.069 123.361 121.223 0.114 0.000 2.334 572 L HA 0.597 4.937 4.340 -0.000 0.000 0.275 572 L C 1.130 177.985 176.870 -0.025 0.000 1.036 572 L CA -0.027 54.876 54.840 0.105 0.000 0.807 572 L CB 1.572 43.686 42.059 0.092 0.000 1.231 572 L HN 1.059 nan 8.230 nan 0.000 0.438 573 T N -0.176 114.328 114.554 -0.084 0.000 2.849 573 T HA 0.261 4.611 4.350 -0.000 0.000 0.284 573 T C 0.414 174.851 174.700 -0.438 0.000 1.004 573 T CA -0.764 61.103 62.100 -0.388 0.000 1.021 573 T CB 1.338 69.870 68.868 -0.560 0.000 1.013 573 T HN 0.265 nan 8.240 nan 0.000 0.527 574 K N 1.468 121.478 120.400 -0.651 0.000 2.414 574 K HA 0.126 4.445 4.320 -0.000 0.000 0.272 574 K C 0.223 176.620 176.600 -0.339 0.000 0.993 574 K CA 0.113 56.217 56.287 -0.304 0.000 0.964 574 K CB 0.389 32.853 32.500 -0.059 0.000 0.925 574 K HN 0.812 nan 8.250 nan 0.000 0.487 575 T N 5.224 119.681 114.554 -0.161 0.000 2.867 575 T HA 0.134 4.483 4.350 -0.000 0.000 0.297 575 T C 0.092 174.743 174.700 -0.082 0.000 0.989 575 T CA 0.279 62.281 62.100 -0.163 0.000 1.159 575 T CB -0.386 68.430 68.868 -0.087 0.000 0.928 575 T HN 0.380 nan 8.240 nan 0.000 0.538 576 F N 0.537 120.376 119.950 -0.184 0.000 2.611 576 F HA 0.875 5.402 4.527 -0.000 0.000 0.324 576 F C 0.085 175.857 175.800 -0.047 0.000 1.061 576 F CA -1.279 56.678 58.000 -0.072 0.000 0.954 576 F CB 1.350 40.342 39.000 -0.013 0.000 1.301 576 F HN 0.548 nan 8.300 nan 0.000 0.482 577 S N 0.998 116.825 115.700 0.212 0.000 2.806 577 S HA 0.710 5.180 4.470 -0.000 0.000 0.306 577 S C -0.921 173.755 174.600 0.127 0.000 1.167 577 S CA -1.117 57.107 58.200 0.040 0.000 0.847 577 S CB 1.091 64.258 63.200 -0.054 0.000 1.216 577 S HN 0.863 nan 8.310 nan 0.000 0.532 578 L N 1.415 122.649 121.223 0.018 0.000 2.476 578 L HA 0.218 4.558 4.340 -0.000 0.000 0.264 578 L C 1.057 177.949 176.870 0.037 0.000 1.224 578 L CA -0.449 54.410 54.840 0.031 0.000 0.821 578 L CB 0.090 42.132 42.059 -0.029 0.000 1.101 578 L HN 0.714 nan 8.230 nan 0.000 0.488 579 D N 0.521 120.943 120.400 0.037 0.000 2.158 579 D HA -0.192 4.448 4.640 -0.000 0.000 0.197 579 D C 1.872 178.180 176.300 0.013 0.000 0.995 579 D CA 1.606 55.624 54.000 0.029 0.000 0.846 579 D CB -0.019 40.794 40.800 0.021 0.000 0.941 579 D HN 0.540 nan 8.370 nan 0.000 0.456 580 K N 0.228 120.628 120.400 -0.000 0.000 2.362 580 K HA -0.081 4.238 4.320 -0.000 0.000 0.200 580 K C 0.337 176.932 176.600 -0.008 0.000 1.046 580 K CA 1.048 57.331 56.287 -0.007 0.000 0.952 580 K CB 0.172 32.662 32.500 -0.016 0.000 0.753 580 K HN -0.019 nan 8.250 nan 0.000 0.466 581 D N 1.328 121.723 120.400 -0.008 0.000 2.388 581 D HA 0.112 4.752 4.640 -0.000 0.000 0.221 581 D C 0.318 176.623 176.300 0.009 0.000 1.133 581 D CA -0.275 53.720 54.000 -0.009 0.000 0.831 581 D CB 0.086 40.866 40.800 -0.034 0.000 0.962 581 D HN 0.286 nan 8.370 nan 0.000 0.502 582 I N 1.858 122.437 120.570 0.016 0.000 2.880 582 I HA -0.100 4.070 4.170 -0.000 0.000 0.296 582 I C 0.057 176.185 176.117 0.018 0.000 1.220 582 I CA 0.185 61.500 61.300 0.024 0.000 1.435 582 I CB 0.447 38.458 38.000 0.018 0.000 1.339 582 I HN -0.203 nan 8.210 nan 0.000 0.583 583 V N 3.448 123.375 119.914 0.022 0.000 3.126 583 V HA 0.722 4.842 4.120 -0.000 0.000 0.314 583 V C -0.443 175.657 176.094 0.011 0.000 1.138 583 V CA -0.465 61.845 62.300 0.016 0.000 1.034 583 V CB 1.980 33.815 31.823 0.020 0.000 1.075 583 V HN 0.749 nan 8.190 nan 0.000 0.442 584 T N 2.463 117.020 114.554 0.005 0.000 2.949 584 T HA 0.451 4.801 4.350 -0.000 0.000 0.300 584 T C -0.494 174.203 174.700 -0.004 0.000 0.988 584 T CA -0.406 61.693 62.100 -0.002 0.000 0.993 584 T CB 0.801 69.666 68.868 -0.005 0.000 0.984 584 T HN 0.815 nan 8.240 nan 0.000 0.442 585 N N 1.730 120.426 118.700 -0.006 0.000 2.444 585 N HA 0.393 5.133 4.740 -0.000 0.000 0.255 585 N C 0.336 175.835 175.510 -0.018 0.000 1.255 585 N CA -0.201 52.843 53.050 -0.011 0.000 0.933 585 N CB 1.147 39.627 38.487 -0.012 0.000 1.143 585 N HN 0.528 nan 8.380 nan 0.000 0.453 586 V N -1.874 118.024 119.914 -0.027 0.000 3.193 586 V HA 0.884 5.003 4.120 -0.000 0.000 0.320 586 V C 0.006 176.074 176.094 -0.044 0.000 1.112 586 V CA -0.797 61.484 62.300 -0.033 0.000 1.026 586 V CB 1.555 33.355 31.823 -0.039 0.000 1.128 586 V HN 0.780 nan 8.190 nan 0.000 0.452 587 S N 0.354 116.026 115.700 -0.047 0.000 2.533 587 S HA 0.717 5.187 4.470 -0.000 0.000 0.271 587 S C -2.907 171.655 174.600 -0.065 0.000 1.143 587 S CA -0.999 57.167 58.200 -0.057 0.000 0.891 587 S CB 1.507 64.689 63.200 -0.030 0.000 1.105 587 S HN 1.044 nan 8.310 nan 0.000 0.468 588 P HA 0.396 nan 4.420 nan 0.000 0.272 588 P C -0.201 176.968 177.300 -0.217 0.000 1.230 588 P CA -0.532 62.459 63.100 -0.182 0.000 0.788 588 P CB 0.684 32.177 31.700 -0.346 0.000 0.949 589 R N 0.175 120.568 120.500 -0.178 0.000 2.551 589 R HA 0.408 4.748 4.340 -0.000 0.000 0.316 589 R C 0.058 176.284 176.300 -0.122 0.000 0.934 589 R CA -0.189 55.823 56.100 -0.148 0.000 1.117 589 R CB 0.148 30.395 30.300 -0.087 0.000 1.626 589 R HN 0.270 nan 8.270 nan 0.000 0.513 590 I N 2.767 123.272 120.570 -0.109 0.000 2.478 590 I HA 0.400 4.570 4.170 -0.000 0.000 0.287 590 I C -0.529 175.595 176.117 0.012 0.000 1.042 590 I CA -1.404 59.874 61.300 -0.037 0.000 1.067 590 I CB 2.295 40.276 38.000 -0.032 0.000 1.233 590 I HN -0.051 nan 8.210 nan 0.000 0.431 591 V N 3.066 123.018 119.914 0.065 0.000 3.074 591 V HA 0.686 4.806 4.120 -0.000 0.000 0.314 591 V C -0.157 176.099 176.094 0.270 0.000 1.117 591 V CA -1.083 61.309 62.300 0.154 0.000 1.014 591 V CB 1.851 33.662 31.823 -0.021 0.000 1.057 591 V HN 0.875 nan 8.190 nan 0.000 0.438 592 R N 1.701 122.344 120.500 0.238 0.000 2.679 592 R HA 0.643 4.983 4.340 -0.000 0.000 0.269 592 R C 0.369 176.627 176.300 -0.069 0.000 1.076 592 R CA 0.135 56.226 56.100 -0.016 0.000 1.160 592 R CB 0.344 30.627 30.300 -0.028 0.000 1.054 592 R HN 1.154 nan 8.270 nan 0.000 0.507 593 G N -0.303 108.347 108.800 -0.249 0.000 2.476 593 G HA2 0.244 4.204 3.960 -0.000 0.000 0.269 593 G HA3 0.244 4.204 3.960 -0.000 0.000 0.269 593 G C 0.437 175.260 174.900 -0.128 0.000 1.195 593 G CA -0.462 44.550 45.100 -0.148 0.000 0.843 593 G HN 0.757 nan 8.290 nan 0.000 0.545 594 T N -2.642 111.871 114.554 -0.069 0.000 3.129 594 T HA 0.053 4.402 4.350 -0.000 0.000 0.267 594 T C 1.897 176.558 174.700 -0.065 0.000 1.018 594 T CA 0.622 62.681 62.100 -0.069 0.000 0.903 594 T CB 0.003 68.862 68.868 -0.015 0.000 1.067 594 T HN 0.549 nan 8.240 nan 0.000 0.549 595 T N 0.366 114.879 114.554 -0.068 0.000 3.051 595 T HA -0.028 4.322 4.350 -0.000 0.000 0.269 595 T C 1.477 176.142 174.700 -0.058 0.000 1.127 595 T CA 0.896 62.965 62.100 -0.051 0.000 1.107 595 T CB -0.504 68.338 68.868 -0.043 0.000 0.898 595 T HN 0.574 nan 8.240 nan 0.000 0.517 596 S N -0.549 115.101 115.700 -0.083 0.000 2.977 596 S HA 0.614 5.084 4.470 -0.000 0.000 0.250 596 S C 0.813 175.359 174.600 -0.090 0.000 1.005 596 S CA -0.244 57.910 58.200 -0.077 0.000 1.081 596 S CB -0.015 63.139 63.200 -0.076 0.000 1.018 596 S HN 1.217 nan 8.310 nan 0.000 0.539 597 G N 2.796 111.541 108.800 -0.092 0.000 2.760 597 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.246 597 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.246 597 G C -2.786 172.018 174.900 -0.160 0.000 1.359 597 G CA -0.475 44.569 45.100 -0.092 0.000 0.861 597 G HN 0.350 nan 8.290 nan 0.000 0.541 598 P HA 0.268 nan 4.420 nan 0.000 0.226 598 P C -0.349 176.845 177.300 -0.176 0.000 1.783 598 P CA 0.249 63.262 63.100 -0.146 0.000 0.980 598 P CB -0.083 31.676 31.700 0.098 0.000 1.967 599 M N 2.128 121.510 119.600 -0.363 0.000 2.114 599 M HA 0.330 4.809 4.480 -0.000 0.000 0.332 599 M C -0.418 175.650 176.300 -0.386 0.000 1.014 599 M CA -0.769 54.409 55.300 -0.204 0.000 0.956 599 M CB 0.996 33.519 32.600 -0.128 0.000 1.551 599 M HN 0.032 nan 8.290 nan 0.000 0.427 600 Y N 0.380 120.667 120.300 -0.023 0.000 2.534 600 Y HA 0.784 5.334 4.550 -0.000 0.000 0.329 600 Y C 1.201 177.096 175.900 -0.009 0.000 1.154 600 Y CA 0.281 58.371 58.100 -0.017 0.000 1.192 600 Y CB 1.393 39.844 38.460 -0.014 0.000 1.275 600 Y HN 0.933 nan 8.280 nan 0.000 0.491 601 G N 0.642 109.534 108.800 0.155 0.000 2.513 601 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.227 601 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.227 601 G C -2.731 172.205 174.900 0.061 0.000 1.176 601 G CA -0.812 44.347 45.100 0.097 0.000 0.967 601 G HN 0.607 nan 8.290 nan 0.000 0.587 602 P HA 0.377 nan 4.420 nan 0.000 0.269 602 P C 0.832 178.147 177.300 0.026 0.000 1.215 602 P CA 1.894 65.020 63.100 0.042 0.000 0.780 602 P CB 0.324 32.042 31.700 0.030 0.000 0.898 603 G N 0.853 109.678 108.800 0.041 0.000 2.295 603 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.287 603 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.287 603 G C 0.146 175.026 174.900 -0.034 0.000 1.055 603 G CA -0.309 44.806 45.100 0.025 0.000 0.922 603 G HN 0.599 nan 8.290 nan 0.000 0.503 604 Q N 0.164 119.913 119.800 -0.085 0.000 2.300 604 Q HA 0.248 4.588 4.340 -0.000 0.000 0.280 604 Q C 1.840 177.707 176.000 -0.222 0.000 1.033 604 Q CA 0.747 56.397 55.803 -0.256 0.000 0.903 604 Q CB 0.963 29.354 28.738 -0.578 0.000 1.195 604 Q HN 0.745 nan 8.270 nan 0.000 0.386 605 S N 0.408 115.993 115.700 -0.191 0.000 2.555 605 S HA 0.026 4.496 4.470 -0.000 0.000 0.230 605 S C 0.637 175.174 174.600 -0.106 0.000 0.978 605 S CA 0.423 58.558 58.200 -0.108 0.000 0.934 605 S CB 0.039 63.191 63.200 -0.080 0.000 0.766 605 S HN 0.639 nan 8.310 nan 0.000 0.533 606 S N -1.062 114.497 115.700 -0.235 0.000 2.656 606 S HA 0.714 5.184 4.470 -0.000 0.000 0.265 606 S C -1.606 172.759 174.600 -0.392 0.000 1.110 606 S CA -1.153 56.957 58.200 -0.149 0.000 0.821 606 S CB 0.197 63.370 63.200 -0.046 0.000 1.099 606 S HN 0.179 nan 8.310 nan 0.000 0.471 607 F N -0.111 119.853 119.950 0.025 0.000 2.626 607 F HA 0.807 5.334 4.527 -0.000 0.000 0.311 607 F C -0.793 175.018 175.800 0.019 0.000 1.088 607 F CA -0.867 57.147 58.000 0.023 0.000 0.949 607 F CB 2.064 41.076 39.000 0.019 0.000 1.322 607 F HN 0.783 nan 8.300 nan 0.000 0.461 608 L N 2.634 123.985 121.223 0.214 0.000 2.386 608 L HA 0.659 4.999 4.340 -0.000 0.000 0.271 608 L C -1.470 175.446 176.870 0.077 0.000 0.993 608 L CA -0.308 54.600 54.840 0.114 0.000 0.819 608 L CB 1.842 43.943 42.059 0.071 0.000 1.294 608 L HN 0.839 nan 8.230 nan 0.000 0.414 609 N N 3.512 122.239 118.700 0.047 0.000 2.284 609 N HA 0.540 5.280 4.740 -0.000 0.000 0.289 609 N C -0.622 174.887 175.510 -0.002 0.000 1.179 609 N CA -0.867 52.187 53.050 0.006 0.000 0.774 609 N CB 1.739 40.227 38.487 0.002 0.000 1.548 609 N HN 0.616 nan 8.380 nan 0.000 0.473 610 I N -2.984 117.570 120.570 -0.027 0.000 3.326 610 I HA 0.433 4.603 4.170 -0.000 0.000 0.336 610 I C -0.102 176.002 176.117 -0.021 0.000 1.543 610 I CA -0.630 60.657 61.300 -0.022 0.000 1.013 610 I CB 0.155 38.128 38.000 -0.045 0.000 1.468 610 I HN 0.555 nan 8.210 nan 0.000 0.515 611 E N 1.814 122.005 120.200 -0.015 0.000 2.349 611 E HA 0.508 4.858 4.350 -0.000 0.000 0.265 611 E C -0.589 176.013 176.600 0.003 0.000 1.064 611 E CA -0.458 55.935 56.400 -0.011 0.000 0.886 611 E CB 1.287 30.979 29.700 -0.014 0.000 1.036 611 E HN 0.463 nan 8.360 nan 0.000 0.413 612 L N 3.123 124.351 121.223 0.007 0.000 2.687 612 L HA 0.463 4.803 4.340 -0.000 0.000 0.252 612 L C 0.864 177.749 176.870 0.024 0.000 1.115 612 L CA -1.213 53.637 54.840 0.017 0.000 0.893 612 L CB 0.172 42.240 42.059 0.016 0.000 1.670 612 L HN 0.614 nan 8.230 nan 0.000 0.531 613 I N -2.164 118.424 120.570 0.030 0.000 3.437 613 I HA 0.136 4.306 4.170 -0.000 0.000 0.274 613 I C 0.782 176.943 176.117 0.072 0.000 1.215 613 I CA -0.261 61.062 61.300 0.039 0.000 1.215 613 I CB 0.478 38.498 38.000 0.033 0.000 1.441 613 I HN 0.455 nan 8.210 nan 0.000 0.677 614 S N 0.468 116.239 115.700 0.118 0.000 2.558 614 S HA -0.007 4.463 4.470 -0.000 0.000 0.288 614 S C 0.779 175.484 174.600 0.175 0.000 1.318 614 S CA -0.053 58.272 58.200 0.209 0.000 1.056 614 S CB 0.175 63.629 63.200 0.424 0.000 0.853 614 S HN 0.737 nan 8.310 nan 0.000 0.505 615 E N 2.296 122.568 120.200 0.121 0.000 2.478 615 E HA 0.060 4.410 4.350 -0.000 0.000 0.194 615 E C 0.045 176.659 176.600 0.024 0.000 1.045 615 E CA 0.327 56.760 56.400 0.054 0.000 0.868 615 E CB 0.272 29.976 29.700 0.008 0.000 0.885 615 E HN 0.530 nan 8.360 nan 0.000 0.505 616 K N 1.637 122.073 120.400 0.059 0.000 2.144 616 K HA 0.128 4.448 4.320 -0.000 0.000 0.270 616 K C 0.334 176.992 176.600 0.095 0.000 1.005 616 K CA -0.273 55.947 56.287 -0.112 0.000 0.932 616 K CB 1.215 33.387 32.500 -0.547 0.000 1.021 616 K HN -0.013 nan 8.250 nan 0.000 0.462 617 T N -1.294 113.267 114.554 0.011 0.000 2.802 617 T HA 0.109 4.459 4.350 -0.000 0.000 0.305 617 T C 1.350 176.136 174.700 0.143 0.000 1.053 617 T CA -0.209 61.948 62.100 0.095 0.000 1.058 617 T CB 1.188 70.079 68.868 0.038 0.000 0.988 617 T HN 0.591 nan 8.240 nan 0.000 0.539 618 A N 1.492 124.394 122.820 0.138 0.000 1.972 618 A HA 0.207 4.527 4.320 -0.000 0.000 0.219 618 A C 2.649 180.199 177.584 -0.057 0.000 1.169 618 A CA 1.635 53.695 52.037 0.038 0.000 0.635 618 A CB -1.472 17.670 19.000 0.236 0.000 0.810 618 A HN 1.243 nan 8.150 nan 0.000 0.446 619 A N -1.145 121.680 122.820 0.008 0.000 1.902 619 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 619 A C 2.131 179.684 177.584 -0.052 0.000 1.181 619 A CA 1.659 53.689 52.037 -0.012 0.000 0.623 619 A CB -0.852 18.152 19.000 0.007 0.000 0.818 619 A HN 0.794 nan 8.150 nan 0.000 0.443 620 Y N -1.201 118.978 120.300 -0.201 0.000 2.114 620 Y HA -0.260 4.290 4.550 -0.000 0.000 0.284 620 Y C 2.152 177.815 175.900 -0.396 0.000 1.143 620 Y CA 1.956 59.863 58.100 -0.323 0.000 1.135 620 Y CB -0.535 37.657 38.460 -0.447 0.000 0.980 620 Y HN 0.429 nan 8.280 nan 0.000 0.499 621 W N -0.720 120.396 121.300 -0.306 0.000 2.388 621 W HA -0.175 4.485 4.660 -0.000 0.000 0.294 621 W C 2.680 178.926 176.519 -0.454 0.000 1.212 621 W CA 1.193 58.212 57.345 -0.544 0.000 1.271 621 W CB -0.760 28.067 29.460 -1.055 0.000 1.126 621 W HN 0.107 nan 8.180 nan 0.000 0.535 622 C N -1.084 118.118 119.300 -0.163 0.000 2.446 622 C HA -0.198 4.262 4.460 -0.000 0.000 0.277 622 C C 2.635 177.593 174.990 -0.053 0.000 1.275 622 C CA 1.241 60.234 59.018 -0.042 0.000 1.727 622 C CB -1.266 26.474 27.740 0.001 0.000 2.010 622 C HN 0.425 nan 8.230 nan 0.000 0.486 623 Q N 0.725 120.453 119.800 -0.120 0.000 2.119 623 Q HA -0.159 4.181 4.340 -0.000 0.000 0.201 623 Q C 2.232 178.142 176.000 -0.151 0.000 0.972 623 Q CA 1.704 57.436 55.803 -0.119 0.000 0.847 623 Q CB -0.074 28.580 28.738 -0.140 0.000 0.903 623 Q HN 0.614 nan 8.270 nan 0.000 0.433 624 S N -0.255 115.276 115.700 -0.280 0.000 2.368 624 S HA -0.125 4.345 4.470 -0.000 0.000 0.225 624 S C 1.926 176.500 174.600 -0.044 0.000 1.030 624 S CA 1.256 59.291 58.200 -0.274 0.000 0.999 624 S CB -0.180 62.682 63.200 -0.563 0.000 0.844 624 S HN 0.254 nan 8.310 nan 0.000 0.459 625 V N 1.644 121.579 119.914 0.035 0.000 2.343 625 V HA -0.179 3.940 4.120 -0.000 0.000 0.247 625 V C 2.497 178.650 176.094 0.098 0.000 1.051 625 V CA 2.059 64.432 62.300 0.122 0.000 1.036 625 V CB -1.299 30.618 31.823 0.157 0.000 0.654 625 V HN 0.507 nan 8.190 nan 0.000 0.451 626 T N -0.310 114.275 114.554 0.052 0.000 2.720 626 T HA -0.220 4.130 4.350 -0.000 0.000 0.268 626 T C 1.794 176.523 174.700 0.048 0.000 1.037 626 T CA 1.827 63.954 62.100 0.044 0.000 1.144 626 T CB -0.233 68.645 68.868 0.017 0.000 0.864 626 T HN 0.615 nan 8.240 nan 0.000 0.444 627 E N 0.730 120.948 120.200 0.031 0.000 2.051 627 E HA -0.048 4.302 4.350 -0.000 0.000 0.192 627 E C 2.282 178.954 176.600 0.120 0.000 0.991 627 E CA 0.884 57.310 56.400 0.042 0.000 0.799 627 E CB -0.307 29.396 29.700 0.005 0.000 0.748 627 E HN 0.390 nan 8.360 nan 0.000 0.449 628 L N 0.974 122.305 121.223 0.180 0.000 2.046 628 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 628 L C 2.427 179.520 176.870 0.373 0.000 1.077 628 L CA 1.031 56.088 54.840 0.362 0.000 0.747 628 L CB -0.335 41.928 42.059 0.340 0.000 0.896 628 L HN 0.028 nan 8.230 nan 0.000 0.432 629 K N -0.034 120.502 120.400 0.226 0.000 2.217 629 K HA -0.043 4.277 4.320 -0.000 0.000 0.202 629 K C 2.125 178.781 176.600 0.093 0.000 1.051 629 K CA 1.198 57.580 56.287 0.159 0.000 0.952 629 K CB -0.147 32.420 32.500 0.113 0.000 0.736 629 K HN 0.279 nan 8.250 nan 0.000 0.453 630 A N 1.758 124.620 122.820 0.069 0.000 1.897 630 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 630 A C 1.512 179.066 177.584 -0.049 0.000 1.181 630 A CA 1.628 53.671 52.037 0.010 0.000 0.620 630 A CB -0.144 18.859 19.000 0.004 0.000 0.821 630 A HN 0.149 nan 8.150 nan 0.000 0.443 631 D N -1.651 118.702 120.400 -0.078 0.000 2.305 631 D HA 0.113 4.753 4.640 -0.000 0.000 0.206 631 D C -0.432 175.456 176.300 -0.687 0.000 0.974 631 D CA 0.702 54.480 54.000 -0.371 0.000 0.871 631 D CB 0.037 40.563 40.800 -0.456 0.000 0.947 631 D HN 0.444 nan 8.370 nan 0.000 0.516 632 F N 0.640 120.611 119.950 0.036 0.000 2.584 632 F HA 0.252 4.779 4.527 -0.000 0.000 0.328 632 F C -1.667 174.081 175.800 -0.087 0.000 1.407 632 F CA -1.696 56.283 58.000 -0.035 0.000 1.145 632 F CB 1.594 40.558 39.000 -0.060 0.000 1.440 632 F HN -0.198 nan 8.300 nan 0.000 0.580 633 P HA -0.168 nan 4.420 nan 0.000 0.219 633 P C 0.536 177.821 177.300 -0.025 0.000 1.146 633 P CA 1.544 64.645 63.100 0.003 0.000 0.808 633 P CB 0.492 32.183 31.700 -0.015 0.000 0.779 634 D N -0.816 119.565 120.400 -0.031 0.000 2.354 634 D HA 0.036 4.676 4.640 -0.000 0.000 0.209 634 D C 0.159 176.387 176.300 -0.121 0.000 1.015 634 D CA 0.343 54.307 54.000 -0.059 0.000 0.867 634 D CB -0.286 40.499 40.800 -0.025 0.000 0.933 634 D HN 0.276 nan 8.370 nan 0.000 0.520 635 N N 0.883 119.457 118.700 -0.210 0.000 2.434 635 N HA 0.155 4.895 4.740 -0.000 0.000 0.272 635 N C -0.170 175.156 175.510 -0.307 0.000 1.040 635 N CA -0.395 52.384 53.050 -0.450 0.000 0.956 635 N CB 1.560 39.259 38.487 -1.313 0.000 1.108 635 N HN -0.121 nan 8.380 nan 0.000 0.481 636 I N 2.372 122.854 120.570 -0.146 0.000 2.471 636 I HA 0.110 4.280 4.170 -0.000 0.000 0.286 636 I C -0.070 176.192 176.117 0.241 0.000 1.079 636 I CA -0.262 61.011 61.300 -0.045 0.000 1.398 636 I CB 0.332 38.149 38.000 -0.305 0.000 1.403 636 I HN 0.211 nan 8.210 nan 0.000 0.530 637 V N 8.191 128.241 119.914 0.226 0.000 2.409 637 V HA 0.449 4.569 4.120 -0.000 0.000 0.291 637 V C 0.172 176.421 176.094 0.259 0.000 1.020 637 V CA -0.535 61.961 62.300 0.326 0.000 0.848 637 V CB 1.927 33.936 31.823 0.310 0.000 0.990 637 V HN 0.418 nan 8.190 nan 0.000 0.430 638 I N 4.128 124.874 120.570 0.293 0.000 2.362 638 I HA 0.634 4.804 4.170 -0.000 0.000 0.289 638 I C 0.483 176.720 176.117 0.200 0.000 0.994 638 I CA -0.607 60.848 61.300 0.257 0.000 1.158 638 I CB 1.839 40.037 38.000 0.329 0.000 1.315 638 I HN 0.644 nan 8.210 nan 0.000 0.451 639 A N 4.734 127.659 122.820 0.175 0.000 2.302 639 A HA 0.424 4.744 4.320 -0.000 0.000 0.295 639 A C 0.123 177.708 177.584 0.002 0.000 1.235 639 A CA -0.218 51.911 52.037 0.153 0.000 0.876 639 A CB 0.633 19.785 19.000 0.254 0.000 1.133 639 A HN 0.657 nan 8.150 nan 0.000 0.533 640 S N 2.888 118.529 115.700 -0.098 0.000 2.475 640 S HA 0.633 5.103 4.470 -0.000 0.000 0.281 640 S C -0.131 174.198 174.600 -0.453 0.000 1.198 640 S CA -0.538 57.566 58.200 -0.159 0.000 1.063 640 S CB -0.411 62.725 63.200 -0.106 0.000 0.972 640 S HN 0.804 nan 8.310 nan 0.000 0.486 641 I N 2.173 122.541 120.570 -0.336 0.000 2.934 641 I HA 0.738 4.908 4.170 -0.000 0.000 0.306 641 I C -0.922 175.077 176.117 -0.197 0.000 1.110 641 I CA -1.231 59.778 61.300 -0.485 0.000 1.019 641 I CB 2.320 40.036 38.000 -0.473 0.000 1.227 641 I HN 0.668 nan 8.210 nan 0.000 0.434 642 M N 3.838 123.221 119.600 -0.361 0.000 2.371 642 M HA 0.666 5.146 4.480 -0.000 0.000 0.287 642 M C -2.081 173.792 176.300 -0.712 0.000 1.149 642 M CA -0.026 55.049 55.300 -0.375 0.000 0.929 642 M CB 2.011 34.556 32.600 -0.092 0.000 1.683 642 M HN 0.951 nan 8.290 nan 0.000 0.470 643 C N 0.677 119.281 119.300 -1.161 0.000 3.080 643 C HA 0.797 5.257 4.460 -0.000 0.000 0.307 643 C C 0.275 175.083 174.990 -0.303 0.000 1.311 643 C CA -0.694 57.756 59.018 -0.947 0.000 1.533 643 C CB 2.274 29.009 27.740 -1.676 0.000 1.970 643 C HN 0.978 nan 8.230 nan 0.000 0.467 644 S N 0.034 115.675 115.700 -0.099 0.000 2.641 644 S HA 0.263 4.733 4.470 -0.000 0.000 0.261 644 S C -0.448 174.406 174.600 0.423 0.000 1.257 644 S CA -0.148 58.153 58.200 0.169 0.000 0.983 644 S CB -0.016 63.248 63.200 0.106 0.000 0.990 644 S HN 0.711 nan 8.310 nan 0.000 0.572 645 Y N 2.696 123.212 120.300 0.360 0.000 2.518 645 Y HA 0.274 4.824 4.550 -0.000 0.000 0.337 645 Y C 0.233 176.384 175.900 0.419 0.000 1.261 645 Y CA -0.373 58.028 58.100 0.501 0.000 1.856 645 Y CB -0.995 37.694 38.460 0.381 0.000 1.798 645 Y HN 0.730 nan 8.280 nan 0.000 0.440 646 N N 3.949 122.787 118.700 0.231 0.000 2.454 646 N HA 0.093 4.833 4.740 -0.000 0.000 0.291 646 N C 0.467 175.714 175.510 -0.438 0.000 1.079 646 N CA -0.328 52.625 53.050 -0.161 0.000 0.893 646 N CB 1.515 39.954 38.487 -0.079 0.000 1.512 646 N HN 0.565 nan 8.380 nan 0.000 0.497 647 K N 3.068 122.737 120.400 -1.218 0.000 2.009 647 K HA -0.123 4.197 4.320 -0.000 0.000 0.210 647 K C 1.088 177.348 176.600 -0.568 0.000 1.049 647 K CA 1.541 56.903 56.287 -1.541 0.000 0.929 647 K CB 0.076 31.552 32.500 -1.707 0.000 0.714 647 K HN 0.486 nan 8.250 nan 0.000 0.440 648 N N 1.369 119.831 118.700 -0.395 0.000 2.104 648 N HA -0.168 4.571 4.740 -0.000 0.000 0.190 648 N C 1.355 176.783 175.510 -0.136 0.000 1.024 648 N CA 1.580 54.503 53.050 -0.212 0.000 0.853 648 N CB -0.492 37.894 38.487 -0.167 0.000 1.008 648 N HN 0.310 nan 8.380 nan 0.000 0.424 649 D N -0.120 120.193 120.400 -0.146 0.000 2.084 649 D HA -0.126 4.514 4.640 -0.000 0.000 0.194 649 D C 1.919 178.142 176.300 -0.128 0.000 0.990 649 D CA 0.789 54.697 54.000 -0.152 0.000 0.826 649 D CB -0.556 40.115 40.800 -0.216 0.000 0.971 649 D HN 0.353 nan 8.370 nan 0.000 0.453 650 W N 0.846 122.111 121.300 -0.058 0.000 2.342 650 W HA -0.081 4.579 4.660 -0.000 0.000 0.297 650 W C 2.639 179.136 176.519 -0.037 0.000 1.213 650 W CA 0.678 58.022 57.345 -0.003 0.000 1.251 650 W CB -0.293 29.251 29.460 0.140 0.000 1.136 650 W HN -0.043 nan 8.180 nan 0.000 0.526 651 M N -0.643 119.049 119.600 0.154 0.000 2.175 651 M HA -0.174 4.306 4.480 -0.000 0.000 0.264 651 M C 2.080 178.400 176.300 0.033 0.000 1.063 651 M CA 1.612 56.953 55.300 0.069 0.000 1.119 651 M CB -0.691 31.912 32.600 0.004 0.000 1.377 651 M HN 0.070 nan 8.290 nan 0.000 0.415 652 E N 0.849 121.051 120.200 0.003 0.000 2.028 652 E HA -0.230 4.120 4.350 -0.000 0.000 0.191 652 E C 1.978 178.586 176.600 0.014 0.000 0.988 652 E CA 1.174 57.572 56.400 -0.003 0.000 0.799 652 E CB -0.000 29.683 29.700 -0.027 0.000 0.755 652 E HN 0.268 nan 8.360 nan 0.000 0.447 653 L N 1.076 122.295 121.223 -0.007 0.000 2.046 653 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 653 L C 2.503 179.397 176.870 0.041 0.000 1.077 653 L CA 2.330 57.173 54.840 0.004 0.000 0.747 653 L CB -0.709 41.285 42.059 -0.109 0.000 0.896 653 L HN 0.228 nan 8.230 nan 0.000 0.432 654 S N -0.904 114.826 115.700 0.049 0.000 2.368 654 S HA -0.225 4.245 4.470 -0.000 0.000 0.225 654 S C 2.152 176.784 174.600 0.053 0.000 1.030 654 S CA 1.084 59.315 58.200 0.050 0.000 0.999 654 S CB -0.637 62.586 63.200 0.037 0.000 0.844 654 S HN 0.486 nan 8.310 nan 0.000 0.459 655 R N 1.311 121.840 120.500 0.048 0.000 2.092 655 R HA 0.056 4.396 4.340 -0.000 0.000 0.231 655 R C 2.578 178.916 176.300 0.064 0.000 1.119 655 R CA 1.419 57.548 56.100 0.047 0.000 0.970 655 R CB -0.262 30.058 30.300 0.034 0.000 0.864 655 R HN 0.524 nan 8.270 nan 0.000 0.440 656 K N 0.543 120.990 120.400 0.079 0.000 2.057 656 K HA -0.101 4.219 4.320 -0.000 0.000 0.206 656 K C 2.008 178.691 176.600 0.139 0.000 1.050 656 K CA 1.391 57.739 56.287 0.101 0.000 0.935 656 K CB -0.060 32.512 32.500 0.120 0.000 0.715 656 K HN 0.149 nan 8.250 nan 0.000 0.439 657 A N 1.326 124.253 122.820 0.179 0.000 1.898 657 A HA -0.204 4.115 4.320 -0.000 0.000 0.216 657 A C 2.003 179.677 177.584 0.151 0.000 1.181 657 A CA 1.738 53.912 52.037 0.229 0.000 0.620 657 A CB -0.546 18.596 19.000 0.236 0.000 0.819 657 A HN 0.604 nan 8.150 nan 0.000 0.442 658 E N 0.064 120.327 120.200 0.105 0.000 2.077 658 E HA -0.120 4.229 4.350 -0.000 0.000 0.193 658 E C 2.041 178.684 176.600 0.072 0.000 0.989 658 E CA 1.037 57.485 56.400 0.080 0.000 0.800 658 E CB -0.279 29.457 29.700 0.060 0.000 0.746 658 E HN 0.505 nan 8.360 nan 0.000 0.452 659 A N 0.944 123.805 122.820 0.069 0.000 2.019 659 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 659 A C 2.281 179.900 177.584 0.058 0.000 1.164 659 A CA 1.775 53.845 52.037 0.056 0.000 0.644 659 A CB -0.675 18.354 19.000 0.050 0.000 0.805 659 A HN 0.449 nan 8.150 nan 0.000 0.449 660 S N -1.920 113.826 115.700 0.076 0.000 2.515 660 S HA 0.316 4.786 4.470 -0.000 0.000 0.231 660 S C 1.431 176.074 174.600 0.072 0.000 0.987 660 S CA 1.243 59.486 58.200 0.072 0.000 0.936 660 S CB -0.299 62.958 63.200 0.094 0.000 0.766 660 S HN 1.913 nan 8.310 nan 0.000 0.528 661 G N 0.399 109.243 108.800 0.074 0.000 2.163 661 G HA2 0.028 3.988 3.960 -0.000 0.000 0.213 661 G HA3 0.028 3.988 3.960 -0.000 0.000 0.213 661 G C 0.204 175.154 174.900 0.084 0.000 0.991 661 G CA -0.163 44.978 45.100 0.068 0.000 0.653 661 G HN 1.227 nan 8.290 nan 0.000 0.518 662 A N 0.325 123.209 122.820 0.106 0.000 2.531 662 A HA 0.469 4.789 4.320 -0.000 0.000 0.236 662 A C 1.304 178.942 177.584 0.090 0.000 1.062 662 A CA 0.980 53.090 52.037 0.122 0.000 0.760 662 A CB 0.274 19.364 19.000 0.149 0.000 0.995 662 A HN 0.237 nan 8.150 nan 0.000 0.501 663 D N 0.598 121.050 120.400 0.087 0.000 2.183 663 D HA 0.212 4.852 4.640 -0.000 0.000 0.203 663 D C 0.804 177.134 176.300 0.051 0.000 0.969 663 D CA 1.965 55.993 54.000 0.047 0.000 0.842 663 D CB 0.157 40.963 40.800 0.011 0.000 0.957 663 D HN 0.770 nan 8.370 nan 0.000 0.484 664 A N -0.530 122.342 122.820 0.086 0.000 2.564 664 A HA 0.635 4.955 4.320 -0.000 0.000 0.291 664 A C -1.668 175.967 177.584 0.086 0.000 1.102 664 A CA -0.657 51.407 52.037 0.046 0.000 0.660 664 A CB 0.793 19.830 19.000 0.062 0.000 1.283 664 A HN 0.022 nan 8.150 nan 0.000 0.430 665 L N 0.118 121.364 121.223 0.039 0.000 2.341 665 L HA 0.729 5.068 4.340 -0.000 0.000 0.267 665 L C -0.199 176.758 176.870 0.144 0.000 1.009 665 L CA -0.523 54.373 54.840 0.092 0.000 0.819 665 L CB 2.150 44.251 42.059 0.070 0.000 1.323 665 L HN 0.891 nan 8.230 nan 0.000 0.425 666 E N 2.157 122.455 120.200 0.163 0.000 2.218 666 E HA 0.453 4.802 4.350 -0.000 0.000 0.263 666 E C -1.587 175.108 176.600 0.158 0.000 0.879 666 E CA -0.625 55.905 56.400 0.216 0.000 0.762 666 E CB 1.642 31.470 29.700 0.213 0.000 1.166 666 E HN 0.473 nan 8.360 nan 0.000 0.415 667 L N 4.283 125.618 121.223 0.187 0.000 2.260 667 L HA 0.330 4.670 4.340 -0.000 0.000 0.289 667 L C 0.318 177.297 176.870 0.181 0.000 1.057 667 L CA -0.770 54.184 54.840 0.190 0.000 0.811 667 L CB 0.610 42.693 42.059 0.040 0.000 1.184 667 L HN 0.446 nan 8.230 nan 0.000 0.429 668 N N 4.534 123.366 118.700 0.221 0.000 2.411 668 N HA 0.168 4.908 4.740 -0.000 0.000 0.259 668 N C -0.017 175.630 175.510 0.229 0.000 1.103 668 N CA -0.149 53.002 53.050 0.168 0.000 0.954 668 N CB 1.133 39.683 38.487 0.105 0.000 1.085 668 N HN 0.590 nan 8.380 nan 0.000 0.485 669 L N 2.471 123.786 121.223 0.154 0.000 2.851 669 L HA 0.180 4.520 4.340 -0.000 0.000 0.237 669 L C 1.209 178.157 176.870 0.129 0.000 1.257 669 L CA -0.131 54.797 54.840 0.145 0.000 1.061 669 L CB -0.021 42.081 42.059 0.071 0.000 1.372 669 L HN 0.387 nan 8.230 nan 0.000 0.493 670 S N -1.008 114.771 115.700 0.131 0.000 2.558 670 S HA -0.017 4.453 4.470 -0.000 0.000 0.217 670 S C 0.873 175.541 174.600 0.113 0.000 0.975 670 S CA -0.257 58.005 58.200 0.103 0.000 0.912 670 S CB -0.042 63.206 63.200 0.080 0.000 0.776 670 S HN 0.588 nan 8.310 nan 0.000 0.526 671 C N 5.477 124.868 119.300 0.152 0.000 2.648 671 C HA 0.286 4.745 4.460 -0.000 0.000 0.419 671 C C -2.211 172.872 174.990 0.155 0.000 1.352 671 C CA -2.136 56.971 59.018 0.150 0.000 1.816 671 C CB -0.055 27.800 27.740 0.191 0.000 2.598 671 C HN 0.273 nan 8.230 nan 0.000 0.598 672 P HA 0.152 nan 4.420 nan 0.000 0.276 672 P C -0.411 176.963 177.300 0.124 0.000 1.230 672 P CA 0.492 63.654 63.100 0.103 0.000 0.776 672 P CB 0.507 32.234 31.700 0.046 0.000 0.888 681 G N 0.726 109.543 108.800 0.028 0.000 2.632 681 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.224 681 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.224 681 G C -0.459 174.493 174.900 0.087 0.000 1.341 681 G CA -0.305 44.820 45.100 0.041 0.000 0.880 681 G HN 0.250 nan 8.290 nan 0.000 0.566 682 L N 0.685 121.964 121.223 0.093 0.000 2.993 682 L HA 0.676 5.015 4.340 -0.000 0.000 0.264 682 L C 1.673 178.646 176.870 0.172 0.000 1.154 682 L CA 1.315 56.227 54.840 0.120 0.000 0.972 682 L CB 0.131 42.227 42.059 0.062 0.000 1.373 682 L HN 1.256 nan 8.230 nan 0.000 0.564 683 A N -1.396 121.501 122.820 0.129 0.000 2.295 683 A HA 0.390 4.709 4.320 -0.000 0.000 0.318 683 A C 1.178 178.813 177.584 0.085 0.000 1.134 683 A CA -0.292 51.817 52.037 0.120 0.000 0.827 683 A CB 0.648 19.698 19.000 0.083 0.000 1.136 683 A HN 0.233 nan 8.150 nan 0.000 0.493 684 C N 1.053 120.403 119.300 0.083 0.000 2.425 684 C HA -0.034 4.426 4.460 -0.000 0.000 0.277 684 C C 2.648 177.615 174.990 -0.038 0.000 1.280 684 C CA 1.283 60.294 59.018 -0.011 0.000 1.744 684 C CB -1.360 26.426 27.740 0.077 0.000 1.989 684 C HN 1.003 nan 8.230 nan 0.000 0.491 685 G N -0.621 108.187 108.800 0.013 0.000 2.625 685 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.214 685 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.214 685 G C 1.475 176.368 174.900 -0.012 0.000 1.132 685 G CA 0.249 45.351 45.100 0.003 0.000 0.782 685 G HN 0.724 nan 8.290 nan 0.000 0.538 686 Q N -0.573 119.214 119.800 -0.022 0.000 2.319 686 Q HA 0.101 4.440 4.340 -0.000 0.000 0.202 686 Q C -0.370 175.593 176.000 -0.062 0.000 0.896 686 Q CA -0.086 55.701 55.803 -0.027 0.000 0.942 686 Q CB 0.769 29.502 28.738 -0.007 0.000 1.083 686 Q HN 0.237 nan 8.270 nan 0.000 0.510 687 D N -0.035 120.303 120.400 -0.104 0.000 2.471 687 D HA 0.167 4.807 4.640 -0.000 0.000 0.245 687 D C -2.182 174.039 176.300 -0.132 0.000 1.116 687 D CA -2.172 51.743 54.000 -0.143 0.000 0.853 687 D CB 1.997 42.646 40.800 -0.251 0.000 1.123 687 D HN -0.218 nan 8.370 nan 0.000 0.540 688 P HA -0.146 nan 4.420 nan 0.000 0.216 688 P C 1.119 178.351 177.300 -0.112 0.000 1.150 688 P CA 0.994 64.039 63.100 -0.092 0.000 0.843 688 P CB 0.535 32.191 31.700 -0.073 0.000 0.787 689 E N -0.349 119.777 120.200 -0.123 0.000 2.051 689 E HA -0.161 4.188 4.350 -0.000 0.000 0.192 689 E C 1.907 178.416 176.600 -0.152 0.000 0.991 689 E CA 1.016 57.343 56.400 -0.123 0.000 0.799 689 E CB -0.522 29.110 29.700 -0.113 0.000 0.748 689 E HN 0.131 nan 8.360 nan 0.000 0.449 690 L N 0.211 121.304 121.223 -0.216 0.000 2.046 690 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 690 L C 2.544 179.304 176.870 -0.184 0.000 1.077 690 L CA 0.660 55.350 54.840 -0.249 0.000 0.747 690 L CB -0.474 41.312 42.059 -0.456 0.000 0.896 690 L HN 0.106 nan 8.230 nan 0.000 0.432 691 V N 0.039 119.848 119.914 -0.175 0.000 2.343 691 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 691 V C 2.720 178.694 176.094 -0.201 0.000 1.051 691 V CA 1.930 64.130 62.300 -0.167 0.000 1.036 691 V CB -0.693 31.069 31.823 -0.101 0.000 0.654 691 V HN 0.456 nan 8.190 nan 0.000 0.451 692 R N 0.299 120.692 120.500 -0.178 0.000 2.083 692 R HA -0.184 4.156 4.340 -0.000 0.000 0.237 692 R C 2.247 178.373 176.300 -0.290 0.000 1.137 692 R CA 1.982 57.976 56.100 -0.176 0.000 0.951 692 R CB -0.275 29.944 30.300 -0.135 0.000 0.851 692 R HN 0.543 nan 8.270 nan 0.000 0.434 693 N N 0.693 119.156 118.700 -0.396 0.000 2.106 693 N HA -0.146 4.594 4.740 -0.000 0.000 0.188 693 N C 1.936 176.652 175.510 -1.323 0.000 1.029 693 N CA 1.478 54.070 53.050 -0.763 0.000 0.848 693 N CB -0.220 37.853 38.487 -0.689 0.000 1.007 693 N HN 0.293 nan 8.380 nan 0.000 0.423 694 I N 0.722 120.663 120.570 -1.047 0.000 2.163 694 I HA -0.299 3.871 4.170 -0.000 0.000 0.243 694 I C 2.169 177.876 176.117 -0.683 0.000 1.085 694 I CA 0.893 61.583 61.300 -1.017 0.000 1.347 694 I CB -0.285 37.198 38.000 -0.862 0.000 1.044 694 I HN 0.143 nan 8.210 nan 0.000 0.408 695 C N 0.438 119.482 119.300 -0.427 0.000 2.425 695 C HA -0.109 4.351 4.460 -0.000 0.000 0.277 695 C C 2.879 177.818 174.990 -0.085 0.000 1.280 695 C CA 0.639 59.577 59.018 -0.135 0.000 1.744 695 C CB -1.270 26.542 27.740 0.121 0.000 1.989 695 C HN 0.424 nan 8.230 nan 0.000 0.491 696 R N -0.361 120.023 120.500 -0.194 0.000 2.081 696 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 696 R C 2.183 178.495 176.300 0.021 0.000 1.131 696 R CA 1.604 57.652 56.100 -0.087 0.000 0.960 696 R CB -0.269 29.942 30.300 -0.150 0.000 0.856 696 R HN 0.557 nan 8.270 nan 0.000 0.436 697 W N 0.211 121.438 121.300 -0.123 0.000 2.355 697 W HA -0.101 4.559 4.660 -0.000 0.000 0.309 697 W C 2.086 178.520 176.519 -0.142 0.000 1.206 697 W CA 0.406 57.682 57.345 -0.114 0.000 1.284 697 W CB -1.154 28.235 29.460 -0.117 0.000 1.145 697 W HN -0.102 nan 8.180 nan 0.000 0.502 698 V N 0.721 120.598 119.914 -0.062 0.000 2.427 698 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 698 V C 2.474 178.400 176.094 -0.280 0.000 1.051 698 V CA 2.167 64.287 62.300 -0.302 0.000 1.048 698 V CB -0.911 30.427 31.823 -0.807 0.000 0.666 698 V HN -0.018 nan 8.190 nan 0.000 0.456 699 R N 1.449 121.864 120.500 -0.143 0.000 2.105 699 R HA -0.206 4.134 4.340 -0.000 0.000 0.239 699 R C 2.314 178.677 176.300 0.105 0.000 1.135 699 R CA 2.100 58.307 56.100 0.178 0.000 0.967 699 R CB -0.539 29.935 30.300 0.290 0.000 0.861 699 R HN 0.780 nan 8.270 nan 0.000 0.442 700 Q N -1.614 118.231 119.800 0.076 0.000 2.451 700 Q HA 0.146 4.486 4.340 -0.000 0.000 0.206 700 Q C 1.397 177.426 176.000 0.050 0.000 0.947 700 Q CA 0.931 56.775 55.803 0.069 0.000 0.937 700 Q CB 0.237 29.022 28.738 0.079 0.000 1.025 700 Q HN 0.314 nan 8.270 nan 0.000 0.511 701 A N 1.271 124.113 122.820 0.035 0.000 1.956 701 A HA 0.268 4.588 4.320 -0.000 0.000 0.212 701 A C 1.083 178.681 177.584 0.024 0.000 1.188 701 A CA 0.720 52.772 52.037 0.025 0.000 0.675 701 A CB 0.276 19.290 19.000 0.022 0.000 0.845 701 A HN 0.321 nan 8.150 nan 0.000 0.455 702 V N -4.152 115.776 119.914 0.023 0.000 3.074 702 V HA 0.561 4.680 4.120 -0.000 0.000 0.314 702 V C 0.005 176.138 176.094 0.066 0.000 1.117 702 V CA -0.771 61.553 62.300 0.039 0.000 1.014 702 V CB 1.737 33.579 31.823 0.031 0.000 1.057 702 V HN 0.169 nan 8.190 nan 0.000 0.438 703 Q N 1.648 121.483 119.800 0.057 0.000 2.392 703 Q HA 0.355 4.695 4.340 -0.000 0.000 0.219 703 Q C 0.889 176.921 176.000 0.052 0.000 0.895 703 Q CA 0.706 56.541 55.803 0.054 0.000 0.929 703 Q CB 0.176 28.937 28.738 0.038 0.000 1.077 703 Q HN 0.944 nan 8.270 nan 0.000 0.532 704 I N -0.150 120.451 120.570 0.051 0.000 3.004 704 I HA 0.278 4.448 4.170 -0.000 0.000 0.287 704 I C -2.214 173.918 176.117 0.025 0.000 1.144 704 I CA -2.166 59.153 61.300 0.032 0.000 1.353 704 I CB -0.053 37.966 38.000 0.032 0.000 1.417 704 I HN -0.227 nan 8.210 nan 0.000 0.602 705 P HA 0.248 nan 4.420 nan 0.000 0.272 705 P C -1.139 175.950 177.300 -0.352 0.000 1.223 705 P CA 0.107 63.063 63.100 -0.240 0.000 0.784 705 P CB 0.385 31.924 31.700 -0.269 0.000 0.923 706 F N -0.031 119.524 119.950 -0.659 0.000 2.601 706 F HA 0.738 5.265 4.527 -0.000 0.000 0.309 706 F C -1.850 173.494 175.800 -0.761 0.000 1.089 706 F CA -1.408 56.199 58.000 -0.656 0.000 0.940 706 F CB 1.065 39.913 39.000 -0.253 0.000 1.273 706 F HN 0.072 nan 8.300 nan 0.000 0.450 707 F N 1.830 121.861 119.950 0.136 0.000 2.520 707 F HA 0.791 5.318 4.527 -0.000 0.000 0.322 707 F C 0.134 176.010 175.800 0.126 0.000 1.103 707 F CA -1.384 56.620 58.000 0.006 0.000 0.926 707 F CB 2.176 41.149 39.000 -0.046 0.000 1.154 707 F HN 0.879 nan 8.300 nan 0.000 0.453 708 A N 2.966 125.940 122.820 0.257 0.000 2.289 708 A HA 0.420 4.740 4.320 -0.000 0.000 0.298 708 A C -0.329 177.341 177.584 0.144 0.000 1.208 708 A CA -0.696 51.455 52.037 0.189 0.000 0.845 708 A CB 0.505 19.593 19.000 0.148 0.000 1.125 708 A HN 0.784 nan 8.150 nan 0.000 0.517 709 K N 3.862 124.337 120.400 0.125 0.000 2.284 709 K HA 0.453 4.773 4.320 -0.000 0.000 0.287 709 K C -0.808 175.836 176.600 0.073 0.000 1.081 709 K CA -0.202 56.141 56.287 0.093 0.000 0.910 709 K CB 0.121 32.676 32.500 0.091 0.000 1.088 709 K HN 0.717 nan 8.250 nan 0.000 0.478 710 L N 2.769 124.029 121.223 0.062 0.000 2.375 710 L HA 0.256 4.596 4.340 -0.000 0.000 0.271 710 L C 0.754 177.651 176.870 0.046 0.000 1.107 710 L CA -0.632 54.240 54.840 0.052 0.000 0.806 710 L CB 1.387 43.478 42.059 0.053 0.000 1.146 710 L HN 0.596 nan 8.230 nan 0.000 0.447 711 T N 1.779 116.357 114.554 0.040 0.000 2.875 711 T HA 0.360 4.710 4.350 -0.000 0.000 0.284 711 T C -1.637 173.083 174.700 0.033 0.000 0.995 711 T CA -1.794 60.329 62.100 0.037 0.000 1.060 711 T CB 1.420 70.309 68.868 0.035 0.000 0.967 711 T HN 0.478 nan 8.240 nan 0.000 0.476 712 P HA 0.092 nan 4.420 nan 0.000 0.245 712 P C 0.060 177.372 177.300 0.020 0.000 1.206 712 P CA 0.105 63.224 63.100 0.032 0.000 0.781 712 P CB 0.249 31.973 31.700 0.039 0.000 0.994 713 N N 1.391 120.101 118.700 0.016 0.000 3.243 713 N HA 0.139 4.879 4.740 -0.000 0.000 0.310 713 N C 0.164 175.675 175.510 0.001 0.000 1.313 713 N CA 0.260 53.313 53.050 0.004 0.000 1.204 713 N CB 0.147 38.635 38.487 0.001 0.000 1.483 713 N HN 0.171 nan 8.380 nan 0.000 0.553 714 V N -3.917 115.999 119.914 0.002 0.000 3.049 714 V HA 0.410 4.530 4.120 -0.000 0.000 0.309 714 V C 1.138 177.230 176.094 -0.003 0.000 1.148 714 V CA -0.851 61.448 62.300 -0.002 0.000 0.990 714 V CB 1.551 33.374 31.823 -0.001 0.000 1.039 714 V HN -0.021 nan 8.190 nan 0.000 0.430 715 T N 0.644 115.194 114.554 -0.007 0.000 2.777 715 T HA -0.044 4.306 4.350 -0.000 0.000 0.266 715 T C 0.442 175.139 174.700 -0.004 0.000 1.040 715 T CA 2.376 64.472 62.100 -0.007 0.000 1.141 715 T CB -0.227 68.634 68.868 -0.010 0.000 0.868 715 T HN 0.941 nan 8.240 nan 0.000 0.444 716 D N -0.171 120.226 120.400 -0.005 0.000 2.375 716 D HA 0.264 4.904 4.640 -0.000 0.000 0.259 716 D C 0.573 176.873 176.300 -0.000 0.000 1.235 716 D CA -0.385 53.613 54.000 -0.003 0.000 0.924 716 D CB 0.164 40.959 40.800 -0.009 0.000 1.143 716 D HN 0.112 nan 8.370 nan 0.000 0.529 717 I N 2.826 123.401 120.570 0.009 0.000 2.493 717 I HA -0.181 3.989 4.170 -0.000 0.000 0.254 717 I C 1.374 177.502 176.117 0.018 0.000 1.160 717 I CA 0.736 62.046 61.300 0.017 0.000 1.445 717 I CB 0.479 38.496 38.000 0.029 0.000 1.086 717 I HN 0.233 nan 8.210 nan 0.000 0.433 718 V N 0.931 120.853 119.914 0.013 0.000 2.407 718 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 718 V C 2.642 178.731 176.094 -0.009 0.000 1.055 718 V CA 2.005 64.311 62.300 0.009 0.000 1.049 718 V CB -0.844 30.980 31.823 0.003 0.000 0.662 718 V HN 0.677 nan 8.190 nan 0.000 0.455 719 S N 0.269 115.960 115.700 -0.015 0.000 2.399 719 S HA -0.147 4.323 4.470 -0.000 0.000 0.231 719 S C 1.917 176.498 174.600 -0.032 0.000 1.022 719 S CA 1.403 59.586 58.200 -0.029 0.000 0.983 719 S CB -0.415 62.767 63.200 -0.029 0.000 0.803 719 S HN 0.434 nan 8.310 nan 0.000 0.480 720 I N 2.631 123.190 120.570 -0.017 0.000 2.333 720 I HA 0.057 4.227 4.170 -0.000 0.000 0.246 720 I C 3.058 179.177 176.117 0.004 0.000 1.106 720 I CA 0.997 62.288 61.300 -0.014 0.000 1.411 720 I CB -2.018 35.981 38.000 -0.002 0.000 1.082 720 I HN 0.418 nan 8.210 nan 0.000 0.420 721 A N 1.085 123.922 122.820 0.028 0.000 1.902 721 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 721 A C 2.554 180.129 177.584 -0.015 0.000 1.181 721 A CA 1.789 53.873 52.037 0.077 0.000 0.623 721 A CB -0.705 18.366 19.000 0.117 0.000 0.818 721 A HN 0.348 nan 8.150 nan 0.000 0.443 722 R N -0.380 120.076 120.500 -0.072 0.000 2.081 722 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 722 R C 2.264 178.484 176.300 -0.133 0.000 1.131 722 R CA 1.460 57.472 56.100 -0.147 0.000 0.960 722 R CB -0.411 29.823 30.300 -0.110 0.000 0.856 722 R HN 0.436 nan 8.270 nan 0.000 0.436 723 A N 0.697 123.466 122.820 -0.084 0.000 1.902 723 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 723 A C 2.359 179.900 177.584 -0.072 0.000 1.181 723 A CA 1.681 53.669 52.037 -0.081 0.000 0.623 723 A CB -0.795 18.161 19.000 -0.074 0.000 0.818 723 A HN 0.544 nan 8.150 nan 0.000 0.443 724 A N -0.322 122.478 122.820 -0.033 0.000 1.902 724 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 724 A C 2.143 179.732 177.584 0.009 0.000 1.181 724 A CA 2.006 54.058 52.037 0.026 0.000 0.623 724 A CB -0.452 18.617 19.000 0.116 0.000 0.818 724 A HN 0.554 nan 8.150 nan 0.000 0.443 725 K N -0.119 120.212 120.400 -0.114 0.000 2.057 725 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 725 K C 1.841 178.334 176.600 -0.178 0.000 1.049 725 K CA 1.658 57.766 56.287 -0.298 0.000 0.931 725 K CB -0.184 31.810 32.500 -0.845 0.000 0.714 725 K HN 0.631 nan 8.250 nan 0.000 0.440 726 E N -0.812 119.296 120.200 -0.152 0.000 2.204 726 E HA -0.122 4.227 4.350 -0.000 0.000 0.195 726 E C 1.774 178.335 176.600 -0.065 0.000 0.990 726 E CA 0.937 57.274 56.400 -0.105 0.000 0.821 726 E CB -0.039 29.603 29.700 -0.098 0.000 0.750 726 E HN 0.501 nan 8.360 nan 0.000 0.477 727 G N -0.131 108.639 108.800 -0.052 0.000 2.813 727 G HA2 0.104 4.064 3.960 -0.000 0.000 0.209 727 G HA3 0.104 4.064 3.960 -0.000 0.000 0.209 727 G C 1.059 175.992 174.900 0.055 0.000 1.150 727 G CA 0.363 45.450 45.100 -0.022 0.000 0.785 727 G HN 0.411 nan 8.290 nan 0.000 0.535 728 G N -1.479 107.340 108.800 0.032 0.000 2.184 728 G HA2 0.173 4.133 3.960 -0.000 0.000 0.206 728 G HA3 0.173 4.133 3.960 -0.000 0.000 0.206 728 G C 0.514 175.325 174.900 -0.147 0.000 0.995 728 G CA 0.150 45.272 45.100 0.037 0.000 0.651 728 G HN 1.243 nan 8.290 nan 0.000 0.511 729 A N 0.330 123.020 122.820 -0.216 0.000 2.483 729 A HA 0.500 4.819 4.320 -0.000 0.000 0.238 729 A C 1.060 178.440 177.584 -0.340 0.000 1.070 729 A CA 0.878 52.495 52.037 -0.700 0.000 0.770 729 A CB 0.255 19.163 19.000 -0.153 0.000 1.008 729 A HN 0.247 nan 8.150 nan 0.000 0.497 730 D N 0.698 120.756 120.400 -0.569 0.000 2.349 730 D HA 0.279 4.919 4.640 -0.000 0.000 0.215 730 D C 0.813 177.031 176.300 -0.137 0.000 1.016 730 D CA 1.466 55.329 54.000 -0.229 0.000 0.870 730 D CB 0.436 41.033 40.800 -0.338 0.000 0.917 730 D HN 0.813 nan 8.370 nan 0.000 0.524 731 G N 0.031 108.689 108.800 -0.236 0.000 2.315 731 G HA2 0.359 4.319 3.960 -0.000 0.000 0.294 731 G HA3 0.359 4.319 3.960 -0.000 0.000 0.294 731 G C -1.586 173.146 174.900 -0.280 0.000 1.300 731 G CA -0.316 44.344 45.100 -0.733 0.000 0.843 731 G HN 0.080 nan 8.290 nan 0.000 0.527 732 V N -3.066 116.641 119.914 -0.345 0.000 2.925 732 V HA 0.919 5.038 4.120 -0.000 0.000 0.311 732 V C -0.346 175.684 176.094 -0.107 0.000 1.104 732 V CA -0.786 61.480 62.300 -0.056 0.000 0.954 732 V CB 1.658 33.526 31.823 0.075 0.000 1.022 732 V HN 0.947 nan 8.190 nan 0.000 0.427 733 T N 3.333 117.874 114.554 -0.021 0.000 2.756 733 T HA 0.778 5.128 4.350 -0.000 0.000 0.290 733 T C -0.021 174.677 174.700 -0.004 0.000 0.985 733 T CA 0.209 62.283 62.100 -0.044 0.000 0.955 733 T CB 1.038 69.910 68.868 0.007 0.000 0.930 733 T HN 1.395 nan 8.240 nan 0.000 0.451 734 A N 3.470 126.280 122.820 -0.016 0.000 2.311 734 A HA 0.818 5.138 4.320 -0.000 0.000 0.306 734 A C 0.333 177.925 177.584 0.013 0.000 1.189 734 A CA -0.740 51.310 52.037 0.021 0.000 0.791 734 A CB 0.858 19.886 19.000 0.047 0.000 1.172 734 A HN 0.825 nan 8.150 nan 0.000 0.481 735 T N -0.453 114.115 114.554 0.023 0.000 2.778 735 T HA 0.504 4.854 4.350 -0.000 0.000 0.293 735 T C -0.050 174.669 174.700 0.031 0.000 1.144 735 T CA -0.868 61.253 62.100 0.036 0.000 1.010 735 T CB 1.116 70.015 68.868 0.052 0.000 1.325 735 T HN 0.454 nan 8.240 nan 0.000 0.515 736 N N 0.457 119.180 118.700 0.038 0.000 2.328 736 N HA 0.302 5.042 4.740 -0.000 0.000 0.277 736 N C 0.274 175.808 175.510 0.041 0.000 1.286 736 N CA 0.255 53.328 53.050 0.038 0.000 0.949 736 N CB 0.962 39.475 38.487 0.043 0.000 1.136 736 N HN 0.969 nan 8.380 nan 0.000 0.550 737 T N -1.764 112.815 114.554 0.042 0.000 2.860 737 T HA 0.283 4.633 4.350 -0.000 0.000 0.299 737 T C 0.400 175.126 174.700 0.043 0.000 1.045 737 T CA -0.683 61.445 62.100 0.047 0.000 1.071 737 T CB 0.410 69.308 68.868 0.050 0.000 0.985 737 T HN 0.110 nan 8.240 nan 0.000 0.537 738 V N 2.287 122.227 119.914 0.044 0.000 2.465 738 V HA 0.351 4.471 4.120 -0.000 0.000 0.279 738 V C 0.867 176.978 176.094 0.027 0.000 1.045 738 V CA -0.664 61.655 62.300 0.032 0.000 0.938 738 V CB 1.358 33.200 31.823 0.032 0.000 0.986 738 V HN 1.118 nan 8.190 nan 0.000 0.467 739 S N 3.441 119.147 115.700 0.010 0.000 2.533 739 S HA 0.599 5.068 4.470 -0.000 0.000 0.282 739 S C 0.275 174.864 174.600 -0.018 0.000 1.304 739 S CA 0.453 58.653 58.200 -0.001 0.000 1.063 739 S CB 0.026 63.201 63.200 -0.043 0.000 0.881 739 S HN 1.230 nan 8.310 nan 0.000 0.493 740 G N 3.018 111.833 108.800 0.026 0.000 2.550 740 G HA2 0.494 4.454 3.960 -0.000 0.000 0.293 740 G HA3 0.494 4.454 3.960 -0.000 0.000 0.293 740 G C -2.058 172.923 174.900 0.136 0.000 1.402 740 G CA -0.784 44.339 45.100 0.038 0.000 0.784 740 G HN 0.708 nan 8.290 nan 0.000 0.482 741 L N 0.978 122.280 121.223 0.133 0.000 2.372 741 L HA 0.335 4.675 4.340 -0.000 0.000 0.274 741 L C 1.054 177.984 176.870 0.100 0.000 0.988 741 L CA -0.905 54.030 54.840 0.157 0.000 0.833 741 L CB 2.098 44.275 42.059 0.197 0.000 1.236 741 L HN 0.665 nan 8.230 nan 0.000 0.410 742 M N 2.320 121.974 119.600 0.091 0.000 2.319 742 M HA 0.227 4.706 4.480 -0.000 0.000 0.265 742 M C 0.614 176.967 176.300 0.088 0.000 1.068 742 M CA 0.794 56.143 55.300 0.081 0.000 1.118 742 M CB 0.061 32.713 32.600 0.087 0.000 1.395 742 M HN 0.639 nan 8.290 nan 0.000 0.435 743 G N -1.266 107.597 108.800 0.105 0.000 2.336 743 G HA2 0.389 4.349 3.960 -0.000 0.000 0.300 743 G HA3 0.389 4.349 3.960 -0.000 0.000 0.300 743 G C -2.092 172.878 174.900 0.118 0.000 1.375 743 G CA -0.993 44.167 45.100 0.099 0.000 0.885 743 G HN 0.217 nan 8.290 nan 0.000 0.599 744 L N -0.123 121.155 121.223 0.092 0.000 2.371 744 L HA 0.591 4.931 4.340 -0.000 0.000 0.262 744 L C 0.462 177.371 176.870 0.065 0.000 1.006 744 L CA -1.107 53.785 54.840 0.088 0.000 0.818 744 L CB 2.371 44.469 42.059 0.064 0.000 1.354 744 L HN 0.498 nan 8.230 nan 0.000 0.415 745 K N 0.247 120.681 120.400 0.057 0.000 2.120 745 K HA 0.371 4.691 4.320 -0.000 0.000 0.245 745 K C 0.912 177.522 176.600 0.017 0.000 1.024 745 K CA 0.026 56.325 56.287 0.021 0.000 0.906 745 K CB 0.918 33.419 32.500 0.002 0.000 1.051 745 K HN 0.741 nan 8.250 nan 0.000 0.491 746 A N 1.400 124.222 122.820 0.003 0.000 2.076 746 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 746 A C 1.267 178.854 177.584 0.005 0.000 1.160 746 A CA 2.072 54.111 52.037 0.003 0.000 0.653 746 A CB -0.564 18.434 19.000 -0.004 0.000 0.801 746 A HN 0.835 nan 8.150 nan 0.000 0.455 747 D N -2.599 117.804 120.400 0.006 0.000 2.340 747 D HA 0.287 4.927 4.640 -0.000 0.000 0.220 747 D C 1.167 177.477 176.300 0.015 0.000 1.039 747 D CA 0.916 54.921 54.000 0.008 0.000 0.866 747 D CB -0.456 40.347 40.800 0.005 0.000 0.913 747 D HN 0.716 nan 8.370 nan 0.000 0.523 748 G N 0.142 108.955 108.800 0.022 0.000 2.195 748 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.246 748 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.246 748 G C 0.522 175.444 174.900 0.038 0.000 0.984 748 G CA 0.380 45.497 45.100 0.028 0.000 0.633 748 G HN 0.786 nan 8.290 nan 0.000 0.525 749 T N 0.839 115.420 114.554 0.045 0.000 2.913 749 T HA 0.621 4.971 4.350 -0.000 0.000 0.297 749 T C -1.640 173.119 174.700 0.098 0.000 1.029 749 T CA -0.744 61.394 62.100 0.064 0.000 1.104 749 T CB 2.598 71.507 68.868 0.068 0.000 0.964 749 T HN 0.305 nan 8.240 nan 0.000 0.532 750 P HA 0.290 nan 4.420 nan 0.000 0.281 750 P C -1.183 176.294 177.300 0.295 0.000 1.281 750 P CA -0.903 62.287 63.100 0.150 0.000 0.811 750 P CB 1.148 32.894 31.700 0.077 0.000 1.154 751 W N 1.895 123.207 121.300 0.019 0.000 3.036 751 W HA 0.261 4.921 4.660 -0.000 0.000 0.337 751 W C -2.686 173.853 176.519 0.033 0.000 1.055 751 W CA -2.221 55.140 57.345 0.026 0.000 1.248 751 W CB 2.297 31.776 29.460 0.033 0.000 1.335 751 W HN 0.272 nan 8.180 nan 0.000 0.446 752 P HA 0.249 nan 4.420 nan 0.000 0.271 752 P C -0.883 176.249 177.300 -0.282 0.000 1.218 752 P CA 0.066 62.642 63.100 -0.872 0.000 0.780 752 P CB 1.576 32.843 31.700 -0.722 0.000 0.901 753 A N 2.909 125.636 122.820 -0.155 0.000 2.304 753 A HA 0.541 4.861 4.320 -0.000 0.000 0.314 753 A C -0.547 177.038 177.584 0.002 0.000 1.187 753 A CA -0.651 51.423 52.037 0.062 0.000 0.810 753 A CB 0.906 20.066 19.000 0.266 0.000 1.183 753 A HN 0.323 nan 8.150 nan 0.000 0.487 754 V N 2.434 122.336 119.914 -0.020 0.000 2.435 754 V HA 0.775 4.895 4.120 -0.000 0.000 0.290 754 V C 0.943 177.038 176.094 0.002 0.000 1.030 754 V CA 0.641 62.928 62.300 -0.023 0.000 0.881 754 V CB 0.617 32.411 31.823 -0.048 0.000 0.983 754 V HN 2.075 nan 8.190 nan 0.000 0.445 755 G N 3.983 112.789 108.800 0.011 0.000 2.855 755 G HA2 0.111 4.071 3.960 -0.000 0.000 0.352 755 G HA3 0.111 4.071 3.960 -0.000 0.000 0.352 755 G C 0.835 175.749 174.900 0.024 0.000 1.415 755 G CA 0.032 45.140 45.100 0.014 0.000 0.871 755 G HN 1.545 nan 8.290 nan 0.000 0.543 756 A N -0.628 122.203 122.820 0.018 0.000 2.019 756 A HA 0.263 4.582 4.320 -0.000 0.000 0.219 756 A C 2.757 180.353 177.584 0.019 0.000 1.164 756 A CA 2.476 54.525 52.037 0.020 0.000 0.644 756 A CB -0.724 18.284 19.000 0.013 0.000 0.805 756 A HN 2.351 nan 8.150 nan 0.000 0.449 757 G N -1.130 107.678 108.800 0.014 0.000 2.744 757 G HA2 0.094 4.054 3.960 -0.000 0.000 0.211 757 G HA3 0.094 4.054 3.960 -0.000 0.000 0.211 757 G C 0.654 175.565 174.900 0.017 0.000 1.143 757 G CA 0.427 45.533 45.100 0.011 0.000 0.788 757 G HN 0.560 nan 8.290 nan 0.000 0.534 758 K N -0.194 120.223 120.400 0.028 0.000 3.148 758 K HA -0.191 4.129 4.320 -0.000 0.000 0.267 758 K C 0.295 176.912 176.600 0.028 0.000 0.996 758 K CA 0.429 56.744 56.287 0.046 0.000 0.737 758 K CB -0.997 31.538 32.500 0.059 0.000 1.308 758 K HN 0.468 nan 8.250 nan 0.000 0.470 759 R N -0.039 120.464 120.500 0.004 0.000 2.543 759 R HA 0.531 4.871 4.340 -0.000 0.000 0.268 759 R C 0.525 176.802 176.300 -0.038 0.000 1.067 759 R CA -0.370 55.719 56.100 -0.019 0.000 1.142 759 R CB 1.589 31.872 30.300 -0.028 0.000 1.110 759 R HN 0.177 nan 8.270 nan 0.000 0.549 760 T N -1.076 113.439 114.554 -0.065 0.000 2.711 760 T HA 0.368 4.718 4.350 -0.000 0.000 0.302 760 T C -1.382 173.235 174.700 -0.139 0.000 1.373 760 T CA -0.394 61.653 62.100 -0.090 0.000 1.000 760 T CB 2.071 70.894 68.868 -0.075 0.000 1.483 760 T HN 0.547 nan 8.240 nan 0.000 0.499 761 T N 0.103 114.565 114.554 -0.152 0.000 2.816 761 T HA 0.636 4.985 4.350 -0.000 0.000 0.299 761 T C -1.450 173.143 174.700 -0.177 0.000 1.230 761 T CA -0.500 61.462 62.100 -0.230 0.000 1.007 761 T CB 0.654 69.446 68.868 -0.127 0.000 1.289 761 T HN 0.504 nan 8.240 nan 0.000 0.508 762 Y N 0.809 121.109 120.300 0.001 0.000 2.610 762 Y HA 0.428 4.978 4.550 -0.000 0.000 0.332 762 Y C 1.368 177.269 175.900 0.001 0.000 1.201 762 Y CA 0.202 58.305 58.100 0.004 0.000 1.465 762 Y CB 0.526 38.991 38.460 0.010 0.000 1.283 762 Y HN 0.750 nan 8.280 nan 0.000 0.563 763 G N 0.778 109.679 108.800 0.169 0.000 2.932 763 G HA2 0.583 4.543 3.960 -0.000 0.000 0.283 763 G HA3 0.583 4.543 3.960 -0.000 0.000 0.283 763 G C -0.737 174.214 174.900 0.085 0.000 1.336 763 G CA -0.800 44.354 45.100 0.090 0.000 1.056 763 G HN 0.816 nan 8.290 nan 0.000 0.522 764 G N -1.002 107.835 108.800 0.063 0.000 2.335 764 G HA2 0.498 4.458 3.960 -0.000 0.000 0.316 764 G HA3 0.498 4.458 3.960 -0.000 0.000 0.316 764 G C -0.649 174.291 174.900 0.068 0.000 1.129 764 G CA -0.233 44.903 45.100 0.060 0.000 0.899 764 G HN 0.581 nan 8.290 nan 0.000 0.448 765 V N 2.162 122.116 119.914 0.066 0.000 2.465 765 V HA 0.595 4.715 4.120 -0.000 0.000 0.279 765 V C 0.571 176.717 176.094 0.086 0.000 1.045 765 V CA -0.345 62.001 62.300 0.076 0.000 0.938 765 V CB 0.845 32.703 31.823 0.058 0.000 0.986 765 V HN 0.997 nan 8.190 nan 0.000 0.467 766 S N 2.881 118.653 115.700 0.121 0.000 2.709 766 S HA 1.019 5.489 4.470 -0.000 0.000 0.302 766 S C -0.044 174.652 174.600 0.159 0.000 1.127 766 S CA -0.108 58.171 58.200 0.131 0.000 0.905 766 S CB 1.988 65.271 63.200 0.138 0.000 1.151 766 S HN 2.116 nan 8.310 nan 0.000 0.510 767 G N 0.384 109.277 108.800 0.155 0.000 2.549 767 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.404 767 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.404 767 G C 0.577 175.543 174.900 0.110 0.000 1.292 767 G CA 0.562 45.755 45.100 0.155 0.000 0.935 767 G HN 1.926 nan 8.290 nan 0.000 0.512 768 T N -1.758 112.853 114.554 0.094 0.000 2.849 768 T HA 0.158 4.508 4.350 -0.000 0.000 0.270 768 T C 2.582 177.321 174.700 0.066 0.000 1.066 768 T CA 2.523 64.674 62.100 0.085 0.000 1.130 768 T CB -0.376 68.532 68.868 0.067 0.000 0.864 768 T HN 2.113 nan 8.240 nan 0.000 0.481 769 A N 2.103 124.949 122.820 0.045 0.000 2.019 769 A HA 0.153 4.473 4.320 -0.000 0.000 0.219 769 A C 2.297 179.909 177.584 0.047 0.000 1.164 769 A CA 1.363 53.419 52.037 0.031 0.000 0.644 769 A CB -0.817 18.191 19.000 0.013 0.000 0.805 769 A HN 0.907 nan 8.150 nan 0.000 0.449 770 I N -4.517 116.093 120.570 0.068 0.000 3.956 770 I HA 0.257 4.427 4.170 -0.000 0.000 0.333 770 I C 1.795 177.977 176.117 0.108 0.000 1.302 770 I CA 0.164 61.509 61.300 0.076 0.000 1.122 770 I CB -0.044 38.001 38.000 0.076 0.000 1.013 770 I HN 0.179 nan 8.210 nan 0.000 0.405 771 R N 2.206 122.782 120.500 0.128 0.000 2.091 771 R HA -0.081 4.259 4.340 -0.000 0.000 0.238 771 R C -0.558 175.816 176.300 0.123 0.000 1.136 771 R CA 2.010 58.227 56.100 0.194 0.000 0.959 771 R CB -1.169 29.244 30.300 0.188 0.000 0.856 771 R HN 0.317 nan 8.270 nan 0.000 0.437 772 P HA -0.118 nan 4.420 nan 0.000 0.218 772 P C 1.035 178.356 177.300 0.035 0.000 1.149 772 P CA 1.272 64.386 63.100 0.023 0.000 0.817 772 P CB 0.001 31.712 31.700 0.018 0.000 0.785 773 I N -0.880 119.726 120.570 0.059 0.000 2.286 773 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 773 I C 2.314 178.485 176.117 0.091 0.000 1.104 773 I CA 1.315 62.652 61.300 0.061 0.000 1.397 773 I CB -0.789 37.245 38.000 0.057 0.000 1.072 773 I HN -0.095 nan 8.210 nan 0.000 0.417 774 A N 0.916 123.827 122.820 0.150 0.000 1.898 774 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 774 A C 2.316 180.065 177.584 0.275 0.000 1.181 774 A CA 1.233 53.415 52.037 0.242 0.000 0.620 774 A CB -0.774 18.432 19.000 0.342 0.000 0.819 774 A HN 0.350 nan 8.150 nan 0.000 0.442 775 L N -0.965 120.325 121.223 0.112 0.000 2.046 775 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 775 L C 2.825 179.670 176.870 -0.042 0.000 1.077 775 L CA 1.789 56.534 54.840 -0.159 0.000 0.747 775 L CB -0.396 41.466 42.059 -0.328 0.000 0.896 775 L HN 0.511 nan 8.230 nan 0.000 0.432 776 R N 0.229 120.729 120.500 0.001 0.000 2.081 776 R HA -0.183 4.157 4.340 -0.000 0.000 0.235 776 R C 2.310 178.631 176.300 0.035 0.000 1.131 776 R CA 1.459 57.567 56.100 0.013 0.000 0.960 776 R CB -0.256 30.055 30.300 0.018 0.000 0.856 776 R HN 0.319 nan 8.270 nan 0.000 0.436 777 A N 0.489 123.346 122.820 0.061 0.000 1.883 777 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 777 A C 2.302 179.932 177.584 0.077 0.000 1.186 777 A CA 1.806 53.884 52.037 0.069 0.000 0.624 777 A CB -0.727 18.323 19.000 0.083 0.000 0.822 777 A HN 0.237 nan 8.150 nan 0.000 0.444 778 V N 0.670 120.649 119.914 0.108 0.000 2.295 778 V HA -0.267 3.852 4.120 -0.000 0.000 0.246 778 V C 3.049 179.183 176.094 0.066 0.000 1.049 778 V CA 2.595 64.961 62.300 0.110 0.000 1.024 778 V CB -1.559 30.385 31.823 0.202 0.000 0.648 778 V HN 0.860 nan 8.190 nan 0.000 0.447 779 T N -3.149 111.428 114.554 0.039 0.000 2.746 779 T HA -0.262 4.088 4.350 -0.000 0.000 0.267 779 T C 1.927 176.644 174.700 0.028 0.000 1.039 779 T CA 2.174 64.288 62.100 0.023 0.000 1.142 779 T CB -0.761 68.109 68.868 0.003 0.000 0.866 779 T HN 0.420 nan 8.240 nan 0.000 0.444 780 T N 0.889 115.461 114.554 0.030 0.000 2.821 780 T HA 0.105 4.455 4.350 -0.000 0.000 0.267 780 T C 1.909 176.630 174.700 0.034 0.000 1.046 780 T CA 0.975 63.092 62.100 0.028 0.000 1.139 780 T CB -0.606 68.278 68.868 0.026 0.000 0.871 780 T HN 0.486 nan 8.240 nan 0.000 0.454 781 I N 1.021 121.621 120.570 0.050 0.000 2.252 781 I HA -0.069 4.101 4.170 -0.000 0.000 0.245 781 I C 2.896 179.058 176.117 0.075 0.000 1.102 781 I CA 1.083 62.425 61.300 0.070 0.000 1.385 781 I CB -0.458 37.600 38.000 0.096 0.000 1.064 781 I HN 0.241 nan 8.210 nan 0.000 0.414 782 A N 0.890 123.748 122.820 0.063 0.000 1.933 782 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 782 A C 2.372 179.978 177.584 0.037 0.000 1.175 782 A CA 1.509 53.579 52.037 0.055 0.000 0.628 782 A CB -0.509 18.514 19.000 0.040 0.000 0.814 782 A HN 0.338 nan 8.150 nan 0.000 0.444 783 R N -0.815 119.700 120.500 0.026 0.000 2.093 783 R HA 0.080 4.420 4.340 -0.000 0.000 0.224 783 R C 2.398 178.703 176.300 0.007 0.000 1.101 783 R CA 1.025 57.131 56.100 0.011 0.000 0.979 783 R CB -0.314 29.990 30.300 0.006 0.000 0.877 783 R HN 0.485 nan 8.270 nan 0.000 0.441 784 A N 0.756 123.583 122.820 0.011 0.000 1.970 784 A HA 0.059 4.379 4.320 -0.000 0.000 0.216 784 A C 1.129 178.706 177.584 -0.011 0.000 1.170 784 A CA 0.724 52.760 52.037 -0.002 0.000 0.645 784 A CB 0.179 19.177 19.000 -0.003 0.000 0.816 784 A HN 0.140 nan 8.150 nan 0.000 0.447 785 L N 0.650 121.881 121.223 0.012 0.000 2.556 785 L HA 0.290 4.630 4.340 -0.000 0.000 0.243 785 L C -2.801 174.108 176.870 0.066 0.000 1.331 785 L CA -1.898 52.946 54.840 0.006 0.000 0.927 785 L CB 1.264 43.314 42.059 -0.016 0.000 1.219 785 L HN -0.020 nan 8.230 nan 0.000 0.490 786 P HA 0.051 nan 4.420 nan 0.000 0.261 786 P C 1.077 178.415 177.300 0.063 0.000 1.183 786 P CA 0.966 64.089 63.100 0.039 0.000 0.761 786 P CB 0.880 32.587 31.700 0.012 0.000 0.785 787 G N 2.687 111.528 108.800 0.067 0.000 2.253 787 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.251 787 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.251 787 G C 0.077 175.054 174.900 0.129 0.000 0.998 787 G CA -0.450 44.693 45.100 0.072 0.000 0.621 787 G HN 0.528 nan 8.290 nan 0.000 0.524 788 F N 4.082 124.018 119.950 -0.023 0.000 2.502 788 F HA 0.538 5.065 4.527 -0.000 0.000 0.371 788 F C -1.583 174.198 175.800 -0.030 0.000 1.083 788 F CA -2.803 55.183 58.000 -0.023 0.000 1.174 788 F CB 0.547 39.532 39.000 -0.023 0.000 1.096 788 F HN -0.054 nan 8.300 nan 0.000 0.545 789 P HA 0.093 nan 4.420 nan 0.000 0.262 789 P C -0.743 176.255 177.300 -0.504 0.000 1.182 789 P CA 0.651 63.516 63.100 -0.391 0.000 0.761 789 P CB 0.293 31.797 31.700 -0.328 0.000 0.795 790 I N 3.821 124.186 120.570 -0.343 0.000 2.466 790 I HA 0.260 4.430 4.170 -0.000 0.000 0.289 790 I C -0.599 175.331 176.117 -0.312 0.000 1.026 790 I CA -0.929 60.201 61.300 -0.283 0.000 1.078 790 I CB 1.683 39.608 38.000 -0.126 0.000 1.249 790 I HN 0.026 nan 8.210 nan 0.000 0.429 791 L N 6.122 127.141 121.223 -0.340 0.000 2.265 791 L HA 0.624 4.964 4.340 -0.000 0.000 0.289 791 L C 0.427 177.185 176.870 -0.187 0.000 1.033 791 L CA -0.041 54.605 54.840 -0.323 0.000 0.814 791 L CB 1.395 43.222 42.059 -0.387 0.000 1.203 791 L HN 0.640 nan 8.230 nan 0.000 0.423 792 A N 2.219 124.929 122.820 -0.183 0.000 2.316 792 A HA 0.778 5.098 4.320 -0.000 0.000 0.284 792 A C 0.145 177.546 177.584 -0.305 0.000 1.115 792 A CA -0.160 51.733 52.037 -0.240 0.000 0.812 792 A CB 0.804 19.596 19.000 -0.345 0.000 1.064 792 A HN 0.667 nan 8.150 nan 0.000 0.489 793 T N -0.837 113.529 114.554 -0.313 0.000 3.193 793 T HA 0.615 4.965 4.350 -0.000 0.000 0.332 793 T C -0.505 174.080 174.700 -0.192 0.000 1.208 793 T CA 0.408 62.368 62.100 -0.232 0.000 1.080 793 T CB 0.967 69.786 68.868 -0.082 0.000 1.180 793 T HN 2.475 nan 8.240 nan 0.000 0.469 794 G N 1.153 109.857 108.800 -0.160 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 0.778 175.723 174.900 0.074 0.000 2.189 794 G CA 0.483 45.581 45.100 -0.003 0.000 1.153 794 G HN 2.256 nan 8.290 nan 0.000 0.621 795 G N -0.056 108.790 108.800 0.078 0.000 2.136 795 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.242 795 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.242 795 G C 0.487 175.466 174.900 0.132 0.000 0.989 795 G CA 0.301 45.478 45.100 0.129 0.000 0.682 795 G HN 1.381 nan 8.290 nan 0.000 0.522 796 I N 1.684 122.279 120.570 0.042 0.000 2.379 796 I HA 0.317 4.487 4.170 -0.000 0.000 0.290 796 I C 0.558 176.692 176.117 0.028 0.000 1.063 796 I CA 0.309 61.624 61.300 0.025 0.000 1.351 796 I CB 0.879 38.826 38.000 -0.088 0.000 1.410 796 I HN 0.275 nan 8.210 nan 0.000 0.505 797 D N 3.412 123.810 120.400 -0.004 0.000 2.636 797 D HA 0.130 4.770 4.640 -0.000 0.000 0.270 797 D C -0.216 176.042 176.300 -0.070 0.000 1.430 797 D CA -0.207 53.814 54.000 0.036 0.000 0.796 797 D CB 0.290 41.168 40.800 0.130 0.000 1.117 797 D HN 0.450 nan 8.370 nan 0.000 0.480 798 S N -2.218 113.258 115.700 -0.374 0.000 2.627 798 S HA 0.595 5.065 4.470 -0.000 0.000 0.268 798 S C 0.753 175.171 174.600 -0.302 0.000 1.130 798 S CA -0.440 57.587 58.200 -0.288 0.000 0.819 798 S CB 0.956 64.145 63.200 -0.018 0.000 1.100 798 S HN 0.154 nan 8.310 nan 0.000 0.465 799 A N 0.730 123.482 122.820 -0.114 0.000 1.930 799 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 799 A C 1.939 179.568 177.584 0.076 0.000 1.175 799 A CA 1.810 53.884 52.037 0.061 0.000 0.627 799 A CB -1.109 17.959 19.000 0.112 0.000 0.815 799 A HN 0.946 nan 8.150 nan 0.000 0.443 800 E N 0.665 120.889 120.200 0.041 0.000 2.038 800 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 800 E C 2.212 178.847 176.600 0.058 0.000 1.000 800 E CA 1.970 58.398 56.400 0.046 0.000 0.803 800 E CB -0.169 29.552 29.700 0.034 0.000 0.750 800 E HN 0.709 nan 8.360 nan 0.000 0.448 801 S N -0.268 115.469 115.700 0.062 0.000 2.402 801 S HA -0.053 4.417 4.470 -0.000 0.000 0.229 801 S C 2.177 176.903 174.600 0.210 0.000 1.021 801 S CA 0.963 59.235 58.200 0.120 0.000 0.974 801 S CB -0.710 62.569 63.200 0.132 0.000 0.800 801 S HN 0.400 nan 8.310 nan 0.000 0.484 802 G N 1.942 110.834 108.800 0.152 0.000 2.418 802 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.217 802 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.217 802 G C 1.355 176.313 174.900 0.095 0.000 1.158 802 G CA 0.957 46.156 45.100 0.163 0.000 0.771 802 G HN 0.479 nan 8.290 nan 0.000 0.545 803 L N 0.477 121.718 121.223 0.030 0.000 2.131 803 L HA -0.009 4.331 4.340 -0.000 0.000 0.210 803 L C 2.794 179.590 176.870 -0.123 0.000 1.092 803 L CA 1.728 56.499 54.840 -0.116 0.000 0.759 803 L CB -0.546 41.437 42.059 -0.127 0.000 0.903 803 L HN 0.322 nan 8.230 nan 0.000 0.435 804 Q N -1.451 118.356 119.800 0.011 0.000 2.084 804 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 804 Q C 2.171 178.135 176.000 -0.060 0.000 0.978 804 Q CA 1.960 57.761 55.803 -0.002 0.000 0.844 804 Q CB -0.261 28.432 28.738 -0.074 0.000 0.898 804 Q HN 0.507 nan 8.270 nan 0.000 0.426 805 F N 0.437 120.379 119.950 -0.013 0.000 2.206 805 F HA -0.137 4.390 4.527 -0.000 0.000 0.298 805 F C 2.021 177.794 175.800 -0.045 0.000 1.090 805 F CA 0.804 58.791 58.000 -0.022 0.000 1.323 805 F CB -0.073 38.904 39.000 -0.038 0.000 1.028 805 F HN 0.009 nan 8.300 nan 0.000 0.492 806 L N -0.971 120.295 121.223 0.072 0.000 2.017 806 L HA -0.264 4.076 4.340 -0.000 0.000 0.208 806 L C 2.272 179.159 176.870 0.028 0.000 1.073 806 L CA 1.647 56.472 54.840 -0.026 0.000 0.745 806 L CB -0.972 41.004 42.059 -0.138 0.000 0.894 806 L HN 0.219 nan 8.230 nan 0.000 0.432 807 H N -1.174 117.904 119.070 0.013 0.000 2.457 807 H HA -0.111 4.445 4.556 -0.000 0.000 0.297 807 H C 2.213 177.541 175.328 0.001 0.000 1.092 807 H CA 0.941 56.994 56.048 0.009 0.000 1.309 807 H CB 0.255 30.025 29.762 0.014 0.000 1.382 807 H HN 0.245 nan 8.280 nan 0.000 0.535 808 S N -1.168 114.597 115.700 0.107 0.000 2.562 808 S HA 0.090 4.559 4.470 -0.000 0.000 0.221 808 S C 1.629 176.258 174.600 0.048 0.000 0.975 808 S CA 0.633 58.859 58.200 0.043 0.000 0.918 808 S CB 0.716 63.894 63.200 -0.038 0.000 0.772 808 S HN 0.780 nan 8.310 nan 0.000 0.531 809 G N 0.573 109.404 108.800 0.052 0.000 2.229 809 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.189 809 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.189 809 G C 0.101 175.002 174.900 0.002 0.000 1.000 809 G CA -0.274 44.843 45.100 0.028 0.000 0.663 809 G HN 0.721 nan 8.290 nan 0.000 0.493 810 A N 0.324 123.153 122.820 0.015 0.000 2.322 810 A HA 0.822 5.142 4.320 -0.000 0.000 0.269 810 A C 1.305 178.820 177.584 -0.115 0.000 1.094 810 A CA 1.031 53.040 52.037 -0.047 0.000 0.807 810 A CB 0.992 19.995 19.000 0.006 0.000 1.047 810 A HN 0.724 nan 8.150 nan 0.000 0.487 811 S N -0.790 114.785 115.700 -0.209 0.000 2.499 811 S HA 0.214 4.684 4.470 -0.000 0.000 0.225 811 S C 0.685 175.061 174.600 -0.374 0.000 1.050 811 S CA 0.751 58.793 58.200 -0.263 0.000 0.928 811 S CB -0.011 63.016 63.200 -0.289 0.000 0.803 811 S HN 1.160 nan 8.310 nan 0.000 0.506 812 V N -0.270 119.380 119.914 -0.440 0.000 3.074 812 V HA 0.720 4.840 4.120 -0.000 0.000 0.314 812 V C -1.427 174.531 176.094 -0.228 0.000 1.117 812 V CA -1.193 60.828 62.300 -0.464 0.000 1.014 812 V CB 1.672 32.936 31.823 -0.932 0.000 1.057 812 V HN 0.154 nan 8.190 nan 0.000 0.438 813 L N 1.868 123.051 121.223 -0.067 0.000 2.372 813 L HA 0.586 4.926 4.340 -0.000 0.000 0.274 813 L C -0.255 176.690 176.870 0.125 0.000 0.988 813 L CA -0.404 54.405 54.840 -0.052 0.000 0.833 813 L CB 1.655 43.609 42.059 -0.176 0.000 1.236 813 L HN 0.707 nan 8.230 nan 0.000 0.410 814 Q N 2.377 122.220 119.800 0.071 0.000 2.235 814 Q HA 0.658 4.998 4.340 -0.000 0.000 0.250 814 Q C -0.954 175.071 176.000 0.043 0.000 0.909 814 Q CA -0.620 55.222 55.803 0.064 0.000 0.910 814 Q CB 3.013 31.793 28.738 0.071 0.000 1.223 814 Q HN 0.402 nan 8.270 nan 0.000 0.432 815 V N 1.292 121.256 119.914 0.083 0.000 2.709 815 V HA 0.302 4.422 4.120 -0.000 0.000 0.308 815 V C -0.232 175.882 176.094 0.033 0.000 1.062 815 V CA -0.603 61.776 62.300 0.132 0.000 0.901 815 V CB 1.622 33.688 31.823 0.406 0.000 1.003 815 V HN 1.113 nan 8.190 nan 0.000 0.425 816 C N 2.277 121.601 119.300 0.040 0.000 3.066 816 C HA 0.104 4.564 4.460 -0.000 0.000 0.277 816 C C 2.623 177.609 174.990 -0.006 0.000 2.279 816 C CA 1.282 60.290 59.018 -0.015 0.000 1.720 816 C CB 0.544 28.264 27.740 -0.032 0.000 1.478 816 C HN 0.829 nan 8.230 nan 0.000 0.723 817 S N 1.650 117.373 115.700 0.038 0.000 2.387 817 S HA -0.133 4.337 4.470 -0.000 0.000 0.230 817 S C 1.964 176.665 174.600 0.170 0.000 1.035 817 S CA 1.813 60.071 58.200 0.098 0.000 1.014 817 S CB -0.600 62.772 63.200 0.288 0.000 0.836 817 S HN 0.875 nan 8.310 nan 0.000 0.466 818 A N 0.643 123.576 122.820 0.188 0.000 1.972 818 A HA -0.020 4.300 4.320 -0.000 0.000 0.219 818 A C 2.268 179.962 177.584 0.185 0.000 1.169 818 A CA 1.321 53.495 52.037 0.229 0.000 0.635 818 A CB -0.565 18.626 19.000 0.319 0.000 0.810 818 A HN 0.378 nan 8.150 nan 0.000 0.446 819 V N -0.390 119.601 119.914 0.128 0.000 2.488 819 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 819 V C 2.507 178.558 176.094 -0.071 0.000 1.046 819 V CA 1.845 64.167 62.300 0.037 0.000 1.053 819 V CB -0.767 31.050 31.823 -0.011 0.000 0.679 819 V HN 0.614 nan 8.190 nan 0.000 0.458 820 Q N 0.037 119.768 119.800 -0.114 0.000 2.170 820 Q HA -0.187 4.153 4.340 -0.000 0.000 0.203 820 Q C 1.907 177.878 176.000 -0.049 0.000 0.976 820 Q CA 1.309 56.978 55.803 -0.222 0.000 0.858 820 Q CB -0.219 28.169 28.738 -0.583 0.000 0.907 820 Q HN 0.571 nan 8.270 nan 0.000 0.433 821 N N -0.484 118.282 118.700 0.110 0.000 2.494 821 N HA -0.071 4.669 4.740 -0.000 0.000 0.182 821 N C 0.968 176.535 175.510 0.094 0.000 1.076 821 N CA 0.737 53.907 53.050 0.199 0.000 0.908 821 N CB 0.514 39.144 38.487 0.239 0.000 0.967 821 N HN 0.194 nan 8.380 nan 0.000 0.449 822 Q N -0.069 119.754 119.800 0.038 0.000 2.012 822 Q HA 0.180 4.520 4.340 -0.000 0.000 0.206 822 Q C -1.495 174.469 176.000 -0.059 0.000 0.627 822 Q CA 0.099 55.906 55.803 0.007 0.000 0.597 822 Q CB 0.561 29.319 28.738 0.032 0.000 2.100 822 Q HN 0.207 nan 8.270 nan 0.000 0.196 823 D N -2.261 118.102 120.400 -0.061 0.000 2.738 823 D HA 0.195 4.835 4.640 -0.000 0.000 0.308 823 D C -0.242 176.053 176.300 -0.007 0.000 1.311 823 D CA -0.611 53.295 54.000 -0.157 0.000 0.799 823 D CB -0.557 40.175 40.800 -0.115 0.000 1.332 823 D HN 0.236 nan 8.370 nan 0.000 0.441 824 F N -0.287 119.706 119.950 0.072 0.000 2.333 824 F HA -0.102 4.424 4.527 -0.000 0.000 0.300 824 F C 2.584 178.547 175.800 0.272 0.000 1.083 824 F CA 1.149 59.286 58.000 0.228 0.000 1.395 824 F CB -0.087 38.996 39.000 0.139 0.000 1.056 824 F HN 0.559 nan 8.300 nan 0.000 0.529 825 T N -1.882 112.819 114.554 0.244 0.000 3.025 825 T HA -0.126 4.224 4.350 -0.000 0.000 0.270 825 T C 1.840 176.478 174.700 -0.102 0.000 1.126 825 T CA 1.016 63.160 62.100 0.074 0.000 1.105 825 T CB -1.165 67.720 68.868 0.029 0.000 0.884 825 T HN 0.270 nan 8.240 nan 0.000 0.522 826 V N -0.491 119.334 119.914 -0.149 0.000 2.828 826 V HA -0.052 4.068 4.120 -0.000 0.000 0.260 826 V C 2.318 177.795 176.094 -1.028 0.000 1.101 826 V CA 1.182 63.171 62.300 -0.518 0.000 1.123 826 V CB -1.425 30.087 31.823 -0.518 0.000 0.704 826 V HN 0.461 nan 8.190 nan 0.000 0.493 827 I N 0.948 121.000 120.570 -0.863 0.000 2.264 827 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 827 I C 2.511 178.235 176.117 -0.656 0.000 1.111 827 I CA 2.243 62.860 61.300 -1.139 0.000 1.382 827 I CB -0.686 36.532 38.000 -1.304 0.000 1.060 827 I HN 0.474 nan 8.210 nan 0.000 0.418 828 Q N 0.314 119.875 119.800 -0.400 0.000 2.124 828 Q HA -0.291 4.048 4.340 -0.000 0.000 0.202 828 Q C 1.902 177.783 176.000 -0.199 0.000 0.977 828 Q CA 2.409 58.079 55.803 -0.222 0.000 0.850 828 Q CB -0.454 28.206 28.738 -0.129 0.000 0.901 828 Q HN 0.709 nan 8.270 nan 0.000 0.429 829 D N -0.891 119.353 120.400 -0.260 0.000 2.117 829 D HA -0.162 4.478 4.640 -0.000 0.000 0.198 829 D C 1.813 178.081 176.300 -0.054 0.000 0.982 829 D CA 1.357 55.276 54.000 -0.134 0.000 0.828 829 D CB -0.302 40.424 40.800 -0.123 0.000 0.967 829 D HN 0.445 nan 8.370 nan 0.000 0.464 830 Y N -0.256 119.798 120.300 -0.409 0.000 2.181 830 Y HA -0.199 4.351 4.550 -0.000 0.000 0.288 830 Y C 2.793 178.432 175.900 -0.435 0.000 1.146 830 Y CA 0.455 58.147 58.100 -0.681 0.000 1.164 830 Y CB -0.272 37.233 38.460 -1.592 0.000 0.982 830 Y HN 0.193 nan 8.280 nan 0.000 0.515 831 C N -0.148 119.059 119.300 -0.156 0.000 2.453 831 C HA -0.165 4.295 4.460 -0.000 0.000 0.277 831 C C 2.965 178.017 174.990 0.103 0.000 1.262 831 C CA 1.794 60.844 59.018 0.053 0.000 1.718 831 C CB -1.225 26.529 27.740 0.023 0.000 2.031 831 C HN 0.671 nan 8.230 nan 0.000 0.480 832 T N -0.665 113.940 114.554 0.084 0.000 2.867 832 T HA -0.027 4.323 4.350 -0.000 0.000 0.268 832 T C 1.919 176.754 174.700 0.224 0.000 1.057 832 T CA 1.771 63.983 62.100 0.186 0.000 1.136 832 T CB -0.740 68.234 68.868 0.176 0.000 0.874 832 T HN 0.526 nan 8.240 nan 0.000 0.466 833 G N 1.370 110.266 108.800 0.159 0.000 2.402 833 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.216 833 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.216 833 G C 1.436 176.424 174.900 0.146 0.000 1.162 833 G CA 0.820 46.012 45.100 0.154 0.000 0.777 833 G HN 0.451 nan 8.290 nan 0.000 0.539 834 L N 0.565 121.890 121.223 0.170 0.000 2.093 834 L HA 0.145 4.485 4.340 -0.000 0.000 0.208 834 L C 2.698 179.642 176.870 0.124 0.000 1.085 834 L CA 1.752 56.696 54.840 0.175 0.000 0.755 834 L CB -0.470 41.757 42.059 0.279 0.000 0.904 834 L HN 0.121 nan 8.230 nan 0.000 0.435 835 K N -0.684 119.786 120.400 0.117 0.000 2.063 835 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 835 K C 2.068 178.687 176.600 0.031 0.000 1.048 835 K CA 1.390 57.719 56.287 0.070 0.000 0.928 835 K CB -0.369 32.162 32.500 0.051 0.000 0.713 835 K HN 0.463 nan 8.250 nan 0.000 0.442 836 A N 1.337 124.157 122.820 -0.000 0.000 1.898 836 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 836 A C 2.126 179.767 177.584 0.095 0.000 1.181 836 A CA 1.169 53.183 52.037 -0.040 0.000 0.620 836 A CB -0.600 18.407 19.000 0.011 0.000 0.819 836 A HN 0.150 nan 8.150 nan 0.000 0.442 837 L N -0.605 120.681 121.223 0.104 0.000 2.046 837 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 837 L C 2.559 179.483 176.870 0.091 0.000 1.077 837 L CA 1.131 56.035 54.840 0.106 0.000 0.747 837 L CB -0.484 41.630 42.059 0.091 0.000 0.896 837 L HN 0.386 nan 8.230 nan 0.000 0.432 838 L N -1.963 119.311 121.223 0.084 0.000 2.072 838 L HA -0.240 4.100 4.340 -0.000 0.000 0.205 838 L C 2.595 179.506 176.870 0.069 0.000 1.079 838 L CA 1.167 56.048 54.840 0.067 0.000 0.752 838 L CB -0.694 41.403 42.059 0.062 0.000 0.906 838 L HN 0.185 nan 8.230 nan 0.000 0.436 839 Y N 1.032 121.312 120.300 -0.033 0.000 2.128 839 Y HA -0.256 4.294 4.550 -0.000 0.000 0.284 839 Y C 2.371 178.238 175.900 -0.054 0.000 1.154 839 Y CA 1.569 59.637 58.100 -0.054 0.000 1.149 839 Y CB -0.227 38.175 38.460 -0.098 0.000 0.976 839 Y HN -0.008 nan 8.280 nan 0.000 0.505 840 L N 0.175 121.435 121.223 0.062 0.000 2.261 840 L HA -0.242 4.098 4.340 -0.000 0.000 0.216 840 L C 2.160 178.955 176.870 -0.125 0.000 1.114 840 L CA 1.444 56.256 54.840 -0.046 0.000 0.777 840 L CB -0.490 41.595 42.059 0.043 0.000 0.910 840 L HN 0.193 nan 8.230 nan 0.000 0.440 841 K N -0.251 120.101 120.400 -0.080 0.000 2.362 841 K HA -0.091 4.229 4.320 -0.000 0.000 0.200 841 K C 2.060 178.582 176.600 -0.130 0.000 1.046 841 K CA 1.357 57.602 56.287 -0.070 0.000 0.952 841 K CB -0.042 32.448 32.500 -0.015 0.000 0.753 841 K HN 0.363 nan 8.250 nan 0.000 0.466 842 S N 0.065 115.634 115.700 -0.218 0.000 2.535 842 S HA 0.111 4.581 4.470 -0.000 0.000 0.214 842 S C 0.629 175.063 174.600 -0.277 0.000 0.980 842 S CA -0.317 57.737 58.200 -0.243 0.000 0.907 842 S CB 0.174 63.194 63.200 -0.300 0.000 0.790 842 S HN -0.029 nan 8.310 nan 0.000 0.510 843 I N 3.153 123.540 120.570 -0.306 0.000 2.281 843 I HA 0.305 4.475 4.170 -0.000 0.000 0.293 843 I C 1.425 177.357 176.117 -0.309 0.000 1.085 843 I CA -0.223 60.891 61.300 -0.311 0.000 1.257 843 I CB 0.410 38.227 38.000 -0.305 0.000 1.430 843 I HN 0.429 nan 8.210 nan 0.000 0.489 844 E N 5.731 125.760 120.200 -0.284 0.000 2.118 844 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 844 E C 1.255 177.664 176.600 -0.319 0.000 0.992 844 E CA 1.437 57.686 56.400 -0.252 0.000 0.804 844 E CB 0.433 30.013 29.700 -0.201 0.000 0.741 844 E HN 0.622 nan 8.360 nan 0.000 0.458 845 E N 0.260 120.149 120.200 -0.518 0.000 2.516 845 E HA -0.127 4.223 4.350 -0.000 0.000 0.199 845 E C 1.366 177.672 176.600 -0.490 0.000 1.069 845 E CA 0.468 56.514 56.400 -0.590 0.000 0.876 845 E CB 0.024 29.077 29.700 -1.079 0.000 0.843 845 E HN 0.428 nan 8.360 nan 0.000 0.530 846 L N 0.689 121.623 121.223 -0.482 0.000 3.066 846 L HA 0.199 4.539 4.340 -0.000 0.000 0.265 846 L C 1.700 178.404 176.870 -0.276 0.000 1.232 846 L CA -0.121 54.386 54.840 -0.554 0.000 1.031 846 L CB 0.174 41.709 42.059 -0.873 0.000 1.379 846 L HN -0.085 nan 8.230 nan 0.000 0.563 847 Q N 0.483 120.194 119.800 -0.148 0.000 2.364 847 Q HA -0.079 4.261 4.340 -0.000 0.000 0.207 847 Q C 2.095 178.131 176.000 0.061 0.000 0.970 847 Q CA 1.256 57.033 55.803 -0.044 0.000 0.888 847 Q CB 0.036 28.739 28.738 -0.058 0.000 0.951 847 Q HN 0.621 nan 8.270 nan 0.000 0.469 848 G N -0.559 108.319 108.800 0.131 0.000 2.744 848 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.211 848 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.211 848 G C -0.309 174.786 174.900 0.324 0.000 1.143 848 G CA -0.381 44.839 45.100 0.200 0.000 0.788 848 G HN 0.097 nan 8.290 nan 0.000 0.534 849 W N 0.346 121.664 121.300 0.031 0.000 2.161 849 W HA 0.472 5.131 4.660 -0.000 0.000 0.344 849 W C -0.403 176.149 176.519 0.054 0.000 1.262 849 W CA -1.356 56.024 57.345 0.058 0.000 1.270 849 W CB 0.670 30.177 29.460 0.077 0.000 1.126 849 W HN -0.085 nan 8.180 nan 0.000 0.598 850 D N 0.649 121.212 120.400 0.271 0.000 2.473 850 D HA 0.410 5.050 4.640 -0.000 0.000 0.226 850 D C 0.830 177.258 176.300 0.214 0.000 1.089 850 D CA 0.748 54.856 54.000 0.180 0.000 0.883 850 D CB 0.071 40.936 40.800 0.109 0.000 1.029 850 D HN 0.548 nan 8.370 nan 0.000 0.517 851 G N 3.930 112.865 108.800 0.225 0.000 2.561 851 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.289 851 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.289 851 G C 0.720 175.827 174.900 0.345 0.000 1.169 851 G CA 0.333 45.564 45.100 0.219 0.000 0.980 851 G HN 0.539 nan 8.290 nan 0.000 0.550 852 Q N 0.523 120.503 119.800 0.301 0.000 2.365 852 Q HA 0.308 4.648 4.340 -0.000 0.000 0.203 852 Q C 0.457 176.749 176.000 0.488 0.000 0.929 852 Q CA 0.498 56.570 55.803 0.448 0.000 0.948 852 Q CB 0.384 29.267 28.738 0.241 0.000 1.043 852 Q HN 0.310 nan 8.270 nan 0.000 0.505 853 S N 2.592 118.480 115.700 0.313 0.000 2.422 853 S HA 0.311 4.781 4.470 -0.000 0.000 0.298 853 S C -2.318 172.063 174.600 -0.365 0.000 1.118 853 S CA -1.161 57.106 58.200 0.112 0.000 1.083 853 S CB 1.031 64.328 63.200 0.161 0.000 0.971 853 S HN 0.032 nan 8.310 nan 0.000 0.478 854 P HA 0.157 nan 4.420 nan 0.000 0.272 854 P C 0.327 177.251 177.300 -0.627 0.000 1.230 854 P CA -0.223 61.858 63.100 -1.698 0.000 0.788 854 P CB 0.361 31.248 31.700 -1.355 0.000 0.949 855 G N 0.987 109.545 108.800 -0.402 0.000 2.353 855 G HA2 0.111 4.071 3.960 -0.000 0.000 0.239 855 G HA3 0.111 4.071 3.960 -0.000 0.000 0.239 855 G C -0.218 174.629 174.900 -0.087 0.000 1.295 855 G CA -0.059 44.974 45.100 -0.111 0.000 0.884 855 G HN 0.358 nan 8.290 nan 0.000 0.537 856 T N 3.278 117.815 114.554 -0.029 0.000 2.817 856 T HA 0.150 4.499 4.350 -0.000 0.000 0.295 856 T C 0.300 175.020 174.700 0.034 0.000 0.958 856 T CA 0.125 62.235 62.100 0.018 0.000 1.157 856 T CB 0.669 69.562 68.868 0.042 0.000 0.898 856 T HN 0.476 nan 8.240 nan 0.000 0.536 857 E N 2.216 122.454 120.200 0.063 0.000 2.277 857 E HA 0.267 4.617 4.350 -0.000 0.000 0.274 857 E C 0.042 176.687 176.600 0.075 0.000 1.022 857 E CA -0.494 55.943 56.400 0.061 0.000 0.853 857 E CB 1.122 30.860 29.700 0.063 0.000 1.086 857 E HN 0.468 nan 8.360 nan 0.000 0.397 858 S N 2.098 117.811 115.700 0.023 0.000 2.544 858 S HA 0.109 4.579 4.470 -0.000 0.000 0.290 858 S C 0.009 174.624 174.600 0.025 0.000 1.276 858 S CA 0.279 58.460 58.200 -0.031 0.000 1.075 858 S CB -0.268 62.919 63.200 -0.022 0.000 0.849 858 S HN 0.534 nan 8.310 nan 0.000 0.494 859 H N 0.427 119.503 119.070 0.010 0.000 2.960 859 H HA 0.686 5.242 4.556 -0.000 0.000 0.323 859 H C -1.510 173.826 175.328 0.014 0.000 1.326 859 H CA -1.033 55.022 56.048 0.013 0.000 1.124 859 H CB 0.852 30.622 29.762 0.012 0.000 1.853 859 H HN 0.319 nan 8.280 nan 0.000 0.536 860 Q N 0.867 120.862 119.800 0.326 0.000 2.263 860 Q HA 0.271 4.611 4.340 -0.000 0.000 0.266 860 Q C -0.791 175.349 176.000 0.232 0.000 1.002 860 Q CA -0.676 55.270 55.803 0.237 0.000 0.790 860 Q CB 2.108 30.907 28.738 0.101 0.000 1.272 860 Q HN 0.890 nan 8.270 nan 0.000 0.435 861 K N 0.988 121.515 120.400 0.211 0.000 3.069 861 K HA -0.287 4.033 4.320 -0.000 0.000 0.267 861 K C 0.661 177.238 176.600 -0.037 0.000 1.082 861 K CA 0.782 57.109 56.287 0.066 0.000 0.782 861 K CB -1.534 30.990 32.500 0.040 0.000 1.230 861 K HN 1.149 nan 8.250 nan 0.000 0.488 862 G N -0.005 108.666 108.800 -0.215 0.000 2.205 862 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.261 862 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.261 862 G C -0.055 174.754 174.900 -0.152 0.000 0.980 862 G CA 0.904 45.763 45.100 -0.402 0.000 0.632 862 G HN 0.343 nan 8.290 nan 0.000 0.533 863 K N 1.251 121.649 120.400 -0.003 0.000 2.185 863 K HA 0.476 4.796 4.320 -0.000 0.000 0.269 863 K C -2.590 174.072 176.600 0.104 0.000 0.987 863 K CA -2.096 54.221 56.287 0.050 0.000 0.865 863 K CB 1.630 34.163 32.500 0.055 0.000 1.090 863 K HN -0.032 nan 8.250 nan 0.000 0.450 864 P HA -0.086 nan 4.420 nan 0.000 0.262 864 P C -0.619 176.728 177.300 0.078 0.000 1.182 864 P CA -0.080 63.076 63.100 0.093 0.000 0.761 864 P CB 0.417 32.157 31.700 0.067 0.000 0.795 865 V N 6.732 126.688 119.914 0.070 0.000 2.555 865 V HA 0.150 4.270 4.120 -0.000 0.000 0.286 865 V C -1.451 174.664 176.094 0.034 0.000 1.044 865 V CA -1.287 61.039 62.300 0.044 0.000 1.026 865 V CB 0.216 32.054 31.823 0.024 0.000 0.981 865 V HN 0.622 nan 8.190 nan 0.000 0.480 866 P HA 0.077 nan 4.420 nan 0.000 0.264 866 P C -0.302 177.009 177.300 0.018 0.000 1.193 866 P CA -0.214 62.901 63.100 0.026 0.000 0.763 866 P CB 0.558 32.271 31.700 0.022 0.000 0.810 867 R N 3.544 124.056 120.500 0.020 0.000 4.518 867 R HA 0.277 4.617 4.340 -0.000 0.000 0.243 867 R C 0.035 176.342 176.300 0.012 0.000 1.720 867 R CA -0.375 55.734 56.100 0.015 0.000 1.526 867 R CB -0.775 29.536 30.300 0.018 0.000 1.425 867 R HN 0.502 nan 8.270 nan 0.000 0.787 868 I N 1.081 121.656 120.570 0.008 0.000 2.365 868 I HA 0.135 4.305 4.170 -0.000 0.000 0.291 868 I C 1.470 177.588 176.117 0.001 0.000 1.004 868 I CA -0.405 60.898 61.300 0.005 0.000 1.311 868 I CB 1.815 39.817 38.000 0.004 0.000 1.401 868 I HN 0.348 nan 8.210 nan 0.000 0.491 869 A N 5.674 128.494 122.820 0.001 0.000 1.948 869 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 869 A C 1.619 179.200 177.584 -0.005 0.000 1.177 869 A CA 1.405 53.441 52.037 -0.002 0.000 0.636 869 A CB -0.417 18.583 19.000 -0.001 0.000 0.815 869 A HN 0.831 nan 8.150 nan 0.000 0.449 870 E N -0.916 119.281 120.200 -0.006 0.000 2.320 870 E HA 0.204 4.554 4.350 -0.000 0.000 0.189 870 E C 0.543 177.136 176.600 -0.013 0.000 1.100 870 E CA -0.006 56.389 56.400 -0.010 0.000 1.009 870 E CB 0.142 29.837 29.700 -0.010 0.000 1.145 870 E HN 0.442 nan 8.360 nan 0.000 0.454 871 L N -0.162 121.054 121.223 -0.013 0.000 2.678 871 L HA 0.222 4.562 4.340 -0.000 0.000 0.211 871 L C 0.505 177.363 176.870 -0.021 0.000 1.043 871 L CA 0.450 55.279 54.840 -0.017 0.000 0.881 871 L CB 0.119 42.170 42.059 -0.013 0.000 1.361 871 L HN 0.064 nan 8.230 nan 0.000 0.484 872 M N 1.099 120.690 119.600 -0.015 0.000 2.390 872 M HA 0.237 4.717 4.480 -0.000 0.000 0.353 872 M C 1.315 177.604 176.300 -0.019 0.000 1.623 872 M CA 1.071 56.361 55.300 -0.016 0.000 1.065 872 M CB -1.397 31.197 32.600 -0.010 0.000 2.025 872 M HN 0.500 nan 8.290 nan 0.000 0.461 873 G N 3.306 112.091 108.800 -0.025 0.000 2.136 873 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.242 873 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.242 873 G C 0.857 175.737 174.900 -0.032 0.000 0.989 873 G CA -0.088 44.996 45.100 -0.026 0.000 0.682 873 G HN 0.611 nan 8.290 nan 0.000 0.522 874 K N 0.464 120.841 120.400 -0.038 0.000 2.426 874 K HA 0.163 4.483 4.320 -0.000 0.000 0.193 874 K C 1.274 177.837 176.600 -0.063 0.000 1.028 874 K CA 0.422 56.685 56.287 -0.040 0.000 1.047 874 K CB 0.038 32.518 32.500 -0.033 0.000 0.821 874 K HN 0.654 nan 8.250 nan 0.000 0.513 875 K N 0.934 121.282 120.400 -0.086 0.000 3.244 875 K HA -0.161 4.159 4.320 -0.000 0.000 0.270 875 K C -0.735 175.727 176.600 -0.230 0.000 1.016 875 K CA 0.301 56.502 56.287 -0.143 0.000 0.754 875 K CB -1.791 30.632 32.500 -0.128 0.000 1.326 875 K HN 0.133 nan 8.250 nan 0.000 0.465 876 L N 1.517 122.624 121.223 -0.194 0.000 2.335 876 L HA 0.324 4.664 4.340 -0.000 0.000 0.268 876 L C -1.602 175.107 176.870 -0.268 0.000 1.037 876 L CA -1.913 52.800 54.840 -0.211 0.000 0.895 876 L CB 0.635 42.649 42.059 -0.075 0.000 1.266 876 L HN -0.005 nan 8.230 nan 0.000 0.439 877 P HA 0.025 nan 4.420 nan 0.000 0.273 877 P C -0.607 176.497 177.300 -0.327 0.000 1.250 877 P CA -0.416 62.438 63.100 -0.410 0.000 0.793 877 P CB 0.853 32.173 31.700 -0.634 0.000 1.011 878 N N 0.794 119.433 118.700 -0.101 0.000 3.091 878 N HA 0.175 4.915 4.740 -0.000 0.000 0.301 878 N C -0.363 175.230 175.510 0.138 0.000 1.325 878 N CA 0.278 53.332 53.050 0.007 0.000 1.143 878 N CB -0.864 37.663 38.487 0.065 0.000 1.450 878 N HN 0.394 nan 8.380 nan 0.000 0.542 879 F N -3.136 116.843 119.950 0.049 0.000 2.773 879 F HA 0.629 5.156 4.527 -0.000 0.000 0.314 879 F C 0.700 176.483 175.800 -0.027 0.000 1.160 879 F CA -0.729 57.289 58.000 0.030 0.000 0.920 879 F CB 0.427 39.470 39.000 0.072 0.000 1.323 879 F HN 0.105 nan 8.300 nan 0.000 0.457 880 G N 1.070 109.997 108.800 0.213 0.000 2.581 880 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.291 880 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.291 880 G C -1.575 173.165 174.900 -0.268 0.000 1.277 880 G CA 0.174 45.225 45.100 -0.082 0.000 0.959 880 G HN 0.834 nan 8.290 nan 0.000 0.554 881 P HA -0.111 nan 4.420 nan 0.000 0.220 881 P C 1.353 178.369 177.300 -0.473 0.000 1.148 881 P CA 2.258 65.068 63.100 -0.484 0.000 0.803 881 P CB -0.164 31.187 31.700 -0.582 0.000 0.782 882 Y N -0.108 119.985 120.300 -0.344 0.000 2.200 882 Y HA -0.125 4.425 4.550 -0.000 0.000 0.290 882 Y C 2.656 178.405 175.900 -0.251 0.000 1.137 882 Y CA 0.316 58.217 58.100 -0.332 0.000 1.163 882 Y CB -1.358 36.797 38.460 -0.509 0.000 0.988 882 Y HN -0.124 nan 8.280 nan 0.000 0.518 883 L N 0.817 121.981 121.223 -0.098 0.000 2.083 883 L HA -0.194 4.145 4.340 -0.000 0.000 0.209 883 L C 1.933 178.764 176.870 -0.065 0.000 1.083 883 L CA 1.761 56.562 54.840 -0.065 0.000 0.752 883 L CB -0.625 41.416 42.059 -0.031 0.000 0.899 883 L HN 0.210 nan 8.230 nan 0.000 0.433 884 E N -0.976 119.167 120.200 -0.094 0.000 2.077 884 E HA -0.269 4.081 4.350 -0.000 0.000 0.193 884 E C 2.151 178.704 176.600 -0.077 0.000 0.989 884 E CA 1.452 57.800 56.400 -0.087 0.000 0.800 884 E CB -0.196 29.437 29.700 -0.113 0.000 0.746 884 E HN 0.662 nan 8.360 nan 0.000 0.452 885 Q N 0.442 120.190 119.800 -0.086 0.000 2.084 885 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 885 Q C 2.263 178.236 176.000 -0.045 0.000 0.978 885 Q CA 1.052 56.817 55.803 -0.064 0.000 0.844 885 Q CB -0.070 28.634 28.738 -0.058 0.000 0.898 885 Q HN 0.204 nan 8.270 nan 0.000 0.426 886 R N 0.792 121.267 120.500 -0.041 0.000 2.083 886 R HA -0.142 4.198 4.340 -0.000 0.000 0.237 886 R C 2.228 178.511 176.300 -0.029 0.000 1.137 886 R CA 1.396 57.476 56.100 -0.032 0.000 0.951 886 R CB -0.177 30.104 30.300 -0.032 0.000 0.851 886 R HN 0.161 nan 8.270 nan 0.000 0.434 887 K N 0.717 121.097 120.400 -0.033 0.000 2.097 887 K HA -0.182 4.138 4.320 -0.000 0.000 0.206 887 K C 2.137 178.719 176.600 -0.031 0.000 1.049 887 K CA 1.255 57.524 56.287 -0.030 0.000 0.933 887 K CB -0.102 32.378 32.500 -0.033 0.000 0.717 887 K HN 0.104 nan 8.250 nan 0.000 0.442 888 K N 1.398 121.777 120.400 -0.035 0.000 2.057 888 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 888 K C 2.020 178.604 176.600 -0.026 0.000 1.049 888 K CA 1.198 57.465 56.287 -0.033 0.000 0.931 888 K CB -0.038 32.439 32.500 -0.039 0.000 0.714 888 K HN 0.056 nan 8.250 nan 0.000 0.440 889 I N 0.986 121.541 120.570 -0.025 0.000 2.226 889 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 889 I C 2.238 178.347 176.117 -0.013 0.000 1.100 889 I CA 1.112 62.401 61.300 -0.018 0.000 1.374 889 I CB -0.186 37.803 38.000 -0.018 0.000 1.057 889 I HN 0.190 nan 8.210 nan 0.000 0.413 890 I N 0.784 121.346 120.570 -0.014 0.000 2.252 890 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 890 I C 2.820 178.932 176.117 -0.009 0.000 1.102 890 I CA 1.293 62.588 61.300 -0.008 0.000 1.385 890 I CB -0.482 37.513 38.000 -0.008 0.000 1.064 890 I HN 0.170 nan 8.210 nan 0.000 0.414 891 A N 0.538 123.348 122.820 -0.017 0.000 1.902 891 A HA -0.231 4.088 4.320 -0.000 0.000 0.217 891 A C 2.198 179.775 177.584 -0.012 0.000 1.181 891 A CA 1.736 53.761 52.037 -0.020 0.000 0.623 891 A CB -0.583 18.401 19.000 -0.027 0.000 0.818 891 A HN 0.453 nan 8.150 nan 0.000 0.443 892 E N -0.895 119.298 120.200 -0.011 0.000 2.106 892 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 892 E C 2.031 178.631 176.600 -0.001 0.000 0.984 892 E CA 1.208 57.604 56.400 -0.007 0.000 0.806 892 E CB -0.077 29.617 29.700 -0.010 0.000 0.750 892 E HN 0.710 nan 8.360 nan 0.000 0.458 893 E N 1.318 121.519 120.200 0.001 0.000 2.072 893 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 893 E C 1.701 178.310 176.600 0.016 0.000 0.985 893 E CA 1.211 57.616 56.400 0.008 0.000 0.801 893 E CB 0.140 29.845 29.700 0.009 0.000 0.750 893 E HN -0.064 nan 8.360 nan 0.000 0.452 894 K N -0.141 120.269 120.400 0.017 0.000 2.097 894 K HA -0.078 4.242 4.320 -0.000 0.000 0.206 894 K C 1.932 178.551 176.600 0.031 0.000 1.049 894 K CA 1.127 57.433 56.287 0.031 0.000 0.933 894 K CB -0.293 32.219 32.500 0.021 0.000 0.717 894 K HN 0.309 nan 8.250 nan 0.000 0.442 895 M N 0.070 119.680 119.600 0.016 0.000 2.254 895 M HA -0.050 4.430 4.480 -0.000 0.000 0.265 895 M C 2.102 178.411 176.300 0.015 0.000 1.066 895 M CA 1.172 56.481 55.300 0.016 0.000 1.123 895 M CB -0.761 31.843 32.600 0.007 0.000 1.388 895 M HN 0.101 nan 8.290 nan 0.000 0.425 896 R N 0.417 120.924 120.500 0.012 0.000 2.075 896 R HA -0.057 4.282 4.340 -0.000 0.000 0.232 896 R C 2.194 178.500 176.300 0.010 0.000 1.126 896 R CA 1.084 57.188 56.100 0.008 0.000 0.963 896 R CB -0.190 30.114 30.300 0.006 0.000 0.858 896 R HN 0.306 nan 8.270 nan 0.000 0.435 897 L N 0.634 121.867 121.223 0.017 0.000 2.131 897 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 897 L C 2.602 179.480 176.870 0.014 0.000 1.092 897 L CA 1.376 56.227 54.840 0.017 0.000 0.759 897 L CB -0.414 41.665 42.059 0.033 0.000 0.903 897 L HN 0.209 nan 8.230 nan 0.000 0.435 898 K N 0.628 121.043 120.400 0.025 0.000 2.148 898 K HA -0.230 4.090 4.320 -0.000 0.000 0.204 898 K C 2.006 178.611 176.600 0.008 0.000 1.050 898 K CA 1.332 57.635 56.287 0.025 0.000 0.942 898 K CB 0.037 32.561 32.500 0.039 0.000 0.724 898 K HN 0.278 nan 8.250 nan 0.000 0.446 899 E N 0.484 120.687 120.200 0.005 0.000 2.338 899 E HA -0.131 4.218 4.350 -0.000 0.000 0.197 899 E C -0.214 176.379 176.600 -0.011 0.000 1.007 899 E CA 0.545 56.944 56.400 -0.000 0.000 0.849 899 E CB 0.307 30.008 29.700 0.002 0.000 0.774 899 E HN 0.344 nan 8.360 nan 0.000 0.506 900 Q N 1.220 121.010 119.800 -0.017 0.000 2.508 900 Q HA 0.215 4.555 4.340 -0.000 0.000 0.247 900 Q C -0.843 175.120 176.000 -0.062 0.000 1.047 900 Q CA -0.346 55.438 55.803 -0.032 0.000 0.783 900 Q CB 1.204 29.928 28.738 -0.023 0.000 1.172 900 Q HN 0.195 nan 8.270 nan 0.000 0.515 909 R N 2.333 122.827 120.500 -0.011 0.000 2.196 909 R HA 0.243 4.583 4.340 -0.000 0.000 0.340 909 R C -0.800 175.468 176.300 -0.052 0.000 1.043 909 R CA -0.218 55.857 56.100 -0.040 0.000 0.883 909 R CB 0.682 30.963 30.300 -0.031 0.000 1.078 909 R HN 0.281 nan 8.270 nan 0.000 0.462 910 K N 6.077 126.431 120.400 -0.076 0.000 2.345 910 K HA 0.416 4.736 4.320 -0.000 0.000 0.255 910 K C -2.653 173.865 176.600 -0.137 0.000 0.934 910 K CA -2.207 54.042 56.287 -0.063 0.000 0.801 910 K CB 2.061 34.555 32.500 -0.010 0.000 1.137 910 K HN 0.354 nan 8.250 nan 0.000 0.424 911 P HA 0.081 nan 4.420 nan 0.000 0.271 911 P C -0.704 176.592 177.300 -0.006 0.000 1.216 911 P CA 0.131 63.148 63.100 -0.137 0.000 0.776 911 P CB 0.286 31.954 31.700 -0.052 0.000 0.881 912 F N 2.035 121.967 119.950 -0.031 0.000 2.429 912 F HA 0.292 4.818 4.527 -0.000 0.000 0.348 912 F C 1.002 176.783 175.800 -0.031 0.000 1.109 912 F CA -0.550 57.421 58.000 -0.049 0.000 1.232 912 F CB 0.455 39.403 39.000 -0.086 0.000 1.157 912 F HN 0.018 nan 8.300 nan 0.000 0.564 913 I N 4.042 124.700 120.570 0.147 0.000 2.433 913 I HA 0.286 4.456 4.170 -0.000 0.000 0.292 913 I C -2.365 173.729 176.117 -0.038 0.000 1.001 913 I CA -2.448 58.884 61.300 0.054 0.000 1.119 913 I CB 1.815 39.837 38.000 0.036 0.000 1.289 913 I HN 0.255 nan 8.210 nan 0.000 0.438 914 P HA 0.020 nan 4.420 nan 0.000 0.262 914 P C -0.440 176.791 177.300 -0.115 0.000 1.182 914 P CA 0.177 63.170 63.100 -0.178 0.000 0.761 914 P CB 0.372 31.951 31.700 -0.200 0.000 0.795 915 K N 2.726 123.049 120.400 -0.128 0.000 2.455 915 K HA 0.144 4.464 4.320 -0.000 0.000 0.206 915 K C 0.256 176.805 176.600 -0.086 0.000 1.027 915 K CA -0.113 56.118 56.287 -0.094 0.000 1.113 915 K CB 0.202 32.642 32.500 -0.099 0.000 0.850 915 K HN 0.466 nan 8.250 nan 0.000 0.503 916 K N -0.546 119.797 120.400 -0.094 0.000 2.587 916 K HA 0.366 4.686 4.320 -0.000 0.000 0.276 916 K C -3.326 173.229 176.600 -0.076 0.000 0.956 916 K CA -1.720 54.522 56.287 -0.076 0.000 0.857 916 K CB 1.053 33.508 32.500 -0.076 0.000 1.431 916 K HN -0.315 nan 8.250 nan 0.000 0.420 917 P HA 0.087 nan 4.420 nan 0.000 0.266 917 P C -0.634 176.637 177.300 -0.049 0.000 1.195 917 P CA -0.064 63.011 63.100 -0.042 0.000 0.768 917 P CB 0.351 32.035 31.700 -0.027 0.000 0.838 918 I N 4.985 125.529 120.570 -0.042 0.000 2.471 918 I HA 0.111 4.281 4.170 -0.000 0.000 0.286 918 I C -1.734 174.378 176.117 -0.009 0.000 1.079 918 I CA -1.843 59.436 61.300 -0.036 0.000 1.398 918 I CB 0.302 38.301 38.000 -0.002 0.000 1.403 918 I HN 0.226 nan 8.210 nan 0.000 0.530 919 P HA 0.128 nan 4.420 nan 0.000 0.268 919 P C -0.591 176.718 177.300 0.015 0.000 1.205 919 P CA -0.183 62.922 63.100 0.008 0.000 0.771 919 P CB 0.687 32.398 31.700 0.018 0.000 0.858 920 A N 2.836 125.663 122.820 0.012 0.000 2.252 920 A HA 0.327 4.647 4.320 -0.000 0.000 0.305 920 A C 1.481 179.067 177.584 0.003 0.000 1.097 920 A CA -0.528 51.516 52.037 0.011 0.000 0.849 920 A CB 0.065 19.070 19.000 0.010 0.000 1.142 920 A HN 0.468 nan 8.150 nan 0.000 0.499 921 I N 0.502 121.068 120.570 -0.007 0.000 2.208 921 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 921 I C 2.433 178.533 176.117 -0.027 0.000 1.097 921 I CA 2.294 63.575 61.300 -0.032 0.000 1.363 921 I CB -1.192 36.775 38.000 -0.055 0.000 1.051 921 I HN 0.946 nan 8.210 nan 0.000 0.413 922 K N 0.524 120.914 120.400 -0.018 0.000 2.281 922 K HA -0.184 4.136 4.320 -0.000 0.000 0.203 922 K C 1.119 177.718 176.600 -0.001 0.000 1.046 922 K CA 1.609 57.888 56.287 -0.013 0.000 0.938 922 K CB -0.313 32.183 32.500 -0.007 0.000 0.737 922 K HN 0.295 nan 8.250 nan 0.000 0.458 923 D N 1.240 121.643 120.400 0.006 0.000 2.323 923 D HA -0.067 4.573 4.640 -0.000 0.000 0.209 923 D C 1.906 178.230 176.300 0.041 0.000 0.973 923 D CA 1.210 55.220 54.000 0.017 0.000 0.874 923 D CB 0.563 41.372 40.800 0.015 0.000 0.930 923 D HN 0.344 nan 8.370 nan 0.000 0.521 924 V N -1.671 118.273 119.914 0.049 0.000 3.565 924 V HA 0.217 4.337 4.120 -0.000 0.000 0.260 924 V C 1.045 177.228 176.094 0.148 0.000 1.231 924 V CA -0.254 62.121 62.300 0.125 0.000 1.100 924 V CB -0.160 31.705 31.823 0.070 0.000 0.807 924 V HN -0.103 nan 8.190 nan 0.000 0.454 925 I N 3.162 123.763 120.570 0.051 0.000 2.741 925 I HA 0.352 4.522 4.170 -0.000 0.000 0.288 925 I C 1.640 177.790 176.117 0.055 0.000 1.192 925 I CA 1.540 62.861 61.300 0.036 0.000 1.426 925 I CB 0.034 38.026 38.000 -0.012 0.000 1.367 925 I HN 0.533 nan 8.210 nan 0.000 0.563 926 G N 5.115 113.957 108.800 0.071 0.000 2.189 926 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.267 926 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.267 926 G C 1.186 176.106 174.900 0.032 0.000 0.975 926 G CA -0.030 45.098 45.100 0.046 0.000 0.644 926 G HN 0.611 nan 8.290 nan 0.000 0.537 927 K N 0.229 120.669 120.400 0.066 0.000 2.280 927 K HA 0.147 4.466 4.320 -0.000 0.000 0.202 927 K C 2.650 179.216 176.600 -0.057 0.000 1.047 927 K CA 1.434 57.715 56.287 -0.011 0.000 0.942 927 K CB -0.434 32.066 32.500 0.000 0.000 0.739 927 K HN 0.779 nan 8.250 nan 0.000 0.457 928 A N 0.756 123.576 122.820 -0.001 0.000 2.123 928 A HA 0.038 4.357 4.320 -0.000 0.000 0.214 928 A C 2.090 179.716 177.584 0.069 0.000 1.152 928 A CA 0.294 52.389 52.037 0.098 0.000 0.728 928 A CB -0.328 18.719 19.000 0.078 0.000 0.814 928 A HN 0.153 nan 8.150 nan 0.000 0.464 929 L N 0.226 121.443 121.223 -0.011 0.000 2.127 929 L HA -0.294 4.046 4.340 -0.000 0.000 0.211 929 L C 2.855 179.665 176.870 -0.100 0.000 1.089 929 L CA 1.706 56.526 54.840 -0.032 0.000 0.757 929 L CB -0.747 41.294 42.059 -0.029 0.000 0.899 929 L HN 0.717 nan 8.230 nan 0.000 0.434 930 Q N -0.407 119.249 119.800 -0.240 0.000 2.291 930 Q HA -0.217 4.123 4.340 -0.000 0.000 0.206 930 Q C 1.543 177.307 176.000 -0.394 0.000 0.976 930 Q CA 1.735 57.318 55.803 -0.367 0.000 0.875 930 Q CB -0.443 27.970 28.738 -0.542 0.000 0.927 930 Q HN 0.553 nan 8.270 nan 0.000 0.450 931 Y N 0.072 120.341 120.300 -0.051 0.000 2.500 931 Y HA 0.212 4.762 4.550 -0.000 0.000 0.270 931 Y C 0.260 176.132 175.900 -0.046 0.000 1.134 931 Y CA -0.756 57.313 58.100 -0.052 0.000 1.293 931 Y CB 0.601 39.025 38.460 -0.060 0.000 1.063 931 Y HN 0.028 nan 8.280 nan 0.000 0.534 932 L N -0.136 121.130 121.223 0.073 0.000 2.334 932 L HA 0.633 4.972 4.340 -0.000 0.000 0.277 932 L C 0.644 177.521 176.870 0.012 0.000 1.075 932 L CA 0.200 55.064 54.840 0.041 0.000 0.804 932 L CB 1.091 43.169 42.059 0.031 0.000 1.174 932 L HN 0.179 nan 8.230 nan 0.000 0.438 933 G N -0.117 108.692 108.800 0.014 0.000 2.494 933 G HA2 0.477 4.437 3.960 -0.000 0.000 0.308 933 G HA3 0.477 4.437 3.960 -0.000 0.000 0.308 933 G C -0.821 174.092 174.900 0.022 0.000 1.263 933 G CA 0.062 45.166 45.100 0.007 0.000 0.840 933 G HN 0.636 nan 8.290 nan 0.000 0.479 934 T N -1.902 112.666 114.554 0.024 0.000 2.816 934 T HA 0.408 4.758 4.350 -0.000 0.000 0.282 934 T C 1.124 175.868 174.700 0.073 0.000 0.993 934 T CA 0.170 62.306 62.100 0.061 0.000 0.994 934 T CB 1.116 70.019 68.868 0.058 0.000 1.025 934 T HN 0.646 nan 8.240 nan 0.000 0.529 935 F N 1.241 121.192 119.950 0.001 0.000 2.234 935 F HA 0.155 4.682 4.527 -0.000 0.000 0.299 935 F C 2.361 178.163 175.800 0.002 0.000 1.087 935 F CA 1.775 59.776 58.000 0.002 0.000 1.340 935 F CB -0.862 38.140 39.000 0.003 0.000 1.031 935 F HN 0.748 nan 8.300 nan 0.000 0.500 936 G N -0.349 108.516 108.800 0.109 0.000 2.470 936 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.220 936 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.220 936 G C 1.361 176.220 174.900 -0.069 0.000 1.121 936 G CA 0.746 45.866 45.100 0.033 0.000 0.766 936 G HN 0.490 nan 8.290 nan 0.000 0.553 937 E N -0.393 119.759 120.200 -0.079 0.000 2.502 937 E HA 0.163 4.512 4.350 -0.000 0.000 0.194 937 E C 0.283 176.803 176.600 -0.133 0.000 1.062 937 E CA -0.295 56.056 56.400 -0.081 0.000 0.867 937 E CB 0.128 29.798 29.700 -0.049 0.000 0.888 937 E HN 0.356 nan 8.360 nan 0.000 0.510 938 L N 1.055 122.129 121.223 -0.249 0.000 2.312 938 L HA 0.191 4.531 4.340 -0.000 0.000 0.281 938 L C 0.442 177.157 176.870 -0.258 0.000 1.070 938 L CA -0.598 54.065 54.840 -0.295 0.000 0.805 938 L CB 1.496 43.251 42.059 -0.508 0.000 1.174 938 L HN -0.092 nan 8.230 nan 0.000 0.434 939 S N 1.685 117.282 115.700 -0.172 0.000 2.505 939 S HA 0.081 4.551 4.470 -0.000 0.000 0.276 939 S C 0.735 175.260 174.600 -0.126 0.000 1.274 939 S CA -0.729 57.397 58.200 -0.122 0.000 1.053 939 S CB 0.181 63.330 63.200 -0.085 0.000 0.919 939 S HN 0.733 nan 8.310 nan 0.000 0.490 940 N N 4.834 123.483 118.700 -0.085 0.000 2.235 940 N HA 0.100 4.840 4.740 -0.000 0.000 0.209 940 N C 0.770 176.270 175.510 -0.016 0.000 1.122 940 N CA -0.000 53.024 53.050 -0.043 0.000 0.845 940 N CB -0.048 38.453 38.487 0.023 0.000 1.004 940 N HN 0.643 nan 8.380 nan 0.000 0.499 941 I N -0.614 119.938 120.570 -0.031 0.000 3.339 941 I HA 0.200 4.370 4.170 -0.000 0.000 0.285 941 I C -0.287 175.801 176.117 -0.048 0.000 1.201 941 I CA 0.085 61.378 61.300 -0.011 0.000 1.434 941 I CB 0.422 38.422 38.000 -0.001 0.000 1.152 941 I HN -0.034 nan 8.210 nan 0.000 0.443 942 E N 3.376 123.534 120.200 -0.070 0.000 1.892 942 E HA 0.103 4.453 4.350 -0.000 0.000 0.271 942 E C -0.506 176.020 176.600 -0.125 0.000 1.146 942 E CA -0.288 56.063 56.400 -0.081 0.000 1.096 942 E CB 0.287 29.947 29.700 -0.068 0.000 1.155 942 E HN 0.387 nan 8.360 nan 0.000 0.458 943 Q N 0.780 120.473 119.800 -0.178 0.000 2.256 943 Q HA 0.415 4.755 4.340 -0.000 0.000 0.232 943 Q C 0.271 176.149 176.000 -0.202 0.000 0.965 943 Q CA -0.474 55.163 55.803 -0.277 0.000 0.908 943 Q CB 1.932 30.328 28.738 -0.571 0.000 1.209 943 Q HN 0.309 nan 8.270 nan 0.000 0.489 944 V N -2.404 117.391 119.914 -0.198 0.000 3.141 944 V HA 0.901 5.021 4.120 -0.000 0.000 0.312 944 V C -0.268 175.753 176.094 -0.121 0.000 1.157 944 V CA -0.993 61.230 62.300 -0.128 0.000 1.041 944 V CB 1.804 33.573 31.823 -0.091 0.000 1.071 944 V HN 0.593 nan 8.190 nan 0.000 0.441 945 V N -1.770 118.100 119.914 -0.073 0.000 3.078 945 V HA 1.026 5.146 4.120 -0.000 0.000 0.311 945 V C 0.163 176.242 176.094 -0.026 0.000 1.138 945 V CA -0.495 61.776 62.300 -0.048 0.000 1.007 945 V CB 1.266 33.072 31.823 -0.029 0.000 1.045 945 V HN 1.946 nan 8.190 nan 0.000 0.432 946 A N 1.567 124.381 122.820 -0.010 0.000 2.354 946 A HA 0.802 5.122 4.320 -0.000 0.000 0.269 946 A C -0.320 177.268 177.584 0.008 0.000 1.109 946 A CA -0.378 51.660 52.037 0.001 0.000 0.800 946 A CB 1.234 20.242 19.000 0.014 0.000 1.045 946 A HN 1.958 nan 8.150 nan 0.000 0.489 947 V N 4.370 124.288 119.914 0.006 0.000 2.577 947 V HA 0.557 4.677 4.120 -0.000 0.000 0.303 947 V C -0.839 175.261 176.094 0.009 0.000 1.042 947 V CA -0.588 61.717 62.300 0.008 0.000 0.872 947 V CB 1.369 33.193 31.823 0.002 0.000 0.998 947 V HN 0.743 nan 8.190 nan 0.000 0.423 948 I N 5.394 125.973 120.570 0.015 0.000 2.359 948 I HA 0.401 4.570 4.170 -0.000 0.000 0.294 948 I C -0.438 175.681 176.117 0.004 0.000 0.987 948 I CA -0.452 60.856 61.300 0.014 0.000 1.225 948 I CB 1.654 39.672 38.000 0.030 0.000 1.366 948 I HN 0.555 nan 8.210 nan 0.000 0.466 949 D N 6.214 126.610 120.400 -0.007 0.000 2.411 949 D HA 0.071 4.711 4.640 -0.000 0.000 0.225 949 D C 0.960 177.248 176.300 -0.020 0.000 1.156 949 D CA 0.033 54.022 54.000 -0.018 0.000 0.874 949 D CB 0.785 41.566 40.800 -0.032 0.000 1.034 949 D HN 0.497 nan 8.370 nan 0.000 0.502 950 E N 2.025 122.216 120.200 -0.015 0.000 2.209 950 E HA -0.176 4.174 4.350 -0.000 0.000 0.196 950 E C 1.005 177.589 176.600 -0.027 0.000 0.993 950 E CA 0.757 57.147 56.400 -0.016 0.000 0.819 950 E CB 0.381 30.066 29.700 -0.025 0.000 0.745 950 E HN 0.516 nan 8.360 nan 0.000 0.477 951 E N -0.241 119.938 120.200 -0.035 0.000 2.347 951 E HA -0.085 4.265 4.350 -0.000 0.000 0.196 951 E C 1.661 178.225 176.600 -0.060 0.000 1.008 951 E CA 0.820 57.195 56.400 -0.041 0.000 0.852 951 E CB 0.064 29.743 29.700 -0.035 0.000 0.783 951 E HN 0.416 nan 8.360 nan 0.000 0.505 952 M N -0.679 118.871 119.600 -0.083 0.000 2.414 952 M HA 0.069 4.549 4.480 -0.000 0.000 0.251 952 M C 1.063 177.315 176.300 -0.079 0.000 1.116 952 M CA -0.204 55.007 55.300 -0.149 0.000 1.056 952 M CB 0.687 33.164 32.600 -0.205 0.000 1.388 952 M HN -0.088 nan 8.290 nan 0.000 0.487 953 C N 2.812 122.098 119.300 -0.022 0.000 2.642 953 C HA 0.140 4.599 4.460 -0.000 0.000 0.420 953 C C 1.641 176.669 174.990 0.063 0.000 1.349 953 C CA -0.353 58.681 59.018 0.028 0.000 1.821 953 C CB -0.443 27.329 27.740 0.054 0.000 2.637 953 C HN 0.639 nan 8.230 nan 0.000 0.605 954 I N 1.428 122.048 120.570 0.083 0.000 3.927 954 I HA 0.358 4.528 4.170 -0.000 0.000 0.332 954 I C 0.466 176.678 176.117 0.160 0.000 1.485 954 I CA -0.261 61.107 61.300 0.114 0.000 1.131 954 I CB -0.918 37.132 38.000 0.084 0.000 1.092 954 I HN 0.832 nan 8.210 nan 0.000 0.410 955 N N 0.248 119.067 118.700 0.199 0.000 2.714 955 N HA -0.252 4.488 4.740 -0.000 0.000 0.250 955 N C 1.173 176.839 175.510 0.260 0.000 1.117 955 N CA 1.082 54.313 53.050 0.301 0.000 0.719 955 N CB -2.256 36.471 38.487 0.400 0.000 1.081 955 N HN 0.870 nan 8.380 nan 0.000 0.557 956 C N -2.681 116.691 119.300 0.120 0.000 2.468 956 C HA 0.465 4.925 4.460 -0.000 0.000 0.277 956 C C 2.208 177.109 174.990 -0.148 0.000 1.400 956 C CA 0.449 59.471 59.018 0.006 0.000 1.770 956 C CB -0.985 26.747 27.740 -0.013 0.000 1.905 956 C HN 1.021 nan 8.230 nan 0.000 0.519 957 G N 0.801 109.436 108.800 -0.275 0.000 2.148 957 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.254 957 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.254 957 G C 0.842 175.532 174.900 -0.350 0.000 0.981 957 G CA 0.717 45.344 45.100 -0.787 0.000 0.670 957 G HN 0.646 nan 8.290 nan 0.000 0.528 958 K N -0.345 119.949 120.400 -0.177 0.000 2.097 958 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 958 K C 2.950 179.502 176.600 -0.080 0.000 1.050 958 K CA 1.747 57.968 56.287 -0.110 0.000 0.938 958 K CB -0.460 31.999 32.500 -0.068 0.000 0.718 958 K HN 0.833 nan 8.250 nan 0.000 0.442 959 C N -0.379 118.888 119.300 -0.054 0.000 2.429 959 C HA -0.139 4.321 4.460 -0.000 0.000 0.277 959 C C 2.510 177.505 174.990 0.008 0.000 1.262 959 C CA 0.281 59.292 59.018 -0.010 0.000 1.733 959 C CB -1.398 26.355 27.740 0.022 0.000 2.010 959 C HN 0.448 nan 8.230 nan 0.000 0.483 960 Y N 1.890 122.078 120.300 -0.187 0.000 2.145 960 Y HA -0.145 4.404 4.550 -0.000 0.000 0.286 960 Y C 2.680 178.483 175.900 -0.160 0.000 1.145 960 Y CA 2.172 60.157 58.100 -0.191 0.000 1.148 960 Y CB -0.371 37.849 38.460 -0.400 0.000 0.981 960 Y HN 0.197 nan 8.280 nan 0.000 0.507 961 M N -0.754 118.714 119.600 -0.221 0.000 2.175 961 M HA -0.196 4.283 4.480 -0.000 0.000 0.264 961 M C 1.929 178.111 176.300 -0.197 0.000 1.063 961 M CA 1.981 57.120 55.300 -0.268 0.000 1.119 961 M CB -0.419 32.078 32.600 -0.170 0.000 1.377 961 M HN 0.218 nan 8.290 nan 0.000 0.415 962 T N -0.443 114.034 114.554 -0.129 0.000 2.857 962 T HA -0.145 4.205 4.350 -0.000 0.000 0.266 962 T C 1.869 176.516 174.700 -0.089 0.000 1.048 962 T CA 1.151 63.197 62.100 -0.091 0.000 1.139 962 T CB -0.417 68.420 68.868 -0.053 0.000 0.874 962 T HN 0.510 nan 8.240 nan 0.000 0.455 963 C N 1.949 121.201 119.300 -0.081 0.000 2.450 963 C HA 0.002 4.462 4.460 -0.000 0.000 0.279 963 C C 2.562 177.482 174.990 -0.117 0.000 1.335 963 C CA 0.427 59.417 59.018 -0.047 0.000 1.749 963 C CB -1.395 26.355 27.740 0.016 0.000 1.963 963 C HN 0.452 nan 8.230 nan 0.000 0.501 964 N N 1.334 119.904 118.700 -0.217 0.000 2.135 964 N HA -0.057 4.683 4.740 -0.000 0.000 0.186 964 N C 0.964 176.361 175.510 -0.188 0.000 1.027 964 N CA 1.584 54.483 53.050 -0.250 0.000 0.849 964 N CB -0.461 37.771 38.487 -0.425 0.000 1.002 964 N HN 0.549 nan 8.380 nan 0.000 0.425 965 D N -1.203 119.093 120.400 -0.174 0.000 2.369 965 D HA 0.191 4.831 4.640 -0.000 0.000 0.211 965 D C 0.200 176.425 176.300 -0.125 0.000 1.077 965 D CA 0.321 54.239 54.000 -0.138 0.000 0.842 965 D CB 0.402 41.129 40.800 -0.122 0.000 0.947 965 D HN 0.001 nan 8.370 nan 0.000 0.509 966 S N -0.895 114.728 115.700 -0.130 0.000 2.993 966 S HA 0.438 4.908 4.470 -0.000 0.000 0.257 966 S C 0.680 175.194 174.600 -0.145 0.000 0.997 966 S CA -0.244 57.886 58.200 -0.117 0.000 1.191 966 S CB 1.831 64.984 63.200 -0.078 0.000 1.143 966 S HN 0.302 nan 8.310 nan 0.000 0.655 967 G N 0.445 109.129 108.800 -0.193 0.000 3.354 967 G HA2 0.483 4.443 3.960 -0.000 0.000 0.174 967 G HA3 0.483 4.443 3.960 -0.000 0.000 0.174 967 G C -0.923 173.649 174.900 -0.547 0.000 1.140 967 G CA -0.308 44.643 45.100 -0.248 0.000 0.897 967 G HN 0.257 nan 8.290 nan 0.000 0.685 968 Y N 0.490 120.784 120.300 -0.010 0.000 2.706 968 Y HA 0.336 4.886 4.550 -0.000 0.000 0.255 968 Y C 0.548 176.448 175.900 0.000 0.000 1.163 968 Y CA -0.555 57.546 58.100 0.002 0.000 1.174 968 Y CB 0.680 39.154 38.460 0.023 0.000 1.200 968 Y HN 0.296 nan 8.280 nan 0.000 0.544 969 Q N -0.121 119.707 119.800 0.047 0.000 2.435 969 Q HA -0.248 4.092 4.340 -0.000 0.000 0.312 969 Q C 0.988 177.045 176.000 0.096 0.000 1.333 969 Q CA 0.891 56.711 55.803 0.029 0.000 0.883 969 Q CB -1.694 27.049 28.738 0.009 0.000 1.170 969 Q HN 0.582 nan 8.270 nan 0.000 0.443 970 A N -0.829 122.066 122.820 0.125 0.000 2.308 970 A HA 0.392 4.712 4.320 -0.000 0.000 0.217 970 A C 0.501 178.166 177.584 0.136 0.000 1.216 970 A CA -0.034 52.080 52.037 0.129 0.000 0.864 970 A CB 0.559 19.635 19.000 0.128 0.000 0.902 970 A HN 0.413 nan 8.150 nan 0.000 0.499 971 I N 0.698 121.374 120.570 0.176 0.000 2.377 971 I HA 0.206 4.376 4.170 -0.000 0.000 0.293 971 I C -0.426 175.882 176.117 0.317 0.000 0.987 971 I CA -0.432 61.005 61.300 0.229 0.000 1.185 971 I CB 1.823 39.976 38.000 0.255 0.000 1.341 971 I HN 0.222 nan 8.210 nan 0.000 0.455 972 Q N 5.058 124.983 119.800 0.209 0.000 2.257 972 Q HA 0.380 4.720 4.340 -0.000 0.000 0.255 972 Q C -1.261 174.801 176.000 0.103 0.000 0.920 972 Q CA -0.475 55.426 55.803 0.162 0.000 0.927 972 Q CB 2.205 31.003 28.738 0.100 0.000 1.229 972 Q HN 0.408 nan 8.270 nan 0.000 0.433 973 F N 2.596 122.355 119.950 -0.320 0.000 2.382 973 F HA 0.204 4.731 4.527 -0.000 0.000 0.361 973 F C -0.357 175.320 175.800 -0.205 0.000 1.109 973 F CA -1.560 56.164 58.000 -0.460 0.000 1.031 973 F CB 0.913 39.167 39.000 -1.243 0.000 1.234 973 F HN 0.487 nan 8.300 nan 0.000 0.445 974 D N 8.036 128.231 120.400 -0.342 0.000 2.450 974 D HA 0.099 4.739 4.640 -0.000 0.000 0.247 974 D C -1.463 174.711 176.300 -0.209 0.000 1.162 974 D CA -0.971 52.897 54.000 -0.221 0.000 0.879 974 D CB 1.247 41.949 40.800 -0.162 0.000 1.163 974 D HN 0.299 nan 8.370 nan 0.000 0.472 975 P HA -0.108 nan 4.420 nan 0.000 0.226 975 P C 0.332 177.730 177.300 0.163 0.000 1.153 975 P CA 0.900 64.054 63.100 0.089 0.000 0.777 975 P CB 0.506 32.255 31.700 0.083 0.000 0.794 976 E N -0.505 119.750 120.200 0.092 0.000 2.206 976 E HA 0.002 4.352 4.350 -0.000 0.000 0.195 976 E C 1.932 178.673 176.600 0.235 0.000 0.935 976 E CA 1.538 58.030 56.400 0.154 0.000 0.875 976 E CB -0.862 28.913 29.700 0.125 0.000 0.841 976 E HN 0.350 nan 8.360 nan 0.000 0.477 977 T N -2.983 111.566 114.554 -0.008 0.000 3.044 977 T HA 0.059 4.408 4.350 -0.000 0.000 0.250 977 T C 0.467 175.240 174.700 0.121 0.000 1.081 977 T CA 0.109 62.088 62.100 -0.201 0.000 1.040 977 T CB -0.359 68.230 68.868 -0.466 0.000 0.962 977 T HN 0.278 nan 8.240 nan 0.000 0.506 978 H N 0.517 119.507 119.070 -0.132 0.000 2.741 978 H HA -0.097 4.459 4.556 -0.000 0.000 0.305 978 H C -0.801 174.314 175.328 -0.355 0.000 1.169 978 H CA -0.141 55.578 56.048 -0.549 0.000 1.144 978 H CB -1.703 28.041 29.762 -0.030 0.000 1.397 978 H HN 0.430 nan 8.280 nan 0.000 0.409 979 L N 2.019 123.127 121.223 -0.191 0.000 2.307 979 L HA 0.431 4.771 4.340 -0.000 0.000 0.284 979 L C -1.949 174.940 176.870 0.032 0.000 1.023 979 L CA -1.756 53.071 54.840 -0.022 0.000 0.810 979 L CB 1.498 43.517 42.059 -0.066 0.000 1.231 979 L HN -0.034 nan 8.230 nan 0.000 0.423 980 P HA 0.300 nan 4.420 nan 0.000 0.286 980 P C -1.088 176.279 177.300 0.111 0.000 1.261 980 P CA -0.440 62.792 63.100 0.221 0.000 0.821 980 P CB 1.939 33.788 31.700 0.248 0.000 1.013 981 T N 1.230 115.847 114.554 0.104 0.000 2.937 981 T HA 0.235 4.585 4.350 -0.000 0.000 0.297 981 T C -0.271 174.480 174.700 0.085 0.000 0.991 981 T CA -0.380 61.763 62.100 0.072 0.000 0.990 981 T CB 0.945 69.843 68.868 0.049 0.000 0.991 981 T HN 0.070 nan 8.240 nan 0.000 0.440 982 V N 4.849 124.805 119.914 0.070 0.000 2.470 982 V HA 0.357 4.476 4.120 -0.000 0.000 0.276 982 V C 1.268 177.398 176.094 0.060 0.000 1.040 982 V CA -0.310 62.032 62.300 0.070 0.000 1.008 982 V CB 0.741 32.595 31.823 0.052 0.000 0.990 982 V HN 1.080 nan 8.190 nan 0.000 0.477 983 T N 0.379 114.974 114.554 0.069 0.000 2.849 983 T HA 0.225 4.575 4.350 -0.000 0.000 0.276 983 T C 0.811 175.541 174.700 0.051 0.000 0.971 983 T CA -0.303 61.833 62.100 0.059 0.000 0.949 983 T CB 0.965 69.874 68.868 0.068 0.000 1.093 983 T HN 0.560 nan 8.240 nan 0.000 0.545 984 D N -0.200 120.227 120.400 0.045 0.000 2.378 984 D HA -0.032 4.608 4.640 -0.000 0.000 0.222 984 D C 1.895 178.223 176.300 0.047 0.000 0.980 984 D CA 1.228 55.253 54.000 0.042 0.000 0.907 984 D CB -0.286 40.535 40.800 0.036 0.000 0.899 984 D HN 0.755 nan 8.370 nan 0.000 0.527 985 T N -2.506 112.079 114.554 0.052 0.000 3.148 985 T HA 0.002 4.351 4.350 -0.000 0.000 0.253 985 T C 1.238 175.961 174.700 0.039 0.000 1.134 985 T CA -0.401 61.731 62.100 0.053 0.000 1.051 985 T CB -1.021 67.891 68.868 0.074 0.000 0.959 985 T HN 0.191 nan 8.240 nan 0.000 0.525 986 C N 3.991 123.313 119.300 0.036 0.000 2.611 986 C HA 0.350 4.810 4.460 -0.000 0.000 0.416 986 C C 2.128 177.087 174.990 -0.053 0.000 1.366 986 C CA 0.628 59.650 59.018 0.005 0.000 1.761 986 C CB -0.079 27.671 27.740 0.017 0.000 2.619 986 C HN 0.712 nan 8.230 nan 0.000 0.606 987 T N 1.119 115.568 114.554 -0.174 0.000 3.044 987 T HA 0.318 4.668 4.350 -0.000 0.000 0.260 987 T C 1.267 175.853 174.700 -0.190 0.000 1.019 987 T CA 0.907 62.873 62.100 -0.222 0.000 0.921 987 T CB -0.053 68.454 68.868 -0.601 0.000 1.053 987 T HN 2.205 nan 8.240 nan 0.000 0.533 988 G N 1.302 110.030 108.800 -0.119 0.000 2.160 988 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.251 988 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.251 988 G C 1.304 176.173 174.900 -0.050 0.000 1.008 988 G CA 0.485 45.533 45.100 -0.087 0.000 0.724 988 G HN 1.246 nan 8.290 nan 0.000 0.514 989 C N -2.125 117.168 119.300 -0.011 0.000 2.410 989 C HA 0.211 4.671 4.460 -0.000 0.000 0.281 989 C C 2.277 177.290 174.990 0.038 0.000 1.318 989 C CA 1.575 60.623 59.018 0.051 0.000 1.776 989 C CB -1.156 26.684 27.740 0.166 0.000 1.942 989 C HN 1.652 nan 8.230 nan 0.000 0.508 990 T N -0.336 114.235 114.554 0.028 0.000 5.686 990 T HA -0.212 4.138 4.350 -0.000 0.000 0.270 990 T C 0.570 175.284 174.700 0.022 0.000 2.203 990 T CA 1.003 63.113 62.100 0.017 0.000 3.730 990 T CB -1.947 66.923 68.868 0.004 0.000 0.770 990 T HN 0.699 nan 8.240 nan 0.000 1.144 991 L N 0.838 122.082 121.223 0.035 0.000 2.083 991 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 991 L C 3.073 179.951 176.870 0.013 0.000 1.083 991 L CA 2.307 57.161 54.840 0.023 0.000 0.752 991 L CB -0.497 41.578 42.059 0.026 0.000 0.899 991 L HN 0.860 nan 8.230 nan 0.000 0.433 992 C N -1.249 118.063 119.300 0.020 0.000 2.413 992 C HA -0.204 4.256 4.460 -0.000 0.000 0.276 992 C C 2.566 177.561 174.990 0.009 0.000 1.236 992 C CA 0.500 59.526 59.018 0.013 0.000 1.735 992 C CB -1.303 26.453 27.740 0.027 0.000 2.031 992 C HN 0.567 nan 8.230 nan 0.000 0.474 993 L N 1.770 122.999 121.223 0.010 0.000 2.079 993 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 993 L C 2.635 179.507 176.870 0.004 0.000 1.081 993 L CA 2.122 56.966 54.840 0.006 0.000 0.752 993 L CB -0.408 41.654 42.059 0.004 0.000 0.896 993 L HN 0.424 nan 8.230 nan 0.000 0.433 994 S N -0.835 114.867 115.700 0.003 0.000 2.447 994 S HA -0.102 4.368 4.470 -0.000 0.000 0.233 994 S C 1.572 176.171 174.600 -0.002 0.000 1.006 994 S CA 1.242 59.442 58.200 0.001 0.000 0.957 994 S CB -0.084 63.117 63.200 0.002 0.000 0.773 994 S HN 0.591 nan 8.310 nan 0.000 0.507 995 V N -2.008 117.903 119.914 -0.005 0.000 3.643 995 V HA 0.349 4.469 4.120 -0.000 0.000 0.280 995 V C 0.864 176.952 176.094 -0.010 0.000 1.351 995 V CA -0.750 61.543 62.300 -0.011 0.000 1.073 995 V CB -0.955 30.856 31.823 -0.020 0.000 0.863 995 V HN 0.442 nan 8.190 nan 0.000 0.436 996 C N 4.706 124.004 119.300 -0.004 0.000 2.648 996 C HA 0.363 4.823 4.460 -0.000 0.000 0.415 996 C C 0.489 175.481 174.990 0.003 0.000 1.366 996 C CA -0.334 58.683 59.018 -0.001 0.000 1.756 996 C CB 0.722 28.465 27.740 0.004 0.000 2.549 996 C HN 0.586 nan 8.230 nan 0.000 0.597 997 P HA 0.022 nan 4.420 nan 0.000 0.229 997 P C 0.080 177.392 177.300 0.020 0.000 1.160 997 P CA 1.166 64.272 63.100 0.010 0.000 0.777 997 P CB 0.030 31.736 31.700 0.010 0.000 0.814 998 I N 1.340 121.922 120.570 0.019 0.000 2.312 998 I HA 0.215 4.385 4.170 -0.000 0.000 0.290 998 I C 0.838 176.967 176.117 0.020 0.000 1.008 998 I CA -1.144 60.171 61.300 0.025 0.000 1.226 998 I CB 1.178 39.177 38.000 -0.002 0.000 1.371 998 I HN -0.265 nan 8.210 nan 0.000 0.468 999 I N 6.808 127.405 120.570 0.044 0.000 2.742 999 I HA -0.106 4.064 4.170 -0.000 0.000 0.287 999 I C 0.482 176.615 176.117 0.026 0.000 1.186 999 I CA 0.763 62.087 61.300 0.039 0.000 1.417 999 I CB -0.058 37.976 38.000 0.056 0.000 1.377 999 I HN 0.715 nan 8.210 nan 0.000 0.556 1000 D N 2.802 123.210 120.400 0.012 0.000 3.076 1000 D HA -0.228 4.412 4.640 -0.000 0.000 0.218 1000 D C 1.127 177.417 176.300 -0.017 0.000 1.156 1000 D CA 0.997 54.998 54.000 0.001 0.000 0.921 1000 D CB -1.379 39.426 40.800 0.009 0.000 1.113 1000 D HN 0.814 nan 8.370 nan 0.000 0.418 1001 C N 0.186 119.472 119.300 -0.023 0.000 2.466 1001 C HA 0.090 4.550 4.460 -0.000 0.000 0.278 1001 C C 1.219 176.199 174.990 -0.015 0.000 1.288 1001 C CA 0.242 59.239 59.018 -0.035 0.000 1.722 1001 C CB -0.467 27.255 27.740 -0.031 0.000 2.017 1001 C HN 0.341 nan 8.230 nan 0.000 0.488 1002 I N 1.224 121.791 120.570 -0.005 0.000 2.412 1002 I HA 0.463 4.633 4.170 -0.000 0.000 0.296 1002 I C -0.102 176.014 176.117 -0.002 0.000 0.987 1002 I CA -0.215 61.085 61.300 0.001 0.000 1.180 1002 I CB 1.095 39.099 38.000 0.008 0.000 1.340 1002 I HN 0.222 nan 8.210 nan 0.000 0.455 1003 R N 5.395 125.894 120.500 -0.003 0.000 2.771 1003 R HA 0.615 4.954 4.340 -0.000 0.000 0.274 1003 R C -1.266 175.028 176.300 -0.010 0.000 0.987 1003 R CA -1.079 55.017 56.100 -0.007 0.000 0.908 1003 R CB 2.239 32.534 30.300 -0.007 0.000 1.213 1003 R HN 0.388 nan 8.270 nan 0.000 0.468 1004 M N 2.833 122.423 119.600 -0.016 0.000 2.157 1004 M HA 0.313 4.793 4.480 -0.000 0.000 0.354 1004 M C -0.212 176.072 176.300 -0.027 0.000 1.170 1004 M CA -0.759 54.527 55.300 -0.024 0.000 1.060 1004 M CB 1.025 33.607 32.600 -0.031 0.000 1.615 1004 M HN 0.488 nan 8.290 nan 0.000 0.460 1005 V N 0.276 120.173 119.914 -0.029 0.000 3.001 1005 V HA 0.689 4.809 4.120 -0.000 0.000 0.314 1005 V C 0.174 176.245 176.094 -0.039 0.000 1.099 1005 V CA -0.928 61.354 62.300 -0.029 0.000 0.989 1005 V CB 1.736 33.547 31.823 -0.019 0.000 1.040 1005 V HN 0.786 nan 8.190 nan 0.000 0.434 1006 S N 2.402 118.080 115.700 -0.038 0.000 2.546 1006 S HA 0.174 4.644 4.470 -0.000 0.000 0.290 1006 S C 0.350 174.925 174.600 -0.041 0.000 1.290 1006 S CA -0.059 58.114 58.200 -0.045 0.000 1.069 1006 S CB -0.157 63.022 63.200 -0.036 0.000 0.846 1006 S HN 0.841 nan 8.310 nan 0.000 0.495 1007 R N 1.555 122.020 120.500 -0.057 0.000 2.537 1007 R HA 0.077 4.417 4.340 -0.000 0.000 0.280 1007 R C 1.273 177.562 176.300 -0.018 0.000 1.058 1007 R CA 0.526 56.600 56.100 -0.042 0.000 1.057 1007 R CB 0.316 30.575 30.300 -0.068 0.000 0.973 1007 R HN 0.868 nan 8.270 nan 0.000 0.438 1008 T N -1.424 113.128 114.554 -0.003 0.000 3.000 1008 T HA 0.011 4.361 4.350 -0.000 0.000 0.248 1008 T C 0.865 175.575 174.700 0.016 0.000 1.034 1008 T CA 0.310 62.412 62.100 0.004 0.000 1.060 1008 T CB 0.096 68.965 68.868 0.002 0.000 0.983 1008 T HN 0.647 nan 8.240 nan 0.000 0.482 1009 T N 1.110 115.679 114.554 0.024 0.000 2.899 1009 T HA 0.559 4.909 4.350 -0.000 0.000 0.284 1009 T C -2.961 171.773 174.700 0.056 0.000 1.004 1009 T CA -1.919 60.201 62.100 0.034 0.000 1.043 1009 T CB 0.639 69.528 68.868 0.034 0.000 1.013 1009 T HN -0.086 nan 8.240 nan 0.000 0.518 1010 P HA 0.091 nan 4.420 nan 0.000 0.264 1010 P C -1.460 175.901 177.300 0.103 0.000 1.183 1010 P CA 0.037 63.173 63.100 0.060 0.000 0.763 1010 P CB -0.029 31.686 31.700 0.025 0.000 0.807 1011 Y N 2.603 122.892 120.300 -0.017 0.000 2.352 1011 Y HA 0.490 5.040 4.550 -0.000 0.000 0.339 1011 Y C -0.273 175.615 175.900 -0.020 0.000 0.992 1011 Y CA -0.932 57.153 58.100 -0.024 0.000 1.100 1011 Y CB 1.621 40.063 38.460 -0.030 0.000 1.192 1011 Y HN 0.356 nan 8.280 nan 0.000 0.458 1012 E N 7.435 127.122 120.200 -0.855 0.000 2.294 1012 E HA 0.401 4.751 4.350 -0.000 0.000 0.272 1012 E C -2.866 173.287 176.600 -0.745 0.000 0.896 1012 E CA -2.270 53.743 56.400 -0.646 0.000 0.802 1012 E CB 1.451 30.983 29.700 -0.279 0.000 1.267 1012 E HN 0.471 nan 8.360 nan 0.000 0.406 1013 P HA 0.001 nan 4.420 nan 0.000 0.265 1013 P C -1.183 176.020 177.300 -0.161 0.000 1.187 1013 P CA 0.093 63.006 63.100 -0.312 0.000 0.766 1013 P CB 0.414 32.045 31.700 -0.115 0.000 0.820 1014 K N 3.430 123.787 120.400 -0.071 0.000 2.338 1014 K HA 0.144 4.464 4.320 -0.000 0.000 0.290 1014 K C 1.068 177.678 176.600 0.016 0.000 1.069 1014 K CA -0.285 55.999 56.287 -0.005 0.000 0.941 1014 K CB 0.691 33.238 32.500 0.078 0.000 1.023 1014 K HN 0.221 nan 8.250 nan 0.000 0.477 1015 R N 1.805 122.304 120.500 -0.002 0.000 2.312 1015 R HA 0.082 4.422 4.340 -0.000 0.000 0.205 1015 R C 1.364 177.670 176.300 0.009 0.000 0.904 1015 R CA 0.613 56.716 56.100 0.004 0.000 1.052 1015 R CB 0.205 30.499 30.300 -0.009 0.000 1.014 1015 R HN 1.056 nan 8.270 nan 0.000 0.503 1016 G N 1.272 110.079 108.800 0.012 0.000 3.548 1016 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.224 1016 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.224 1016 G C 0.146 175.048 174.900 0.004 0.000 1.351 1016 G CA 0.330 45.436 45.100 0.010 0.000 0.905 1016 G HN 0.265 nan 8.290 nan 0.000 0.561 1017 L N 2.075 123.299 121.223 0.001 0.000 2.401 1017 L HA 0.544 4.884 4.340 -0.000 0.000 0.266 1017 L C -1.557 175.311 176.870 -0.004 0.000 0.991 1017 L CA -1.886 52.953 54.840 -0.001 0.000 0.818 1017 L CB 2.295 44.353 42.059 -0.001 0.000 1.321 1017 L HN 0.308 nan 8.230 nan 0.000 0.413 1018 P HA 0.000 nan 4.420 nan 0.000 0.216 1018 P CA 0.000 63.096 63.100 -0.007 0.000 0.800 1018 P CB 0.000 31.695 31.700 -0.008 0.000 0.726