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 1ogy_1_I DATA FIRST_RESID 12 DATA SEQUENCE IRWSKAPCRF CGTGCGVMVG TRDGQVVATH GDTQAEVNRG LNCVKGYFLS DATA SEQUENCE KIMYGEDRLT TPLLRMKDGV YHKEGEFAPV SWDEAFDVMA AQAKLVLKEK DATA SEQUENCE APEAVGMFGS GQWTIWEGYA ASKLMRAGFR SNNLDPNARH CMASAATAFM DATA SEQUENCE RTFGMDEPMG CYDDFEAADA FVLWGSNMAE MHPILWSRLT DRRLSHEHVR DATA SEQUENCE VAVLSTFTHR SSDLSDTPII FRPGTDRAIL NYIAHHIIST GRVNRDFVDR DATA SEQUENCE HTNFALGATD IGYGLRPEHQ LQLAAKGAAD AGAMTPTDFE TFAALVSEYT DATA SEQUENCE LEKAAEISGV EPALLEELAE LYADPDRKWM SLWTMGFNQH VRGVWANHMV DATA SEQUENCE YNLHLLTGKI SEPGNSPFSL TGQPFACGTA REVGTFAHRL PADMVVTNPE DATA SEQUENCE HRAHAEEIWK LPAGLLPDWV GAHAVEQDRK LHDGEINFYW VQVNNNMQAA DATA SEQUENCE PNIDQETYPG YRNPENFIVV SDAYPTVTGR AADLVLPAAM WVEKEGAYGN DATA SEQUENCE AERRTHFWHQ LVEAPGEARS DLWQLMEFSK RFTTDEVWPE EILSAAPAYR DATA SEQUENCE GKTLFEVLFA NGSVDRFPAS DVNPDHANHE AALFGFYPQK GLFEEYAAFG DATA SEQUENCE RGHGHDLAPF DTYHEVRGLH WPVVEGEETR WRYREGFDPY VKPGEGLRFY DATA SEQUENCE GKPDGRAVIL GVPYEPPAES PDEEFGFWLV TGRVLEHWHS GSMTLRWPEL DATA SEQUENCE YKAFPGAVCF MHPEDARSRG LNRGSEVRVI SRRGEIRTRL ETRGRNRMPR DATA SEQUENCE GVVFVPWFDA SQLINKVTLD ANDPISRQTD FKKCAVKIEA 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 12 I HA 0.000 nan 4.170 nan 0.000 0.288 12 I C 0.000 175.920 176.117 -0.328 0.000 1.063 12 I CA 0.000 61.162 61.300 -0.230 0.000 1.566 12 I CB 0.000 37.915 38.000 -0.141 0.000 1.214 13 R N 1.360 121.595 120.500 -0.442 0.000 2.265 13 R HA 0.359 4.699 4.340 -0.000 0.000 0.328 13 R C -1.817 174.205 176.300 -0.463 0.000 0.969 13 R CA -0.403 55.495 56.100 -0.336 0.000 0.832 13 R CB 1.040 31.224 30.300 -0.193 0.000 1.139 13 R HN 0.037 nan 8.270 nan 0.000 0.457 14 W N 1.881 123.166 121.300 -0.025 0.000 2.335 14 W HA 0.356 5.015 4.660 -0.000 0.000 0.307 14 W C 0.061 176.590 176.519 0.016 0.000 1.117 14 W CA -0.314 57.020 57.345 -0.019 0.000 1.228 14 W CB 1.627 31.074 29.460 -0.022 0.000 1.240 14 W HN 0.318 nan 8.180 nan 0.000 0.468 15 S N 2.506 118.329 115.700 0.204 0.000 2.532 15 S HA 0.366 4.836 4.470 -0.000 0.000 0.301 15 S C -0.368 174.321 174.600 0.147 0.000 1.083 15 S CA -1.040 57.265 58.200 0.174 0.000 1.025 15 S CB 1.437 64.724 63.200 0.145 0.000 1.056 15 S HN 0.426 nan 8.310 nan 0.000 0.494 16 K N 1.536 122.018 120.400 0.138 0.000 2.326 16 K HA 0.594 4.914 4.320 -0.000 0.000 0.275 16 K C -0.676 175.964 176.600 0.067 0.000 1.018 16 K CA -0.153 56.196 56.287 0.104 0.000 0.962 16 K CB 0.369 32.936 32.500 0.112 0.000 0.953 16 K HN 0.698 nan 8.250 nan 0.000 0.475 17 A N 4.538 127.373 122.820 0.025 0.000 2.583 17 A HA 0.394 4.714 4.320 -0.000 0.000 0.298 17 A C -2.971 174.571 177.584 -0.071 0.000 1.055 17 A CA -1.229 50.776 52.037 -0.053 0.000 0.714 17 A CB 1.504 20.340 19.000 -0.272 0.000 1.277 17 A HN 0.605 nan 8.150 nan 0.000 0.406 18 P HA 0.400 nan 4.420 nan 0.000 0.288 18 P C 0.376 177.616 177.300 -0.099 0.000 1.267 18 P CA -0.303 62.655 63.100 -0.236 0.000 0.815 18 P CB 1.257 32.643 31.700 -0.523 0.000 0.989 19 C N 4.431 123.654 119.300 -0.128 0.000 2.550 19 C HA 0.042 4.502 4.460 -0.000 0.000 0.406 19 C C 2.171 176.924 174.990 -0.396 0.000 1.366 19 C CA 0.061 58.925 59.018 -0.257 0.000 1.712 19 C CB -1.023 26.586 27.740 -0.218 0.000 2.613 19 C HN 0.702 nan 8.230 nan 0.000 0.608 20 R N 3.004 122.959 120.500 -0.909 0.000 2.313 20 R HA 0.253 4.593 4.340 -0.000 0.000 0.199 20 R C 0.223 175.840 176.300 -1.137 0.000 0.958 20 R CA 1.022 56.496 56.100 -1.044 0.000 1.047 20 R CB -0.456 28.770 30.300 -1.790 0.000 0.955 20 R HN 0.837 nan 8.270 nan 0.000 0.481 21 F N -1.926 117.534 119.950 -0.817 0.000 2.893 21 F HA 0.220 4.747 4.527 -0.000 0.000 0.152 21 F C 1.107 176.439 175.800 -0.780 0.000 1.391 21 F CA -0.759 56.466 58.000 -1.293 0.000 0.935 21 F CB -0.860 37.543 39.000 -0.994 0.000 2.055 21 F HN -0.198 nan 8.300 nan 0.000 0.498 22 C N 1.772 121.044 119.300 -0.047 0.000 2.717 22 C HA -0.002 4.458 4.460 -0.000 0.000 0.392 22 C C 2.013 177.063 174.990 0.100 0.000 1.269 22 C CA 0.559 59.666 59.018 0.149 0.000 1.727 22 C CB -0.376 27.346 27.740 -0.029 0.000 2.623 22 C HN 0.850 nan 8.230 nan 0.000 0.631 23 G N 2.491 111.383 108.800 0.153 0.000 2.920 23 G HA2 0.030 3.990 3.960 -0.000 0.000 0.208 23 G HA3 0.030 3.990 3.960 -0.000 0.000 0.208 23 G C 1.247 176.342 174.900 0.325 0.000 1.159 23 G CA 0.963 46.212 45.100 0.248 0.000 0.784 23 G HN 0.869 nan 8.290 nan 0.000 0.535 24 T N 0.706 115.408 114.554 0.247 0.000 2.652 24 T HA 0.153 4.503 4.350 -0.000 0.000 0.267 24 T C 1.834 176.745 174.700 0.352 0.000 1.039 24 T CA 1.846 64.117 62.100 0.286 0.000 1.153 24 T CB -0.416 68.499 68.868 0.077 0.000 0.863 24 T HN 1.129 nan 8.240 nan 0.000 0.428 25 G N 0.488 109.427 108.800 0.231 0.000 2.356 25 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.233 25 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.233 25 G C 0.134 175.150 174.900 0.193 0.000 1.105 25 G CA -0.377 44.897 45.100 0.291 0.000 0.861 25 G HN 0.660 nan 8.290 nan 0.000 0.493 26 C N 0.361 119.693 119.300 0.054 0.000 2.662 26 C HA 0.592 5.052 4.460 -0.000 0.000 0.420 26 C C 1.636 176.595 174.990 -0.052 0.000 1.314 26 C CA 0.448 59.462 59.018 -0.007 0.000 1.963 26 C CB 0.448 28.144 27.740 -0.074 0.000 2.686 26 C HN 1.047 nan 8.230 nan 0.000 0.609 27 G N 2.039 110.817 108.800 -0.036 0.000 2.353 27 G HA2 0.508 4.468 3.960 -0.000 0.000 0.284 27 G HA3 0.508 4.468 3.960 -0.000 0.000 0.284 27 G C -0.633 174.252 174.900 -0.026 0.000 1.172 27 G CA -0.063 45.010 45.100 -0.045 0.000 0.854 27 G HN 0.656 nan 8.290 nan 0.000 0.485 28 V N 3.784 123.698 119.914 0.001 0.000 2.815 28 V HA 0.522 4.642 4.120 -0.000 0.000 0.314 28 V C -0.034 176.121 176.094 0.102 0.000 1.064 28 V CA -0.876 61.457 62.300 0.055 0.000 0.952 28 V CB 2.162 34.042 31.823 0.096 0.000 1.020 28 V HN 0.670 nan 8.190 nan 0.000 0.439 29 M N 3.413 123.111 119.600 0.162 0.000 2.043 29 M HA 0.392 4.871 4.480 -0.000 0.000 0.322 29 M C -0.978 175.537 176.300 0.358 0.000 0.962 29 M CA -0.469 54.967 55.300 0.227 0.000 0.927 29 M CB 1.494 34.200 32.600 0.178 0.000 1.466 29 M HN 0.350 nan 8.290 nan 0.000 0.412 30 V N 2.931 122.981 119.914 0.228 0.000 2.455 30 V HA 0.360 4.480 4.120 -0.000 0.000 0.273 30 V C 0.989 177.074 176.094 -0.016 0.000 1.045 30 V CA -0.503 61.869 62.300 0.120 0.000 0.976 30 V CB 0.832 32.612 31.823 -0.072 0.000 0.993 30 V HN 0.948 nan 8.190 nan 0.000 0.475 31 G N 3.061 111.699 108.800 -0.270 0.000 2.325 31 G HA2 0.513 4.473 3.960 -0.000 0.000 0.298 31 G HA3 0.513 4.473 3.960 -0.000 0.000 0.298 31 G C -0.288 174.295 174.900 -0.529 0.000 1.134 31 G CA -0.136 44.366 45.100 -0.997 0.000 0.876 31 G HN 0.616 nan 8.290 nan 0.000 0.452 32 T N 1.759 116.004 114.554 -0.516 0.000 2.861 32 T HA 0.668 5.018 4.350 -0.000 0.000 0.287 32 T C -0.381 174.160 174.700 -0.264 0.000 1.003 32 T CA -0.564 61.362 62.100 -0.289 0.000 0.977 32 T CB 1.479 70.229 68.868 -0.197 0.000 0.996 32 T HN 0.587 nan 8.240 nan 0.000 0.448 33 R N 2.511 122.902 120.500 -0.182 0.000 2.515 33 R HA 0.301 4.641 4.340 -0.000 0.000 0.278 33 R C -1.305 174.931 176.300 -0.107 0.000 1.107 33 R CA -0.364 55.646 56.100 -0.150 0.000 0.945 33 R CB 0.978 31.189 30.300 -0.148 0.000 1.219 33 R HN 0.801 nan 8.270 nan 0.000 0.434 34 D N 2.797 123.142 120.400 -0.093 0.000 2.686 34 D HA -0.175 4.465 4.640 -0.000 0.000 0.235 34 D C 0.740 177.002 176.300 -0.063 0.000 1.160 34 D CA 2.144 56.100 54.000 -0.073 0.000 0.645 34 D CB -0.580 40.179 40.800 -0.068 0.000 1.039 34 D HN 1.024 nan 8.370 nan 0.000 0.423 35 G N -0.466 108.297 108.800 -0.062 0.000 2.203 35 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.263 35 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.263 35 G C 0.068 174.963 174.900 -0.008 0.000 1.012 35 G CA 0.653 45.729 45.100 -0.040 0.000 0.749 35 G HN 0.484 nan 8.290 nan 0.000 0.512 36 Q N -0.932 118.852 119.800 -0.026 0.000 2.394 36 Q HA 0.550 4.890 4.340 -0.000 0.000 0.273 36 Q C -0.328 175.678 176.000 0.010 0.000 1.089 36 Q CA -0.814 54.992 55.803 0.005 0.000 0.812 36 Q CB 2.781 31.460 28.738 -0.098 0.000 1.353 36 Q HN 0.158 nan 8.270 nan 0.000 0.438 37 V N 2.598 122.600 119.914 0.148 0.000 2.408 37 V HA 0.099 4.219 4.120 -0.000 0.000 0.267 37 V C 1.031 177.163 176.094 0.063 0.000 1.047 37 V CA -0.012 62.355 62.300 0.110 0.000 0.937 37 V CB 0.952 32.927 31.823 0.253 0.000 0.999 37 V HN 0.720 nan 8.190 nan 0.000 0.472 38 V N 1.822 121.707 119.914 -0.048 0.000 3.477 38 V HA 0.823 4.943 4.120 -0.000 0.000 0.297 38 V C 0.450 176.538 176.094 -0.010 0.000 1.433 38 V CA 0.519 62.790 62.300 -0.048 0.000 1.052 38 V CB 0.106 31.868 31.823 -0.102 0.000 0.895 38 V HN 0.888 nan 8.190 nan 0.000 0.438 39 A N -0.715 122.094 122.820 -0.018 0.000 2.605 39 A HA 0.779 5.098 4.320 -0.000 0.000 0.294 39 A C -0.549 177.135 177.584 0.167 0.000 1.062 39 A CA -0.162 51.919 52.037 0.074 0.000 0.682 39 A CB 1.637 20.645 19.000 0.013 0.000 1.278 39 A HN 0.141 nan 8.150 nan 0.000 0.410 40 T N 2.043 116.788 114.554 0.319 0.000 3.078 40 T HA 0.465 4.815 4.350 -0.000 0.000 0.328 40 T C -0.796 174.220 174.700 0.526 0.000 0.987 40 T CA -0.138 62.178 62.100 0.359 0.000 1.049 40 T CB -0.009 69.022 68.868 0.272 0.000 1.011 40 T HN 0.663 nan 8.240 nan 0.000 0.463 41 H N 0.460 119.698 119.070 0.280 0.000 2.676 41 H HA 0.663 5.219 4.556 -0.000 0.000 0.352 41 H C 0.741 176.118 175.328 0.082 0.000 1.193 41 H CA -1.400 54.746 56.048 0.164 0.000 1.243 41 H CB 1.441 31.189 29.762 -0.023 0.000 1.751 41 H HN 0.675 nan 8.280 nan 0.000 0.567 42 G N 0.351 109.257 108.800 0.178 0.000 2.370 42 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.272 42 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.272 42 G C -0.448 174.467 174.900 0.024 0.000 1.208 42 G CA -0.352 44.771 45.100 0.038 0.000 0.856 42 G HN 0.561 nan 8.290 nan 0.000 0.500 43 D N 1.912 122.317 120.400 0.008 0.000 2.359 43 D HA 0.066 4.706 4.640 -0.000 0.000 0.250 43 D C 1.951 178.248 176.300 -0.005 0.000 1.264 43 D CA -0.068 53.936 54.000 0.007 0.000 0.911 43 D CB 0.688 41.498 40.800 0.016 0.000 1.056 43 D HN 0.348 nan 8.370 nan 0.000 0.499 44 T N 0.874 115.419 114.554 -0.015 0.000 3.098 44 T HA -0.117 4.233 4.350 -0.000 0.000 0.266 44 T C 1.191 175.888 174.700 -0.005 0.000 1.145 44 T CA 0.689 62.779 62.100 -0.016 0.000 1.092 44 T CB 0.147 68.998 68.868 -0.027 0.000 0.908 44 T HN 0.232 nan 8.240 nan 0.000 0.526 45 Q N 0.505 120.306 119.800 0.002 0.000 2.319 45 Q HA 0.472 4.812 4.340 -0.000 0.000 0.202 45 Q C 0.743 176.754 176.000 0.018 0.000 0.896 45 Q CA 0.065 55.875 55.803 0.011 0.000 0.942 45 Q CB 0.555 29.303 28.738 0.015 0.000 1.083 45 Q HN 0.722 nan 8.270 nan 0.000 0.510 46 A N 1.056 123.887 122.820 0.018 0.000 2.366 46 A HA 0.149 4.469 4.320 -0.000 0.000 0.272 46 A C 1.087 178.689 177.584 0.030 0.000 1.135 46 A CA -0.253 51.801 52.037 0.028 0.000 0.804 46 A CB 0.606 19.622 19.000 0.026 0.000 1.064 46 A HN -0.026 nan 8.150 nan 0.000 0.499 47 E N 1.809 122.029 120.200 0.033 0.000 2.150 47 E HA -0.121 4.228 4.350 -0.000 0.000 0.193 47 E C 2.004 178.650 176.600 0.078 0.000 0.985 47 E CA 1.159 57.585 56.400 0.043 0.000 0.814 47 E CB -0.076 29.638 29.700 0.023 0.000 0.752 47 E HN 0.591 nan 8.360 nan 0.000 0.466 48 V N 3.050 123.027 119.914 0.105 0.000 2.214 48 V HA -0.322 3.798 4.120 -0.000 0.000 0.245 48 V C 2.150 178.278 176.094 0.056 0.000 1.047 48 V CA 2.345 64.748 62.300 0.171 0.000 0.998 48 V CB -0.661 31.296 31.823 0.223 0.000 0.633 48 V HN 0.386 nan 8.190 nan 0.000 0.446 49 N N -0.496 118.213 118.700 0.015 0.000 2.436 49 N HA -0.077 4.663 4.740 -0.000 0.000 0.178 49 N C 0.519 176.009 175.510 -0.034 0.000 1.026 49 N CA 0.218 53.245 53.050 -0.038 0.000 0.880 49 N CB -0.053 38.398 38.487 -0.059 0.000 1.061 49 N HN 0.422 nan 8.380 nan 0.000 0.434 50 R N 0.646 121.137 120.500 -0.014 0.000 3.125 50 R HA -0.109 4.231 4.340 -0.000 0.000 0.258 50 R C 0.681 176.967 176.300 -0.022 0.000 0.968 50 R CA 0.611 56.703 56.100 -0.013 0.000 0.656 50 R CB -2.272 28.022 30.300 -0.010 0.000 1.251 50 R HN 0.721 nan 8.270 nan 0.000 0.428 51 G N -1.046 107.741 108.800 -0.022 0.000 2.179 51 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.260 51 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.260 51 G C -0.138 174.758 174.900 -0.007 0.000 0.977 51 G CA 0.339 45.428 45.100 -0.017 0.000 0.641 51 G HN 0.234 nan 8.290 nan 0.000 0.533 52 L N 0.795 121.995 121.223 -0.040 0.000 2.346 52 L HA 0.638 4.978 4.340 -0.000 0.000 0.276 52 L C 0.229 176.989 176.870 -0.184 0.000 1.006 52 L CA -0.738 54.073 54.840 -0.049 0.000 0.817 52 L CB 1.684 43.717 42.059 -0.043 0.000 1.272 52 L HN 0.358 nan 8.230 nan 0.000 0.421 53 N N 0.550 119.010 118.700 -0.400 0.000 3.167 53 N HA 0.758 5.498 4.740 -0.000 0.000 0.323 53 N C -1.145 174.105 175.510 -0.433 0.000 1.478 53 N CA -0.862 51.835 53.050 -0.589 0.000 0.753 53 N CB 1.924 39.758 38.487 -1.089 0.000 1.721 53 N HN 0.678 nan 8.380 nan 0.000 0.618 54 C N -1.477 117.629 119.300 -0.325 0.000 2.803 54 C HA 0.531 4.991 4.460 -0.000 0.000 0.389 54 C C 2.049 177.038 174.990 -0.002 0.000 1.433 54 C CA -0.647 58.313 59.018 -0.096 0.000 1.714 54 C CB -0.064 27.623 27.740 -0.088 0.000 2.106 54 C HN 0.600 nan 8.230 nan 0.000 0.480 55 V N 1.451 121.419 119.914 0.090 0.000 2.231 55 V HA -0.253 3.867 4.120 -0.000 0.000 0.250 55 V C 2.640 178.857 176.094 0.205 0.000 1.058 55 V CA 2.626 65.043 62.300 0.196 0.000 1.022 55 V CB -1.422 30.495 31.823 0.156 0.000 0.640 55 V HN 0.961 nan 8.190 nan 0.000 0.445 56 K N 0.914 121.345 120.400 0.050 0.000 2.160 56 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 56 K C 2.288 178.979 176.600 0.151 0.000 1.047 56 K CA 1.568 57.878 56.287 0.039 0.000 0.930 56 K CB -0.761 31.530 32.500 -0.348 0.000 0.720 56 K HN 0.612 nan 8.250 nan 0.000 0.450 57 G N 0.584 109.379 108.800 -0.008 0.000 2.433 57 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.216 57 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.216 57 G C 1.246 176.068 174.900 -0.129 0.000 1.186 57 G CA 0.688 45.710 45.100 -0.131 0.000 0.779 57 G HN 0.289 nan 8.290 nan 0.000 0.543 58 Y N -0.449 119.796 120.300 -0.093 0.000 2.315 58 Y HA 0.015 4.565 4.550 -0.000 0.000 0.288 58 Y C 1.729 177.471 175.900 -0.263 0.000 1.154 58 Y CA 0.487 58.459 58.100 -0.213 0.000 1.229 58 Y CB -0.151 38.074 38.460 -0.391 0.000 0.980 58 Y HN 0.168 nan 8.280 nan 0.000 0.540 59 F N -0.695 119.361 119.950 0.176 0.000 2.701 59 F HA 0.115 4.642 4.527 -0.000 0.000 0.295 59 F C 1.295 177.141 175.800 0.076 0.000 1.165 59 F CA -0.147 57.929 58.000 0.127 0.000 1.399 59 F CB -0.194 38.863 39.000 0.094 0.000 0.996 59 F HN 0.025 nan 8.300 nan 0.000 0.513 60 L N -0.334 120.964 121.223 0.126 0.000 2.141 60 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 60 L C 2.647 179.569 176.870 0.085 0.000 1.094 60 L CA 1.307 56.081 54.840 -0.110 0.000 0.763 60 L CB -0.547 41.285 42.059 -0.378 0.000 0.908 60 L HN 0.313 nan 8.230 nan 0.000 0.437 61 S N -0.210 115.629 115.700 0.231 0.000 2.420 61 S HA -0.220 4.250 4.470 -0.000 0.000 0.237 61 S C 1.606 176.423 174.600 0.363 0.000 1.023 61 S CA 1.089 59.474 58.200 0.308 0.000 0.991 61 S CB -0.308 63.056 63.200 0.273 0.000 0.792 61 S HN 0.466 nan 8.310 nan 0.000 0.488 62 K N 0.045 120.635 120.400 0.316 0.000 2.397 62 K HA 0.415 4.735 4.320 -0.000 0.000 0.202 62 K C 1.160 177.895 176.600 0.225 0.000 1.022 62 K CA -0.092 56.385 56.287 0.317 0.000 1.141 62 K CB 0.057 32.709 32.500 0.253 0.000 0.857 62 K HN 0.392 nan 8.250 nan 0.000 0.514 63 I N 1.164 121.810 120.570 0.126 0.000 2.406 63 I HA -0.144 4.025 4.170 -0.000 0.000 0.249 63 I C 1.887 178.055 176.117 0.085 0.000 1.122 63 I CA 1.157 62.495 61.300 0.064 0.000 1.431 63 I CB 0.115 38.055 38.000 -0.101 0.000 1.087 63 I HN 0.172 nan 8.210 nan 0.000 0.424 64 M N -0.993 118.516 119.600 -0.151 0.000 2.563 64 M HA 0.022 4.502 4.480 -0.000 0.000 0.231 64 M C 0.474 176.581 176.300 -0.322 0.000 1.136 64 M CA 0.906 56.017 55.300 -0.314 0.000 1.026 64 M CB -0.242 32.011 32.600 -0.579 0.000 1.597 64 M HN 0.208 nan 8.290 nan 0.000 0.495 65 Y N 0.466 120.889 120.300 0.204 0.000 2.636 65 Y HA 0.386 4.936 4.550 -0.000 0.000 0.260 65 Y C 1.569 177.564 175.900 0.158 0.000 1.177 65 Y CA -1.008 57.184 58.100 0.153 0.000 1.209 65 Y CB 0.254 38.774 38.460 0.101 0.000 1.166 65 Y HN 0.192 nan 8.280 nan 0.000 0.531 66 G N 1.262 110.270 108.800 0.345 0.000 2.554 66 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.238 66 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.238 66 G C 0.767 175.806 174.900 0.231 0.000 1.259 66 G CA -0.305 44.904 45.100 0.181 0.000 0.843 66 G HN 0.639 nan 8.290 nan 0.000 0.582 67 E N 0.313 120.587 120.200 0.125 0.000 2.516 67 E HA -0.061 4.289 4.350 -0.000 0.000 0.199 67 E C 0.330 176.998 176.600 0.114 0.000 1.069 67 E CA 0.650 57.115 56.400 0.108 0.000 0.876 67 E CB 0.196 29.930 29.700 0.056 0.000 0.843 67 E HN 0.375 nan 8.360 nan 0.000 0.530 68 D N 1.054 121.553 120.400 0.165 0.000 2.213 68 D HA -0.017 4.623 4.640 -0.000 0.000 0.205 68 D C 0.245 176.654 176.300 0.181 0.000 0.961 68 D CA 0.222 54.323 54.000 0.169 0.000 0.853 68 D CB -0.026 40.895 40.800 0.202 0.000 0.967 68 D HN -0.030 nan 8.370 nan 0.000 0.496 69 R N 1.345 121.986 120.500 0.234 0.000 3.651 69 R HA -0.142 4.198 4.340 -0.000 0.000 0.201 69 R C 0.060 176.348 176.300 -0.019 0.000 0.627 69 R CA 0.251 56.344 56.100 -0.013 0.000 0.952 69 R CB -0.913 29.364 30.300 -0.039 0.000 1.005 69 R HN 0.292 nan 8.270 nan 0.000 0.327 70 L N 3.207 124.396 121.223 -0.056 0.000 2.540 70 L HA -0.036 4.304 4.340 -0.000 0.000 0.276 70 L C 1.709 178.547 176.870 -0.054 0.000 1.212 70 L CA 0.628 55.437 54.840 -0.052 0.000 0.893 70 L CB 0.245 42.268 42.059 -0.060 0.000 1.138 70 L HN 0.703 nan 8.230 nan 0.000 0.491 71 T N -2.823 111.697 114.554 -0.056 0.000 2.975 71 T HA 0.150 4.499 4.350 -0.000 0.000 0.261 71 T C 0.508 175.153 174.700 -0.091 0.000 0.984 71 T CA -0.107 61.963 62.100 -0.050 0.000 0.911 71 T CB 0.484 69.334 68.868 -0.030 0.000 1.127 71 T HN 0.541 nan 8.240 nan 0.000 0.514 72 T N 3.113 117.581 114.554 -0.143 0.000 2.912 72 T HA 0.549 4.899 4.350 -0.000 0.000 0.299 72 T C -3.092 171.417 174.700 -0.317 0.000 1.052 72 T CA -1.421 60.538 62.100 -0.236 0.000 0.996 72 T CB 2.322 71.098 68.868 -0.154 0.000 1.070 72 T HN -0.172 nan 8.240 nan 0.000 0.465 73 P HA 0.290 nan 4.420 nan 0.000 0.269 73 P C -1.183 175.980 177.300 -0.227 0.000 1.209 73 P CA -0.529 62.282 63.100 -0.482 0.000 0.776 73 P CB 0.390 31.648 31.700 -0.736 0.000 0.876 74 L N 3.532 124.682 121.223 -0.121 0.000 2.372 74 L HA 0.406 4.746 4.340 -0.000 0.000 0.273 74 L C -0.335 176.686 176.870 0.252 0.000 0.989 74 L CA -0.562 54.304 54.840 0.044 0.000 0.841 74 L CB 0.664 42.696 42.059 -0.046 0.000 1.225 74 L HN 0.288 nan 8.230 nan 0.000 0.414 75 L N 3.727 125.082 121.223 0.221 0.000 2.352 75 L HA 0.530 4.870 4.340 -0.000 0.000 0.269 75 L C 0.621 177.609 176.870 0.197 0.000 1.034 75 L CA -0.195 54.769 54.840 0.207 0.000 0.806 75 L CB 1.029 43.158 42.059 0.117 0.000 1.244 75 L HN 0.469 nan 8.230 nan 0.000 0.447 76 R N 5.727 126.298 120.500 0.119 0.000 3.268 76 R HA 0.396 4.736 4.340 -0.000 0.000 0.217 76 R C -1.201 175.189 176.300 0.151 0.000 1.568 76 R CA -0.064 56.010 56.100 -0.043 0.000 1.322 76 R CB -0.348 29.878 30.300 -0.123 0.000 1.280 76 R HN 0.727 nan 8.270 nan 0.000 0.667 77 M N 1.432 121.094 119.600 0.103 0.000 4.045 77 M HA -0.195 4.284 4.480 -0.000 0.000 0.157 77 M C 0.697 177.075 176.300 0.130 0.000 1.532 77 M CA 0.100 55.462 55.300 0.103 0.000 1.097 77 M CB -0.157 32.499 32.600 0.094 0.000 1.346 77 M HN 0.464 nan 8.290 nan 0.000 0.192 78 K N 2.185 122.641 120.400 0.093 0.000 1.965 78 K HA -0.065 4.255 4.320 -0.000 0.000 0.214 78 K C 0.148 176.795 176.600 0.078 0.000 1.046 78 K CA 1.855 58.190 56.287 0.080 0.000 0.944 78 K CB 0.300 32.836 32.500 0.060 0.000 0.726 78 K HN 0.605 nan 8.250 nan 0.000 0.441 79 D N -3.144 117.293 120.400 0.062 0.000 2.419 79 D HA 0.454 5.094 4.640 -0.000 0.000 0.234 79 D C -0.278 176.050 176.300 0.047 0.000 1.014 79 D CA 0.593 54.626 54.000 0.055 0.000 0.919 79 D CB 1.989 42.814 40.800 0.041 0.000 1.366 79 D HN 0.440 nan 8.370 nan 0.000 0.490 80 G N -0.450 108.375 108.800 0.043 0.000 2.211 80 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.201 80 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.201 80 G C 0.716 175.643 174.900 0.045 0.000 0.997 80 G CA 0.232 45.349 45.100 0.027 0.000 0.652 80 G HN 1.014 nan 8.290 nan 0.000 0.500 81 V N -2.281 117.678 119.914 0.076 0.000 0.638 81 V HA 0.012 4.132 4.120 -0.000 0.000 0.092 81 V C -0.251 175.970 176.094 0.212 0.000 1.435 81 V CA 2.049 64.418 62.300 0.116 0.000 3.262 81 V CB -1.110 30.768 31.823 0.092 0.000 0.517 81 V HN 2.377 nan 8.190 nan 0.000 0.521 82 Y N 1.518 121.862 120.300 0.073 0.000 2.189 82 Y HA 0.602 5.152 4.550 -0.000 0.000 0.318 82 Y C -1.356 174.619 175.900 0.126 0.000 1.382 82 Y CA -0.050 58.102 58.100 0.087 0.000 1.442 82 Y CB 0.240 38.753 38.460 0.088 0.000 1.276 82 Y HN 0.718 nan 8.280 nan 0.000 0.413 83 H N 6.327 124.979 119.070 -0.696 0.000 2.840 83 H HA 0.353 4.909 4.556 -0.000 0.000 0.340 83 H C -1.219 173.745 175.328 -0.607 0.000 1.004 83 H CA -0.847 54.802 56.048 -0.664 0.000 1.288 83 H CB 1.890 31.478 29.762 -0.289 0.000 1.607 83 H HN 0.848 nan 8.280 nan 0.000 0.522 84 K N 4.030 123.914 120.400 -0.861 0.000 2.336 84 K HA 0.031 4.351 4.320 -0.000 0.000 0.290 84 K C -0.102 176.326 176.600 -0.287 0.000 1.067 84 K CA 0.592 56.645 56.287 -0.390 0.000 0.962 84 K CB 0.160 32.519 32.500 -0.235 0.000 1.008 84 K HN 0.905 nan 8.250 nan 0.000 0.467 85 E N 1.353 121.511 120.200 -0.069 0.000 4.503 85 E HA -0.084 4.266 4.350 -0.000 0.000 0.381 85 E C 0.122 176.775 176.600 0.090 0.000 0.608 85 E CA 0.175 56.606 56.400 0.053 0.000 1.565 85 E CB -1.140 28.651 29.700 0.153 0.000 1.888 85 E HN 0.887 nan 8.360 nan 0.000 0.314 86 G N 0.513 109.317 108.800 0.005 0.000 2.783 86 G HA2 0.482 4.442 3.960 -0.000 0.000 0.182 86 G HA3 0.482 4.442 3.960 -0.000 0.000 0.182 86 G C 0.212 175.054 174.900 -0.096 0.000 1.516 86 G CA 0.083 45.162 45.100 -0.036 0.000 1.079 86 G HN 0.133 nan 8.290 nan 0.000 0.573 87 E N -1.834 118.302 120.200 -0.107 0.000 2.518 87 E HA 0.643 4.993 4.350 -0.000 0.000 0.241 87 E C -1.666 174.841 176.600 -0.155 0.000 0.899 87 E CA -0.721 55.642 56.400 -0.061 0.000 0.888 87 E CB 1.748 31.455 29.700 0.012 0.000 1.426 87 E HN 0.253 nan 8.360 nan 0.000 0.401 88 F N -0.013 119.971 119.950 0.057 0.000 2.518 88 F HA 0.654 5.181 4.527 -0.000 0.000 0.323 88 F C -0.694 175.127 175.800 0.035 0.000 1.129 88 F CA -0.635 57.396 58.000 0.051 0.000 0.920 88 F CB 2.076 41.100 39.000 0.040 0.000 1.160 88 F HN 0.513 nan 8.300 nan 0.000 0.440 89 A N 5.193 128.167 122.820 0.256 0.000 2.454 89 A HA 0.859 5.179 4.320 -0.000 0.000 0.302 89 A C -2.937 174.704 177.584 0.095 0.000 1.079 89 A CA -2.103 50.018 52.037 0.141 0.000 0.731 89 A CB 1.629 20.688 19.000 0.098 0.000 1.299 89 A HN 0.390 nan 8.150 nan 0.000 0.413 90 P HA 0.369 nan 4.420 nan 0.000 0.270 90 P C -0.798 176.495 177.300 -0.011 0.000 1.223 90 P CA 0.071 63.167 63.100 -0.007 0.000 0.785 90 P CB 0.791 32.486 31.700 -0.008 0.000 0.923 91 V N 0.772 120.650 119.914 -0.060 0.000 3.036 91 V HA 0.242 4.362 4.120 -0.000 0.000 0.280 91 V C -0.335 175.697 176.094 -0.104 0.000 1.497 91 V CA -0.550 61.722 62.300 -0.046 0.000 0.982 91 V CB 2.021 33.833 31.823 -0.019 0.000 1.171 91 V HN 0.677 nan 8.190 nan 0.000 0.444 92 S N 4.251 119.927 115.700 -0.039 0.000 2.569 92 S HA 0.085 4.555 4.470 -0.000 0.000 0.274 92 S C 0.802 175.393 174.600 -0.016 0.000 1.353 92 S CA 1.048 59.242 58.200 -0.009 0.000 1.023 92 S CB 0.491 63.739 63.200 0.080 0.000 0.876 92 S HN 0.743 nan 8.310 nan 0.000 0.540 93 W N 1.444 122.767 121.300 0.037 0.000 2.333 93 W HA -0.097 4.563 4.660 -0.000 0.000 0.316 93 W C 2.365 178.906 176.519 0.037 0.000 1.215 93 W CA 1.271 58.616 57.345 0.001 0.000 1.278 93 W CB -0.333 29.226 29.460 0.166 0.000 1.154 93 W HN 0.764 nan 8.180 nan 0.000 0.486 94 D N 0.131 120.781 120.400 0.417 0.000 2.127 94 D HA -0.223 4.417 4.640 -0.000 0.000 0.190 94 D C 1.785 178.246 176.300 0.268 0.000 1.000 94 D CA 1.973 56.186 54.000 0.355 0.000 0.839 94 D CB -0.549 40.403 40.800 0.254 0.000 0.955 94 D HN 0.360 nan 8.370 nan 0.000 0.446 95 E N 0.743 121.047 120.200 0.173 0.000 2.049 95 E HA -0.204 4.146 4.350 -0.000 0.000 0.198 95 E C 2.189 178.864 176.600 0.125 0.000 1.007 95 E CA 1.139 57.613 56.400 0.122 0.000 0.809 95 E CB -0.157 29.588 29.700 0.075 0.000 0.749 95 E HN 0.213 nan 8.360 nan 0.000 0.450 96 A N 1.017 123.881 122.820 0.073 0.000 1.917 96 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 96 A C 1.957 179.647 177.584 0.177 0.000 1.182 96 A CA 1.500 53.552 52.037 0.026 0.000 0.633 96 A CB -0.722 18.179 19.000 -0.166 0.000 0.819 96 A HN 0.167 nan 8.150 nan 0.000 0.448 97 F N 0.458 120.559 119.950 0.252 0.000 2.206 97 F HA -0.064 4.463 4.527 -0.000 0.000 0.298 97 F C 2.055 177.982 175.800 0.212 0.000 1.090 97 F CA 0.946 59.116 58.000 0.283 0.000 1.323 97 F CB -0.838 38.371 39.000 0.348 0.000 1.028 97 F HN 0.219 nan 8.300 nan 0.000 0.492 98 D N 0.108 120.711 120.400 0.338 0.000 2.106 98 D HA -0.169 4.471 4.640 -0.000 0.000 0.191 98 D C 2.526 178.898 176.300 0.121 0.000 0.997 98 D CA 1.515 55.619 54.000 0.174 0.000 0.834 98 D CB -0.624 40.251 40.800 0.125 0.000 0.956 98 D HN 0.083 nan 8.370 nan 0.000 0.448 99 V N 0.692 120.672 119.914 0.109 0.000 2.358 99 V HA -0.181 3.939 4.120 -0.000 0.000 0.246 99 V C 2.407 178.482 176.094 -0.032 0.000 1.047 99 V CA 1.296 63.598 62.300 0.003 0.000 1.035 99 V CB -0.389 31.419 31.823 -0.026 0.000 0.658 99 V HN 0.232 nan 8.190 nan 0.000 0.452 100 M N -0.343 119.357 119.600 0.167 0.000 2.296 100 M HA -0.086 4.394 4.480 -0.000 0.000 0.265 100 M C 2.017 178.600 176.300 0.471 0.000 1.064 100 M CA 1.698 57.191 55.300 0.321 0.000 1.109 100 M CB -0.143 32.636 32.600 0.299 0.000 1.396 100 M HN 0.405 nan 8.290 nan 0.000 0.430 101 A N -0.129 122.943 122.820 0.419 0.000 1.903 101 A HA 0.107 4.427 4.320 -0.000 0.000 0.213 101 A C 2.241 179.845 177.584 0.034 0.000 1.185 101 A CA 1.288 53.505 52.037 0.301 0.000 0.628 101 A CB -0.899 18.096 19.000 -0.008 0.000 0.830 101 A HN 0.542 nan 8.150 nan 0.000 0.446 102 A N -0.647 122.164 122.820 -0.016 0.000 1.865 102 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 102 A C 2.120 179.660 177.584 -0.074 0.000 1.191 102 A CA 1.780 53.776 52.037 -0.068 0.000 0.623 102 A CB -0.615 18.345 19.000 -0.068 0.000 0.826 102 A HN 0.486 nan 8.150 nan 0.000 0.444 103 Q N -0.429 119.297 119.800 -0.123 0.000 2.112 103 Q HA -0.211 4.129 4.340 -0.000 0.000 0.206 103 Q C 2.469 178.482 176.000 0.023 0.000 0.987 103 Q CA 1.730 57.453 55.803 -0.134 0.000 0.858 103 Q CB -0.833 27.596 28.738 -0.515 0.000 0.905 103 Q HN 0.674 nan 8.270 nan 0.000 0.420 104 A N 1.679 124.467 122.820 -0.053 0.000 1.834 104 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 104 A C 2.119 179.579 177.584 -0.206 0.000 1.203 104 A CA 1.911 53.662 52.037 -0.476 0.000 0.621 104 A CB -0.598 18.069 19.000 -0.554 0.000 0.841 104 A HN 0.316 nan 8.150 nan 0.000 0.446 105 K N -0.772 119.596 120.400 -0.053 0.000 2.077 105 K HA -0.258 4.062 4.320 -0.000 0.000 0.213 105 K C 1.953 178.534 176.600 -0.033 0.000 1.051 105 K CA 1.794 58.071 56.287 -0.015 0.000 0.929 105 K CB -0.694 31.774 32.500 -0.052 0.000 0.715 105 K HN 0.485 nan 8.250 nan 0.000 0.451 106 L N 1.055 122.258 121.223 -0.034 0.000 1.943 106 L HA -0.199 4.141 4.340 -0.000 0.000 0.215 106 L C 2.082 178.949 176.870 -0.005 0.000 1.074 106 L CA 1.684 56.515 54.840 -0.016 0.000 0.759 106 L CB -0.863 41.190 42.059 -0.011 0.000 0.888 106 L HN -0.047 nan 8.230 nan 0.000 0.433 107 V N -0.073 119.845 119.914 0.007 0.000 2.370 107 V HA -0.281 3.839 4.120 -0.000 0.000 0.252 107 V C 2.416 178.511 176.094 0.001 0.000 1.068 107 V CA 1.839 64.157 62.300 0.030 0.000 1.061 107 V CB -0.938 30.941 31.823 0.094 0.000 0.656 107 V HN 0.510 nan 8.190 nan 0.000 0.455 108 L N -0.490 120.707 121.223 -0.043 0.000 2.762 108 L HA 0.099 4.439 4.340 -0.000 0.000 0.250 108 L C 1.459 178.326 176.870 -0.004 0.000 1.160 108 L CA 1.365 56.178 54.840 -0.046 0.000 0.951 108 L CB -0.691 41.298 42.059 -0.117 0.000 1.148 108 L HN 0.130 nan 8.230 nan 0.000 0.424 109 K N -1.913 118.488 120.400 0.001 0.000 2.591 109 K HA 0.188 4.508 4.320 -0.000 0.000 0.207 109 K C 1.280 177.883 176.600 0.006 0.000 1.711 109 K CA 0.162 56.453 56.287 0.007 0.000 1.059 109 K CB 0.650 33.154 32.500 0.006 0.000 1.449 109 K HN 0.204 nan 8.250 nan 0.000 0.605 110 E N 0.596 120.799 120.200 0.006 0.000 2.251 110 E HA 0.105 4.455 4.350 -0.000 0.000 0.194 110 E C 0.676 177.276 176.600 0.001 0.000 0.964 110 E CA 0.731 57.134 56.400 0.005 0.000 0.868 110 E CB 0.597 30.303 29.700 0.010 0.000 0.828 110 E HN 0.028 nan 8.360 nan 0.000 0.481 111 K N -0.967 119.434 120.400 0.002 0.000 2.562 111 K HA 0.301 4.621 4.320 -0.000 0.000 0.218 111 K C -0.062 176.527 176.600 -0.019 0.000 1.374 111 K CA 0.467 56.748 56.287 -0.010 0.000 0.996 111 K CB 1.910 34.410 32.500 -0.001 0.000 1.127 111 K HN 0.107 nan 8.250 nan 0.000 0.603 112 A N 1.575 124.393 122.820 -0.002 0.000 6.365 112 A HA -0.184 4.136 4.320 -0.000 0.000 0.240 112 A C -2.031 175.571 177.584 0.030 0.000 2.238 112 A CA 0.084 52.126 52.037 0.007 0.000 0.699 112 A CB -1.961 17.035 19.000 -0.006 0.000 0.959 112 A HN 0.093 nan 8.150 nan 0.000 0.362 113 P HA -0.193 nan 4.420 nan 0.000 0.220 113 P C 0.775 178.212 177.300 0.229 0.000 1.155 113 P CA 2.130 65.364 63.100 0.223 0.000 0.880 113 P CB -0.388 31.559 31.700 0.411 0.000 0.790 114 E N -1.139 119.012 120.200 -0.081 0.000 2.520 114 E HA 0.081 4.431 4.350 -0.000 0.000 0.201 114 E C 1.329 177.950 176.600 0.035 0.000 1.122 114 E CA 0.509 56.802 56.400 -0.179 0.000 0.896 114 E CB -0.298 29.066 29.700 -0.560 0.000 0.891 114 E HN 0.302 nan 8.360 nan 0.000 0.533 115 A N 0.628 123.508 122.820 0.101 0.000 2.312 115 A HA 0.132 4.452 4.320 -0.000 0.000 0.215 115 A C 0.940 178.657 177.584 0.222 0.000 1.256 115 A CA -0.241 51.871 52.037 0.125 0.000 0.966 115 A CB 0.525 19.571 19.000 0.077 0.000 1.053 115 A HN 0.105 nan 8.150 nan 0.000 0.510 116 V N -1.524 118.549 119.914 0.265 0.000 2.644 116 V HA 0.836 4.956 4.120 -0.000 0.000 0.295 116 V C 0.220 176.587 176.094 0.456 0.000 1.053 116 V CA -0.039 62.488 62.300 0.378 0.000 0.987 116 V CB 1.016 32.966 31.823 0.211 0.000 1.006 116 V HN 0.600 nan 8.190 nan 0.000 0.472 117 G N 3.259 112.401 108.800 0.571 0.000 2.753 117 G HA2 0.623 4.583 3.960 -0.000 0.000 0.297 117 G HA3 0.623 4.583 3.960 -0.000 0.000 0.297 117 G C -1.312 173.837 174.900 0.414 0.000 1.430 117 G CA -0.867 44.563 45.100 0.551 0.000 1.040 117 G HN 0.652 nan 8.290 nan 0.000 0.530 118 M N 1.291 121.084 119.600 0.322 0.000 2.528 118 M HA 0.556 5.036 4.480 -0.000 0.000 0.321 118 M C -1.669 174.726 176.300 0.159 0.000 1.153 118 M CA -0.822 54.590 55.300 0.186 0.000 0.951 118 M CB 2.720 35.503 32.600 0.305 0.000 1.705 118 M HN 0.438 nan 8.290 nan 0.000 0.451 119 F N 1.604 121.414 119.950 -0.233 0.000 2.646 119 F HA 0.577 5.104 4.527 -0.000 0.000 0.364 119 F C 0.144 175.721 175.800 -0.373 0.000 1.137 119 F CA -0.702 57.168 58.000 -0.218 0.000 1.085 119 F CB 0.678 39.562 39.000 -0.193 0.000 1.331 119 F HN 0.570 nan 8.300 nan 0.000 0.472 120 G N 1.847 110.177 108.800 -0.782 0.000 2.509 120 G HA2 0.568 4.528 3.960 -0.000 0.000 0.269 120 G HA3 0.568 4.528 3.960 -0.000 0.000 0.269 120 G C -0.784 173.395 174.900 -1.201 0.000 1.416 120 G CA -0.038 44.167 45.100 -1.493 0.000 1.052 120 G HN 0.847 nan 8.290 nan 0.000 0.542 121 S N -3.271 111.793 115.700 -1.060 0.000 2.565 121 S HA 0.508 4.978 4.470 -0.000 0.000 0.269 121 S C 0.563 175.057 174.600 -0.176 0.000 1.153 121 S CA 0.212 58.091 58.200 -0.534 0.000 0.835 121 S CB 1.293 64.236 63.200 -0.428 0.000 1.122 121 S HN 1.357 nan 8.310 nan 0.000 0.462 122 G N -0.080 108.679 108.800 -0.068 0.000 3.061 122 G HA2 0.144 4.104 3.960 -0.000 0.000 0.208 122 G HA3 0.144 4.104 3.960 -0.000 0.000 0.208 122 G C 0.588 175.516 174.900 0.046 0.000 1.175 122 G CA 0.028 45.156 45.100 0.046 0.000 0.812 122 G HN 0.724 nan 8.290 nan 0.000 0.523 123 Q N -1.356 118.484 119.800 0.067 0.000 2.281 123 Q HA 0.103 4.443 4.340 -0.000 0.000 0.215 123 Q C 0.170 176.386 176.000 0.359 0.000 0.867 123 Q CA -0.683 55.192 55.803 0.121 0.000 0.940 123 Q CB 0.689 29.519 28.738 0.152 0.000 1.111 123 Q HN 0.369 nan 8.270 nan 0.000 0.513 124 W N 2.155 123.550 121.300 0.158 0.000 2.170 124 W HA 0.128 4.788 4.660 -0.000 0.000 0.336 124 W C 0.582 177.227 176.519 0.209 0.000 1.283 124 W CA -0.253 57.172 57.345 0.133 0.000 1.224 124 W CB 0.660 30.123 29.460 0.005 0.000 1.132 124 W HN -0.165 nan 8.180 nan 0.000 0.571 125 T N 4.713 119.426 114.554 0.265 0.000 2.860 125 T HA 0.079 4.429 4.350 -0.000 0.000 0.299 125 T C 1.976 176.466 174.700 -0.349 0.000 1.045 125 T CA -0.447 61.528 62.100 -0.209 0.000 1.071 125 T CB 0.707 69.181 68.868 -0.657 0.000 0.985 125 T HN 0.259 nan 8.240 nan 0.000 0.537 126 I N 0.237 120.463 120.570 -0.574 0.000 2.113 126 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 126 I C 2.079 177.966 176.117 -0.383 0.000 1.064 126 I CA 1.939 62.965 61.300 -0.457 0.000 1.320 126 I CB -0.274 37.463 38.000 -0.437 0.000 1.028 126 I HN 0.854 nan 8.210 nan 0.000 0.406 127 W N 0.917 122.106 121.300 -0.186 0.000 2.937 127 W HA 0.056 4.716 4.660 -0.000 0.000 0.245 127 W C 1.816 178.192 176.519 -0.239 0.000 1.306 127 W CA 0.062 57.320 57.345 -0.145 0.000 1.470 127 W CB -1.045 28.358 29.460 -0.095 0.000 1.132 127 W HN 0.080 nan 8.180 nan 0.000 0.675 128 E N 0.652 120.728 120.200 -0.207 0.000 2.170 128 E HA 0.005 4.355 4.350 -0.000 0.000 0.191 128 E C 2.485 178.477 176.600 -1.013 0.000 0.981 128 E CA 1.000 57.090 56.400 -0.518 0.000 0.830 128 E CB -0.407 28.970 29.700 -0.538 0.000 0.775 128 E HN 0.448 nan 8.360 nan 0.000 0.470 129 G N 0.207 108.579 108.800 -0.713 0.000 2.511 129 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 129 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 129 G C 1.268 175.946 174.900 -0.369 0.000 1.133 129 G CA 0.124 44.848 45.100 -0.627 0.000 0.792 129 G HN 0.247 nan 8.290 nan 0.000 0.539 130 Y N 1.372 121.425 120.300 -0.411 0.000 2.176 130 Y HA 0.187 4.737 4.550 -0.000 0.000 0.291 130 Y C 2.925 178.670 175.900 -0.259 0.000 1.122 130 Y CA 1.144 59.063 58.100 -0.301 0.000 1.128 130 Y CB 0.053 38.344 38.460 -0.281 0.000 1.005 130 Y HN 0.217 nan 8.280 nan 0.000 0.509 131 A N 0.569 123.216 122.820 -0.288 0.000 1.978 131 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 131 A C 2.249 179.642 177.584 -0.317 0.000 1.170 131 A CA 1.764 53.647 52.037 -0.257 0.000 0.636 131 A CB -1.300 17.545 19.000 -0.258 0.000 0.810 131 A HN 0.619 nan 8.150 nan 0.000 0.448 132 A N -1.078 121.459 122.820 -0.471 0.000 1.854 132 A HA -0.040 4.280 4.320 -0.000 0.000 0.214 132 A C 2.457 179.879 177.584 -0.269 0.000 1.192 132 A CA 1.922 53.710 52.037 -0.415 0.000 0.611 132 A CB -1.078 17.468 19.000 -0.756 0.000 0.832 132 A HN 0.508 nan 8.150 nan 0.000 0.442 133 S N -0.544 114.991 115.700 -0.275 0.000 2.359 133 S HA -0.248 4.222 4.470 -0.000 0.000 0.223 133 S C 2.108 176.519 174.600 -0.314 0.000 1.039 133 S CA 2.155 60.255 58.200 -0.167 0.000 1.042 133 S CB -0.329 62.836 63.200 -0.057 0.000 0.915 133 S HN 0.558 nan 8.310 nan 0.000 0.439 134 K N 0.100 120.108 120.400 -0.654 0.000 2.001 134 K HA -0.139 4.180 4.320 -0.000 0.000 0.214 134 K C 2.117 178.339 176.600 -0.630 0.000 1.050 134 K CA 1.742 57.411 56.287 -1.030 0.000 0.934 134 K CB -0.499 31.240 32.500 -1.268 0.000 0.718 134 K HN 0.342 nan 8.250 nan 0.000 0.443 135 L N 0.718 121.666 121.223 -0.459 0.000 2.042 135 L HA -0.202 4.137 4.340 -0.000 0.000 0.210 135 L C 2.016 178.639 176.870 -0.411 0.000 1.076 135 L CA 1.793 56.378 54.840 -0.425 0.000 0.749 135 L CB -0.324 41.597 42.059 -0.229 0.000 0.893 135 L HN 0.270 nan 8.230 nan 0.000 0.432 136 M N -1.030 118.463 119.600 -0.177 0.000 2.200 136 M HA -0.092 4.388 4.480 -0.000 0.000 0.265 136 M C 2.384 178.693 176.300 0.015 0.000 1.066 136 M CA 1.547 56.861 55.300 0.023 0.000 1.127 136 M CB -0.758 31.917 32.600 0.124 0.000 1.379 136 M HN 0.308 nan 8.290 nan 0.000 0.420 137 R N -0.604 119.859 120.500 -0.062 0.000 2.038 137 R HA 0.221 4.561 4.340 -0.000 0.000 0.214 137 R C 2.271 178.555 176.300 -0.027 0.000 1.249 137 R CA 0.950 57.041 56.100 -0.015 0.000 1.025 137 R CB -0.730 29.599 30.300 0.048 0.000 0.911 137 R HN 0.272 nan 8.270 nan 0.000 0.456 138 A N 0.973 123.748 122.820 -0.076 0.000 2.024 138 A HA -0.070 4.250 4.320 -0.000 0.000 0.220 138 A C 1.940 179.534 177.584 0.017 0.000 1.164 138 A CA 1.918 53.910 52.037 -0.074 0.000 0.643 138 A CB -1.007 17.873 19.000 -0.199 0.000 0.806 138 A HN 0.486 nan 8.150 nan 0.000 0.451 139 G N -1.377 107.351 108.800 -0.120 0.000 2.558 139 G HA2 0.124 4.084 3.960 -0.000 0.000 0.218 139 G HA3 0.124 4.084 3.960 -0.000 0.000 0.218 139 G C 1.068 176.004 174.900 0.060 0.000 1.567 139 G CA 0.415 45.430 45.100 -0.142 0.000 0.950 139 G HN 0.413 nan 8.290 nan 0.000 0.517 140 F N 0.819 120.742 119.950 -0.045 0.000 2.722 140 F HA 0.147 4.674 4.527 -0.000 0.000 0.298 140 F C 1.225 177.080 175.800 0.091 0.000 1.175 140 F CA 0.139 58.120 58.000 -0.032 0.000 1.462 140 F CB 0.006 38.958 39.000 -0.080 0.000 1.111 140 F HN 0.031 nan 8.300 nan 0.000 0.592 141 R N 0.754 121.397 120.500 0.237 0.000 3.333 141 R HA -0.195 4.145 4.340 -0.000 0.000 0.256 141 R C -0.289 176.187 176.300 0.294 0.000 1.010 141 R CA 0.611 56.821 56.100 0.184 0.000 0.680 141 R CB -1.863 28.538 30.300 0.169 0.000 1.102 141 R HN 0.219 nan 8.270 nan 0.000 0.440 142 S N -0.343 115.502 115.700 0.242 0.000 2.532 142 S HA 0.415 4.885 4.470 -0.000 0.000 0.299 142 S C 0.271 174.806 174.600 -0.108 0.000 1.105 142 S CA -0.933 57.431 58.200 0.273 0.000 1.018 142 S CB 1.306 64.789 63.200 0.471 0.000 1.021 142 S HN 0.271 nan 8.310 nan 0.000 0.483 143 N N 3.746 122.041 118.700 -0.676 0.000 2.279 143 N HA 0.155 4.895 4.740 -0.000 0.000 0.226 143 N C -0.091 175.349 175.510 -0.117 0.000 1.126 143 N CA 0.006 52.784 53.050 -0.454 0.000 0.846 143 N CB -0.139 37.928 38.487 -0.700 0.000 1.050 143 N HN 0.679 nan 8.380 nan 0.000 0.502 144 N N 0.861 119.630 118.700 0.116 0.000 2.484 144 N HA 0.020 4.760 4.740 -0.000 0.000 0.245 144 N C -0.620 175.067 175.510 0.295 0.000 1.184 144 N CA -0.142 53.091 53.050 0.305 0.000 0.884 144 N CB 0.168 38.921 38.487 0.444 0.000 1.182 144 N HN 0.074 nan 8.380 nan 0.000 0.493 145 L N 0.570 121.926 121.223 0.221 0.000 2.276 145 L HA 0.458 4.798 4.340 -0.000 0.000 0.286 145 L C -1.010 175.980 176.870 0.198 0.000 1.024 145 L CA -0.168 54.804 54.840 0.220 0.000 0.826 145 L CB 1.014 43.177 42.059 0.173 0.000 1.211 145 L HN -0.108 nan 8.230 nan 0.000 0.422 146 D N 6.378 126.913 120.400 0.226 0.000 2.601 146 D HA 0.687 5.327 4.640 -0.000 0.000 0.230 146 D C -2.881 173.347 176.300 -0.120 0.000 1.106 146 D CA -1.268 52.826 54.000 0.157 0.000 0.873 146 D CB 3.080 44.095 40.800 0.359 0.000 1.515 146 D HN 0.327 nan 8.370 nan 0.000 0.468 147 P HA 0.270 nan 4.420 nan 0.000 0.292 147 P C -0.039 176.737 177.300 -0.873 0.000 1.304 147 P CA -0.418 62.201 63.100 -0.801 0.000 0.848 147 P CB 1.165 32.406 31.700 -0.765 0.000 1.260 148 N N -0.223 117.920 118.700 -0.927 0.000 2.457 148 N HA -0.075 4.665 4.740 -0.000 0.000 0.180 148 N C 1.501 176.876 175.510 -0.224 0.000 1.050 148 N CA 1.063 53.790 53.050 -0.538 0.000 0.906 148 N CB -1.571 36.719 38.487 -0.327 0.000 0.968 148 N HN 0.362 nan 8.380 nan 0.000 0.445 149 A N 0.970 123.661 122.820 -0.216 0.000 2.178 149 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 149 A C 2.271 179.989 177.584 0.222 0.000 1.157 149 A CA 1.069 53.129 52.037 0.038 0.000 0.689 149 A CB -0.713 18.330 19.000 0.071 0.000 0.787 149 A HN 0.362 nan 8.150 nan 0.000 0.465 150 R N -0.761 119.807 120.500 0.112 0.000 2.115 150 R HA -0.142 4.198 4.340 -0.000 0.000 0.230 150 R C 1.662 178.136 176.300 0.291 0.000 1.111 150 R CA 1.671 57.937 56.100 0.277 0.000 0.976 150 R CB -0.382 30.046 30.300 0.212 0.000 0.870 150 R HN 0.612 nan 8.270 nan 0.000 0.445 151 H N -1.521 117.720 119.070 0.286 0.000 2.529 151 H HA -0.004 4.552 4.556 -0.000 0.000 0.277 151 H C 1.708 177.203 175.328 0.278 0.000 0.999 151 H CA 0.926 57.166 56.048 0.320 0.000 1.256 151 H CB -0.224 29.729 29.762 0.318 0.000 1.402 151 H HN 0.341 nan 8.280 nan 0.000 0.566 152 C N -0.381 119.121 119.300 0.336 0.000 2.508 152 C HA 0.124 4.584 4.460 -0.000 0.000 0.303 152 C C 1.944 177.105 174.990 0.284 0.000 1.496 152 C CA 0.085 59.270 59.018 0.277 0.000 2.041 152 C CB -0.333 27.538 27.740 0.218 0.000 2.011 152 C HN 0.265 nan 8.230 nan 0.000 0.655 153 M N 1.441 121.223 119.600 0.304 0.000 2.382 153 M HA 0.321 4.801 4.480 -0.000 0.000 0.247 153 M C 1.986 178.450 176.300 0.273 0.000 1.104 153 M CA 0.699 56.175 55.300 0.294 0.000 1.030 153 M CB -1.426 31.357 32.600 0.305 0.000 1.424 153 M HN 0.515 nan 8.290 nan 0.000 0.486 154 A N 0.634 123.629 122.820 0.292 0.000 1.870 154 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 154 A C 2.458 180.130 177.584 0.148 0.000 1.224 154 A CA 2.735 54.893 52.037 0.203 0.000 0.650 154 A CB -1.065 18.077 19.000 0.238 0.000 0.836 154 A HN 0.449 nan 8.150 nan 0.000 0.454 155 S N -0.355 115.442 115.700 0.162 0.000 2.368 155 S HA -0.198 4.271 4.470 -0.000 0.000 0.226 155 S C 2.310 176.989 174.600 0.132 0.000 1.044 155 S CA 1.787 60.063 58.200 0.126 0.000 1.062 155 S CB -0.696 62.589 63.200 0.142 0.000 0.931 155 S HN 0.922 nan 8.310 nan 0.000 0.440 156 A N 1.319 124.258 122.820 0.199 0.000 1.902 156 A HA 0.123 4.443 4.320 -0.000 0.000 0.217 156 A C 2.366 180.084 177.584 0.223 0.000 1.181 156 A CA 1.792 53.948 52.037 0.198 0.000 0.623 156 A CB -1.099 18.056 19.000 0.257 0.000 0.818 156 A HN 0.542 nan 8.150 nan 0.000 0.443 157 A N -1.149 121.848 122.820 0.296 0.000 1.898 157 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 157 A C 2.314 180.050 177.584 0.254 0.000 1.181 157 A CA 2.273 54.523 52.037 0.355 0.000 0.620 157 A CB -1.283 17.799 19.000 0.135 0.000 0.819 157 A HN 0.415 nan 8.150 nan 0.000 0.442 158 T N 0.348 114.982 114.554 0.134 0.000 2.652 158 T HA -0.094 4.256 4.350 -0.000 0.000 0.267 158 T C 2.223 176.976 174.700 0.088 0.000 1.039 158 T CA 1.912 64.066 62.100 0.090 0.000 1.153 158 T CB -0.523 68.375 68.868 0.050 0.000 0.863 158 T HN 0.608 nan 8.240 nan 0.000 0.428 159 A N 0.254 123.081 122.820 0.012 0.000 2.024 159 A HA -0.018 4.302 4.320 -0.000 0.000 0.220 159 A C 2.034 179.579 177.584 -0.065 0.000 1.164 159 A CA 1.243 53.158 52.037 -0.203 0.000 0.643 159 A CB -1.048 17.726 19.000 -0.377 0.000 0.806 159 A HN 0.539 nan 8.150 nan 0.000 0.451 160 F N -0.726 119.274 119.950 0.084 0.000 2.069 160 F HA -0.281 4.246 4.527 -0.000 0.000 0.298 160 F C 2.684 178.554 175.800 0.116 0.000 1.113 160 F CA 1.446 59.529 58.000 0.137 0.000 1.214 160 F CB -0.166 38.913 39.000 0.132 0.000 0.978 160 F HN 0.134 nan 8.300 nan 0.000 0.474 161 M N 0.185 119.970 119.600 0.308 0.000 2.065 161 M HA -0.216 4.264 4.480 -0.000 0.000 0.259 161 M C 2.112 178.484 176.300 0.121 0.000 1.071 161 M CA 1.770 57.185 55.300 0.192 0.000 1.109 161 M CB -1.488 31.205 32.600 0.155 0.000 1.313 161 M HN 0.082 nan 8.290 nan 0.000 0.408 162 R N -0.121 120.444 120.500 0.109 0.000 2.112 162 R HA -0.172 4.168 4.340 -0.000 0.000 0.242 162 R C 2.223 178.529 176.300 0.009 0.000 1.137 162 R CA 2.371 58.531 56.100 0.100 0.000 0.944 162 R CB -1.283 29.159 30.300 0.237 0.000 0.857 162 R HN 0.624 nan 8.270 nan 0.000 0.435 163 T N -2.127 112.377 114.554 -0.083 0.000 2.942 163 T HA -0.002 4.348 4.350 -0.000 0.000 0.265 163 T C 1.433 175.648 174.700 -0.807 0.000 1.062 163 T CA 0.863 62.668 62.100 -0.491 0.000 1.139 163 T CB -0.023 68.336 68.868 -0.848 0.000 0.883 163 T HN 0.169 nan 8.240 nan 0.000 0.468 164 F N 0.686 120.507 119.950 -0.214 0.000 2.728 164 F HA 0.537 5.064 4.527 -0.000 0.000 0.314 164 F C 1.926 177.650 175.800 -0.127 0.000 1.094 164 F CA -0.315 57.530 58.000 -0.259 0.000 1.217 164 F CB 0.296 39.166 39.000 -0.217 0.000 1.056 164 F HN 0.316 nan 8.300 nan 0.000 0.577 165 G N 1.215 110.081 108.800 0.110 0.000 2.166 165 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.260 165 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.260 165 G C 0.103 175.090 174.900 0.146 0.000 0.986 165 G CA 0.583 45.747 45.100 0.106 0.000 0.683 165 G HN 0.341 nan 8.290 nan 0.000 0.527 166 M N -0.389 119.320 119.600 0.181 0.000 2.413 166 M HA 0.331 4.811 4.480 -0.000 0.000 0.287 166 M C -1.322 175.018 176.300 0.066 0.000 1.186 166 M CA -0.781 54.617 55.300 0.164 0.000 0.927 166 M CB 1.860 34.563 32.600 0.172 0.000 1.715 166 M HN 0.106 nan 8.290 nan 0.000 0.478 167 D N 2.162 122.569 120.400 0.010 0.000 2.383 167 D HA 0.328 4.968 4.640 -0.000 0.000 0.248 167 D C -0.748 175.154 176.300 -0.664 0.000 1.170 167 D CA 1.152 54.979 54.000 -0.287 0.000 0.977 167 D CB 0.798 41.583 40.800 -0.025 0.000 1.120 167 D HN 0.511 nan 8.370 nan 0.000 0.481 168 E N -1.498 117.960 120.200 -1.237 0.000 8.380 168 E HA -0.142 4.208 4.350 -0.000 0.000 0.467 168 E C -2.455 173.460 176.600 -1.142 0.000 0.976 168 E CA -0.072 55.750 56.400 -0.963 0.000 1.699 168 E CB -1.649 27.828 29.700 -0.371 0.000 0.997 168 E HN 0.334 nan 8.360 nan 0.000 0.265 169 P HA -0.004 nan 4.420 nan 0.000 0.270 169 P C 1.061 178.153 177.300 -0.346 0.000 1.227 169 P CA 0.046 63.006 63.100 -0.232 0.000 0.788 169 P CB 0.285 31.728 31.700 -0.429 0.000 0.926 170 M N -0.817 118.654 119.600 -0.215 0.000 2.367 170 M HA 0.317 4.797 4.480 -0.000 0.000 0.256 170 M C 0.665 176.903 176.300 -0.104 0.000 1.091 170 M CA 0.531 55.663 55.300 -0.280 0.000 1.049 170 M CB -0.952 31.559 32.600 -0.148 0.000 1.406 170 M HN 0.212 nan 8.290 nan 0.000 0.498 171 G N 1.291 110.101 108.800 0.017 0.000 2.702 171 G HA2 0.638 4.598 3.960 -0.000 0.000 0.254 171 G HA3 0.638 4.598 3.960 -0.000 0.000 0.254 171 G C -0.714 174.110 174.900 -0.127 0.000 1.380 171 G CA 0.097 45.240 45.100 0.072 0.000 1.042 171 G HN 0.757 nan 8.290 nan 0.000 0.557 172 C N -4.055 115.086 119.300 -0.265 0.000 3.292 172 C HA 0.457 4.917 4.460 -0.000 0.000 0.338 172 C C 0.970 175.708 174.990 -0.420 0.000 1.323 172 C CA -1.124 57.643 59.018 -0.418 0.000 1.232 172 C CB -0.293 27.014 27.740 -0.723 0.000 1.517 172 C HN 0.857 nan 8.230 nan 0.000 0.470 173 Y N 0.144 120.216 120.300 -0.380 0.000 2.283 173 Y HA -0.236 4.313 4.550 -0.000 0.000 0.285 173 Y C 1.868 177.771 175.900 0.005 0.000 1.176 173 Y CA 1.657 59.689 58.100 -0.113 0.000 1.229 173 Y CB -0.267 38.269 38.460 0.127 0.000 0.975 173 Y HN 0.781 nan 8.280 nan 0.000 0.537 174 D N 0.185 120.608 120.400 0.038 0.000 2.265 174 D HA -0.164 4.476 4.640 -0.000 0.000 0.208 174 D C 1.503 177.899 176.300 0.159 0.000 0.977 174 D CA 1.256 55.300 54.000 0.074 0.000 0.871 174 D CB -0.211 40.519 40.800 -0.117 0.000 0.925 174 D HN 0.309 nan 8.370 nan 0.000 0.485 175 D N -0.597 119.827 120.400 0.040 0.000 2.144 175 D HA -0.140 4.500 4.640 -0.000 0.000 0.199 175 D C 1.761 178.054 176.300 -0.012 0.000 0.984 175 D CA 0.535 54.538 54.000 0.005 0.000 0.834 175 D CB -0.309 40.405 40.800 -0.144 0.000 0.955 175 D HN 0.323 nan 8.370 nan 0.000 0.465 176 F N 1.100 121.109 119.950 0.098 0.000 2.147 176 F HA -0.207 4.320 4.527 -0.000 0.000 0.301 176 F C 2.266 178.189 175.800 0.204 0.000 1.084 176 F CA 1.027 59.149 58.000 0.205 0.000 1.268 176 F CB -0.038 39.002 39.000 0.067 0.000 1.009 176 F HN -0.084 nan 8.300 nan 0.000 0.486 177 E N -0.571 119.814 120.200 0.307 0.000 2.385 177 E HA 0.059 4.409 4.350 -0.000 0.000 0.194 177 E C 1.844 178.536 176.600 0.153 0.000 1.013 177 E CA 0.703 57.235 56.400 0.219 0.000 0.866 177 E CB -0.091 29.715 29.700 0.176 0.000 0.832 177 E HN 0.329 nan 8.360 nan 0.000 0.500 178 A N 0.563 123.447 122.820 0.108 0.000 2.014 178 A HA 0.497 4.817 4.320 -0.000 0.000 0.210 178 A C 1.417 178.977 177.584 -0.039 0.000 1.188 178 A CA 0.389 52.448 52.037 0.036 0.000 0.731 178 A CB -0.167 18.854 19.000 0.035 0.000 0.858 178 A HN 0.223 nan 8.150 nan 0.000 0.464 179 A N 0.192 122.929 122.820 -0.138 0.000 2.567 179 A HA 0.224 4.544 4.320 -0.000 0.000 0.236 179 A C 0.477 177.909 177.584 -0.252 0.000 1.088 179 A CA 0.822 52.645 52.037 -0.357 0.000 0.776 179 A CB 0.091 18.526 19.000 -0.942 0.000 1.033 179 A HN 0.323 nan 8.150 nan 0.000 0.513 180 D N -0.681 119.578 120.400 -0.236 0.000 2.449 180 D HA 0.449 5.089 4.640 -0.000 0.000 0.210 180 D C 0.019 176.271 176.300 -0.080 0.000 1.094 180 D CA 1.433 55.441 54.000 0.013 0.000 0.846 180 D CB 0.710 41.593 40.800 0.137 0.000 1.003 180 D HN 0.914 nan 8.370 nan 0.000 0.504 181 A N 0.170 122.690 122.820 -0.499 0.000 2.596 181 A HA 0.449 4.769 4.320 -0.000 0.000 0.305 181 A C -1.832 174.860 177.584 -1.485 0.000 1.032 181 A CA -0.730 50.901 52.037 -0.676 0.000 0.776 181 A CB 0.015 18.920 19.000 -0.159 0.000 1.253 181 A HN -0.061 nan 8.150 nan 0.000 0.402 182 F N 1.065 120.514 119.950 -0.836 0.000 2.443 182 F HA 0.640 5.167 4.527 -0.000 0.000 0.335 182 F C 0.337 175.815 175.800 -0.536 0.000 1.104 182 F CA -0.802 56.793 58.000 -0.676 0.000 1.013 182 F CB 2.217 41.067 39.000 -0.250 0.000 1.136 182 F HN 0.319 nan 8.300 nan 0.000 0.470 183 V N 4.701 124.465 119.914 -0.251 0.000 2.409 183 V HA 0.350 4.470 4.120 -0.000 0.000 0.291 183 V C -0.607 175.582 176.094 0.158 0.000 1.020 183 V CA -0.665 61.672 62.300 0.062 0.000 0.848 183 V CB 1.814 33.864 31.823 0.378 0.000 0.990 183 V HN 0.523 nan 8.190 nan 0.000 0.430 184 L N 5.570 126.826 121.223 0.056 0.000 2.314 184 L HA 0.414 4.754 4.340 -0.000 0.000 0.275 184 L C -0.547 176.317 176.870 -0.009 0.000 1.068 184 L CA 0.113 55.015 54.840 0.103 0.000 0.894 184 L CB 0.554 42.677 42.059 0.106 0.000 1.275 184 L HN 0.658 nan 8.230 nan 0.000 0.432 185 W N 4.742 126.080 121.300 0.064 0.000 1.539 185 W HA 0.386 5.046 4.660 -0.000 0.000 0.502 185 W C 1.466 177.882 176.519 -0.173 0.000 0.689 185 W CA 0.285 57.545 57.345 -0.142 0.000 2.088 185 W CB 0.007 29.104 29.460 -0.605 0.000 1.686 185 W HN 0.757 nan 8.180 nan 0.000 0.211 186 G N 0.859 109.750 108.800 0.151 0.000 2.136 186 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.242 186 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.242 186 G C 0.527 175.473 174.900 0.078 0.000 0.989 186 G CA 0.039 45.232 45.100 0.155 0.000 0.682 186 G HN 0.324 nan 8.290 nan 0.000 0.522 187 S N -0.756 114.975 115.700 0.051 0.000 2.645 187 S HA 0.563 5.033 4.470 -0.000 0.000 0.266 187 S C 0.762 175.265 174.600 -0.162 0.000 1.258 187 S CA 0.069 58.264 58.200 -0.008 0.000 0.990 187 S CB 1.020 64.223 63.200 0.006 0.000 0.967 187 S HN 0.475 nan 8.310 nan 0.000 0.556 188 N N 1.204 119.741 118.700 -0.272 0.000 2.646 188 N HA 0.178 4.918 4.740 -0.000 0.000 0.303 188 N C 1.010 176.211 175.510 -0.515 0.000 1.921 188 N CA -0.051 52.639 53.050 -0.601 0.000 0.872 188 N CB -0.021 38.136 38.487 -0.551 0.000 1.327 188 N HN 0.528 nan 8.380 nan 0.000 0.492 189 M N 0.106 119.409 119.600 -0.495 0.000 2.116 189 M HA -0.245 4.235 4.480 -0.000 0.000 0.255 189 M C 2.352 178.325 176.300 -0.545 0.000 1.075 189 M CA 2.051 57.142 55.300 -0.347 0.000 1.087 189 M CB -0.568 31.926 32.600 -0.178 0.000 1.340 189 M HN 0.424 nan 8.290 nan 0.000 0.402 190 A N -0.012 122.054 122.820 -1.256 0.000 2.009 190 A HA -0.233 4.087 4.320 -0.000 0.000 0.222 190 A C 1.923 179.259 177.584 -0.413 0.000 1.175 190 A CA 2.292 53.694 52.037 -1.060 0.000 0.651 190 A CB -0.599 17.786 19.000 -1.026 0.000 0.815 190 A HN 0.685 nan 8.150 nan 0.000 0.459 191 E N -2.421 117.559 120.200 -0.367 0.000 2.434 191 E HA 0.089 4.439 4.350 -0.000 0.000 0.207 191 E C 1.222 177.728 176.600 -0.157 0.000 0.929 191 E CA 0.225 56.496 56.400 -0.216 0.000 1.001 191 E CB 0.191 29.769 29.700 -0.203 0.000 1.016 191 E HN 0.534 nan 8.360 nan 0.000 0.502 192 M N -0.472 119.050 119.600 -0.131 0.000 2.421 192 M HA 0.184 4.664 4.480 -0.000 0.000 0.258 192 M C 0.125 176.342 176.300 -0.138 0.000 1.122 192 M CA 0.813 56.071 55.300 -0.069 0.000 1.078 192 M CB -0.327 32.300 32.600 0.045 0.000 1.380 192 M HN -0.026 nan 8.290 nan 0.000 0.499 193 H N -0.976 118.050 119.070 -0.074 0.000 2.712 193 H HA 0.291 4.847 4.556 -0.000 0.000 0.226 193 H C -2.015 173.277 175.328 -0.060 0.000 1.422 193 H CA -1.113 54.911 56.048 -0.040 0.000 1.270 193 H CB 0.354 30.111 29.762 -0.008 0.000 1.891 193 H HN -0.032 nan 8.280 nan 0.000 0.518 194 P HA -0.229 nan 4.420 nan 0.000 0.214 194 P C 1.445 178.742 177.300 -0.005 0.000 1.169 194 P CA 1.160 64.266 63.100 0.011 0.000 0.908 194 P CB 0.369 32.047 31.700 -0.036 0.000 0.791 195 I N -1.688 118.834 120.570 -0.078 0.000 2.567 195 I HA -0.156 4.014 4.170 -0.000 0.000 0.257 195 I C 2.228 178.187 176.117 -0.263 0.000 1.184 195 I CA 1.287 62.500 61.300 -0.144 0.000 1.451 195 I CB -1.468 36.446 38.000 -0.144 0.000 1.089 195 I HN 0.025 nan 8.210 nan 0.000 0.441 196 L N -1.176 119.878 121.223 -0.280 0.000 2.095 196 L HA -0.173 4.167 4.340 -0.000 0.000 0.204 196 L C 2.525 179.062 176.870 -0.554 0.000 1.080 196 L CA 1.117 55.589 54.840 -0.612 0.000 0.759 196 L CB -0.529 41.260 42.059 -0.449 0.000 0.914 196 L HN 0.436 nan 8.230 nan 0.000 0.439 197 W N 0.485 121.538 121.300 -0.412 0.000 2.374 197 W HA -0.240 4.420 4.660 -0.000 0.000 0.288 197 W C 2.614 178.927 176.519 -0.344 0.000 1.218 197 W CA 1.486 58.625 57.345 -0.344 0.000 1.245 197 W CB 0.149 29.477 29.460 -0.219 0.000 1.126 197 W HN 0.198 nan 8.180 nan 0.000 0.545 198 S N 0.633 116.194 115.700 -0.232 0.000 2.371 198 S HA -0.169 4.301 4.470 -0.000 0.000 0.224 198 S C 1.918 176.289 174.600 -0.381 0.000 1.029 198 S CA 1.103 59.133 58.200 -0.284 0.000 0.978 198 S CB -0.356 62.739 63.200 -0.175 0.000 0.833 198 S HN 0.291 nan 8.310 nan 0.000 0.466 199 R N -0.007 120.221 120.500 -0.454 0.000 2.092 199 R HA -0.025 4.315 4.340 -0.000 0.000 0.231 199 R C 2.301 178.325 176.300 -0.461 0.000 1.119 199 R CA 1.483 57.310 56.100 -0.455 0.000 0.970 199 R CB -0.382 29.545 30.300 -0.621 0.000 0.864 199 R HN 0.482 nan 8.270 nan 0.000 0.440 200 L N 0.053 120.869 121.223 -0.679 0.000 2.109 200 L HA -0.030 4.310 4.340 -0.000 0.000 0.207 200 L C 1.666 178.057 176.870 -0.799 0.000 1.086 200 L CA 1.984 56.348 54.840 -0.794 0.000 0.760 200 L CB -0.944 40.514 42.059 -1.001 0.000 0.910 200 L HN -0.032 nan 8.230 nan 0.000 0.437 201 T N -0.167 113.889 114.554 -0.830 0.000 2.821 201 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 201 T C 1.529 175.982 174.700 -0.411 0.000 1.046 201 T CA 1.500 63.185 62.100 -0.692 0.000 1.139 201 T CB -0.331 68.120 68.868 -0.696 0.000 0.871 201 T HN 0.489 nan 8.240 nan 0.000 0.454 202 D N 0.909 121.108 120.400 -0.336 0.000 2.144 202 D HA -0.112 4.527 4.640 -0.000 0.000 0.199 202 D C 2.291 178.481 176.300 -0.183 0.000 0.984 202 D CA 0.993 54.858 54.000 -0.224 0.000 0.834 202 D CB -0.096 40.597 40.800 -0.178 0.000 0.955 202 D HN 0.122 nan 8.370 nan 0.000 0.465 203 R N 0.497 120.910 120.500 -0.145 0.000 2.066 203 R HA -0.054 4.286 4.340 -0.000 0.000 0.232 203 R C 2.263 178.545 176.300 -0.029 0.000 1.131 203 R CA 1.879 57.981 56.100 0.003 0.000 0.955 203 R CB -0.657 29.745 30.300 0.170 0.000 0.851 203 R HN 0.059 nan 8.270 nan 0.000 0.432 204 R N 0.034 120.459 120.500 -0.126 0.000 2.070 204 R HA -0.032 4.308 4.340 -0.000 0.000 0.233 204 R C 1.851 178.070 176.300 -0.136 0.000 1.137 204 R CA 1.715 57.740 56.100 -0.125 0.000 0.945 204 R CB -0.939 29.224 30.300 -0.228 0.000 0.845 204 R HN 0.317 nan 8.270 nan 0.000 0.430 205 L N 0.401 121.518 121.223 -0.177 0.000 2.217 205 L HA 0.075 4.415 4.340 -0.000 0.000 0.211 205 L C 2.155 178.927 176.870 -0.164 0.000 1.107 205 L CA 1.616 56.364 54.840 -0.153 0.000 0.783 205 L CB -0.609 41.354 42.059 -0.160 0.000 0.919 205 L HN 0.185 nan 8.230 nan 0.000 0.442 206 S N -2.005 113.556 115.700 -0.232 0.000 2.446 206 S HA 0.044 4.514 4.470 -0.000 0.000 0.225 206 S C 0.270 174.557 174.600 -0.521 0.000 1.016 206 S CA 0.448 58.420 58.200 -0.379 0.000 0.943 206 S CB -0.136 62.773 63.200 -0.484 0.000 0.786 206 S HN 0.374 nan 8.310 nan 0.000 0.508 207 H N 1.159 120.188 119.070 -0.068 0.000 2.887 207 H HA 0.297 4.853 4.556 -0.000 0.000 0.300 207 H C -0.042 175.208 175.328 -0.129 0.000 1.038 207 H CA -0.588 55.418 56.048 -0.071 0.000 1.352 207 H CB 0.833 30.536 29.762 -0.098 0.000 1.473 207 H HN 0.141 nan 8.280 nan 0.000 0.503 208 E N 1.168 121.395 120.200 0.045 0.000 2.510 208 E HA -0.131 4.219 4.350 -0.000 0.000 0.202 208 E C 1.684 178.314 176.600 0.050 0.000 1.072 208 E CA 0.406 56.820 56.400 0.023 0.000 0.883 208 E CB 0.010 29.731 29.700 0.034 0.000 0.818 208 E HN 0.726 nan 8.360 nan 0.000 0.548 209 H N -0.876 118.250 119.070 0.092 0.000 2.535 209 H HA 0.090 4.646 4.556 -0.000 0.000 0.273 209 H C 0.576 175.955 175.328 0.084 0.000 0.983 209 H CA 0.080 56.173 56.048 0.075 0.000 1.238 209 H CB 0.065 29.862 29.762 0.058 0.000 1.412 209 H HN -0.181 nan 8.280 nan 0.000 0.562 210 V N 3.042 122.685 119.914 -0.452 0.000 2.715 210 V HA 0.126 4.245 4.120 -0.000 0.000 0.299 210 V C 0.471 176.567 176.094 0.003 0.000 1.054 210 V CA -0.126 62.025 62.300 -0.248 0.000 1.077 210 V CB 1.070 32.762 31.823 -0.218 0.000 0.972 210 V HN 0.372 nan 8.190 nan 0.000 0.484 211 R N 2.852 123.406 120.500 0.090 0.000 2.561 211 R HA 0.614 4.954 4.340 -0.000 0.000 0.297 211 R C -1.320 175.065 176.300 0.141 0.000 0.969 211 R CA -0.638 55.543 56.100 0.136 0.000 0.879 211 R CB 1.947 32.374 30.300 0.211 0.000 1.178 211 R HN 0.480 nan 8.270 nan 0.000 0.445 212 V N 1.743 121.728 119.914 0.119 0.000 2.483 212 V HA 0.738 4.858 4.120 -0.000 0.000 0.295 212 V C -0.118 176.058 176.094 0.137 0.000 1.035 212 V CA -0.816 61.554 62.300 0.116 0.000 0.896 212 V CB 1.755 33.601 31.823 0.037 0.000 0.986 212 V HN 0.860 nan 8.190 nan 0.000 0.447 213 A N 4.561 127.470 122.820 0.149 0.000 2.353 213 A HA 0.827 5.147 4.320 -0.000 0.000 0.299 213 A C -1.082 176.549 177.584 0.077 0.000 1.089 213 A CA -0.467 51.649 52.037 0.132 0.000 0.736 213 A CB 1.561 20.678 19.000 0.196 0.000 1.195 213 A HN 0.619 nan 8.150 nan 0.000 0.447 214 V N 3.428 123.380 119.914 0.063 0.000 2.495 214 V HA 0.534 4.654 4.120 -0.000 0.000 0.298 214 V C -0.613 175.475 176.094 -0.009 0.000 1.031 214 V CA -0.415 61.908 62.300 0.039 0.000 0.871 214 V CB 1.379 33.261 31.823 0.098 0.000 0.988 214 V HN 0.777 nan 8.190 nan 0.000 0.432 215 L N 3.557 124.757 121.223 -0.038 0.000 2.334 215 L HA 0.833 5.173 4.340 -0.000 0.000 0.276 215 L C 0.126 177.089 176.870 0.154 0.000 1.014 215 L CA 0.370 55.262 54.840 0.087 0.000 0.815 215 L CB 2.057 44.122 42.059 0.011 0.000 1.268 215 L HN 0.712 nan 8.230 nan 0.000 0.428 216 S N -0.752 114.943 115.700 -0.009 0.000 2.615 216 S HA 0.359 4.829 4.470 -0.000 0.000 0.269 216 S C 0.440 174.485 174.600 -0.926 0.000 1.161 216 S CA -0.403 57.522 58.200 -0.460 0.000 0.817 216 S CB 1.821 64.576 63.200 -0.742 0.000 1.131 216 S HN 0.655 nan 8.310 nan 0.000 0.467 217 T N 1.568 115.581 114.554 -0.902 0.000 2.942 217 T HA 0.242 4.592 4.350 -0.000 0.000 0.265 217 T C 0.006 174.497 174.700 -0.349 0.000 1.062 217 T CA 1.267 62.945 62.100 -0.705 0.000 1.139 217 T CB -0.306 68.335 68.868 -0.378 0.000 0.883 217 T HN 0.515 nan 8.240 nan 0.000 0.468 218 F N -0.915 118.798 119.950 -0.394 0.000 2.664 218 F HA 0.654 5.180 4.527 -0.000 0.000 0.317 218 F C -0.635 174.889 175.800 -0.461 0.000 1.108 218 F CA -1.474 56.333 58.000 -0.321 0.000 0.957 218 F CB 0.738 39.591 39.000 -0.245 0.000 1.365 218 F HN -0.488 nan 8.300 nan 0.000 0.475 219 T N 1.623 116.135 114.554 -0.070 0.000 2.749 219 T HA 0.462 4.812 4.350 -0.000 0.000 0.295 219 T C -0.691 173.977 174.700 -0.055 0.000 0.936 219 T CA -0.120 61.871 62.100 -0.181 0.000 1.060 219 T CB -0.148 68.691 68.868 -0.048 0.000 0.904 219 T HN 0.805 nan 8.240 nan 0.000 0.500 220 H N 0.947 119.965 119.070 -0.087 0.000 2.949 220 H HA 0.563 5.119 4.556 -0.000 0.000 0.310 220 H C 0.959 176.212 175.328 -0.125 0.000 1.405 220 H CA -1.720 54.271 56.048 -0.095 0.000 1.253 220 H CB 0.436 30.104 29.762 -0.157 0.000 1.932 220 H HN 0.278 nan 8.280 nan 0.000 0.602 221 R N -0.292 120.219 120.500 0.017 0.000 2.200 221 R HA -0.071 4.269 4.340 -0.000 0.000 0.234 221 R C 1.460 177.676 176.300 -0.139 0.000 1.127 221 R CA 1.674 57.731 56.100 -0.071 0.000 0.989 221 R CB -0.127 30.093 30.300 -0.133 0.000 0.869 221 R HN 0.532 nan 8.270 nan 0.000 0.459 222 S N -0.088 115.415 115.700 -0.327 0.000 2.377 222 S HA -0.080 4.390 4.470 -0.000 0.000 0.223 222 S C 1.554 176.169 174.600 0.025 0.000 1.030 222 S CA 1.178 59.095 58.200 -0.471 0.000 0.970 222 S CB 0.127 62.778 63.200 -0.916 0.000 0.830 222 S HN 0.436 nan 8.310 nan 0.000 0.473 223 S N 1.277 117.087 115.700 0.184 0.000 2.954 223 S HA 0.081 4.551 4.470 -0.000 0.000 0.234 223 S C 0.344 175.011 174.600 0.112 0.000 0.978 223 S CA 0.079 58.353 58.200 0.123 0.000 1.045 223 S CB -0.273 62.941 63.200 0.023 0.000 0.807 223 S HN 0.193 nan 8.310 nan 0.000 0.508 224 D N 0.569 121.054 120.400 0.141 0.000 2.360 224 D HA 0.169 4.809 4.640 -0.000 0.000 0.210 224 D C 1.006 177.386 176.300 0.134 0.000 1.047 224 D CA 0.157 54.226 54.000 0.116 0.000 0.854 224 D CB 0.497 41.358 40.800 0.102 0.000 0.936 224 D HN 0.488 nan 8.370 nan 0.000 0.514 225 L N 0.051 121.399 121.223 0.208 0.000 2.766 225 L HA 0.244 4.584 4.340 -0.000 0.000 0.242 225 L C -0.111 176.813 176.870 0.091 0.000 1.136 225 L CA 0.160 55.077 54.840 0.128 0.000 0.933 225 L CB 0.491 42.619 42.059 0.114 0.000 1.241 225 L HN -0.315 nan 8.230 nan 0.000 0.522 226 S N 0.035 115.809 115.700 0.124 0.000 2.565 226 S HA 0.181 4.651 4.470 -0.000 0.000 0.274 226 S C 0.363 175.006 174.600 0.072 0.000 1.309 226 S CA -0.506 57.755 58.200 0.102 0.000 1.043 226 S CB 0.962 64.227 63.200 0.108 0.000 0.939 226 S HN 0.244 nan 8.310 nan 0.000 0.504 227 D N 1.223 121.669 120.400 0.076 0.000 2.355 227 D HA 0.040 4.680 4.640 -0.000 0.000 0.206 227 D C -0.084 176.262 176.300 0.076 0.000 1.010 227 D CA 0.854 54.896 54.000 0.071 0.000 0.875 227 D CB 0.352 41.200 40.800 0.080 0.000 0.966 227 D HN 0.430 nan 8.370 nan 0.000 0.512 228 T N 3.437 118.043 114.554 0.086 0.000 3.241 228 T HA 0.237 4.587 4.350 -0.000 0.000 0.387 228 T C -2.676 172.062 174.700 0.064 0.000 1.451 228 T CA -1.163 60.985 62.100 0.079 0.000 1.363 228 T CB 2.284 71.212 68.868 0.100 0.000 1.074 228 T HN -0.041 nan 8.240 nan 0.000 0.598 229 P HA 0.468 nan 4.420 nan 0.000 0.286 229 P C -0.733 176.587 177.300 0.032 0.000 1.321 229 P CA -0.392 62.731 63.100 0.037 0.000 0.790 229 P CB 0.686 32.406 31.700 0.033 0.000 0.897 230 I N 5.051 125.641 120.570 0.033 0.000 2.406 230 I HA 0.396 4.566 4.170 -0.000 0.000 0.290 230 I C 0.377 176.539 176.117 0.075 0.000 0.999 230 I CA -0.825 60.515 61.300 0.066 0.000 1.124 230 I CB 1.910 39.959 38.000 0.082 0.000 1.289 230 I HN 0.156 nan 8.210 nan 0.000 0.441 231 I N 7.353 127.954 120.570 0.053 0.000 2.390 231 I HA 0.303 4.473 4.170 -0.000 0.000 0.283 231 I C -0.274 175.860 176.117 0.029 0.000 1.016 231 I CA -0.502 60.770 61.300 -0.048 0.000 1.151 231 I CB 0.518 38.465 38.000 -0.089 0.000 1.293 231 I HN 0.416 nan 8.210 nan 0.000 0.458 232 F N 4.355 124.292 119.950 -0.022 0.000 2.452 232 F HA 0.707 5.234 4.527 -0.000 0.000 0.353 232 F C 0.321 176.115 175.800 -0.010 0.000 1.089 232 F CA -1.306 56.698 58.000 0.006 0.000 1.080 232 F CB 0.401 39.426 39.000 0.041 0.000 1.399 232 F HN 0.173 nan 8.300 nan 0.000 0.492 233 R N 0.780 121.426 120.500 0.244 0.000 2.357 233 R HA 0.384 4.724 4.340 -0.000 0.000 0.296 233 R C -2.654 173.671 176.300 0.041 0.000 1.052 233 R CA -1.840 54.307 56.100 0.079 0.000 0.988 233 R CB 0.631 31.034 30.300 0.171 0.000 1.025 233 R HN 0.344 nan 8.270 nan 0.000 0.469 234 P HA -0.048 nan 4.420 nan 0.000 0.256 234 P C 0.170 177.385 177.300 -0.141 0.000 1.173 234 P CA 1.453 64.238 63.100 -0.526 0.000 0.768 234 P CB 0.600 31.334 31.700 -1.610 0.000 0.758 235 G N 2.947 111.805 108.800 0.097 0.000 2.253 235 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.251 235 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.251 235 G C 1.014 176.217 174.900 0.505 0.000 0.998 235 G CA 0.533 45.773 45.100 0.234 0.000 0.621 235 G HN 0.588 nan 8.290 nan 0.000 0.524 236 T N 0.175 114.982 114.554 0.421 0.000 3.160 236 T HA 0.176 4.526 4.350 -0.000 0.000 0.257 236 T C 1.790 176.575 174.700 0.142 0.000 1.147 236 T CA 1.410 63.669 62.100 0.265 0.000 1.064 236 T CB -0.243 68.719 68.868 0.157 0.000 0.949 236 T HN 0.520 nan 8.240 nan 0.000 0.526 237 D N 1.869 122.354 120.400 0.141 0.000 2.218 237 D HA -0.165 4.475 4.640 -0.000 0.000 0.204 237 D C 2.073 178.388 176.300 0.025 0.000 0.976 237 D CA 0.791 54.743 54.000 -0.081 0.000 0.853 237 D CB -0.455 40.394 40.800 0.082 0.000 0.939 237 D HN 0.386 nan 8.370 nan 0.000 0.481 238 R N 0.547 121.113 120.500 0.109 0.000 2.094 238 R HA -0.073 4.266 4.340 -0.000 0.000 0.239 238 R C 2.529 178.760 176.300 -0.115 0.000 1.137 238 R CA 1.887 57.997 56.100 0.017 0.000 0.943 238 R CB -0.507 29.953 30.300 0.266 0.000 0.850 238 R HN 0.303 nan 8.270 nan 0.000 0.433 239 A N 1.237 123.999 122.820 -0.096 0.000 1.858 239 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 239 A C 2.176 179.675 177.584 -0.142 0.000 1.190 239 A CA 1.462 53.327 52.037 -0.287 0.000 0.617 239 A CB -0.637 18.237 19.000 -0.209 0.000 0.827 239 A HN 0.229 nan 8.150 nan 0.000 0.443 240 I N -0.493 120.069 120.570 -0.014 0.000 2.194 240 I HA -0.308 3.862 4.170 -0.000 0.000 0.246 240 I C 2.438 178.635 176.117 0.133 0.000 1.093 240 I CA 1.399 62.779 61.300 0.132 0.000 1.355 240 I CB -0.632 37.473 38.000 0.174 0.000 1.046 240 I HN 0.282 nan 8.210 nan 0.000 0.413 241 L N 0.635 121.845 121.223 -0.021 0.000 2.042 241 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 241 L C 2.185 178.952 176.870 -0.171 0.000 1.076 241 L CA 1.971 56.697 54.840 -0.190 0.000 0.749 241 L CB -0.727 41.076 42.059 -0.426 0.000 0.893 241 L HN 0.315 nan 8.230 nan 0.000 0.432 242 N N -1.609 116.967 118.700 -0.207 0.000 2.106 242 N HA -0.253 4.487 4.740 -0.000 0.000 0.188 242 N C 1.820 177.346 175.510 0.026 0.000 1.029 242 N CA 1.097 54.041 53.050 -0.177 0.000 0.848 242 N CB -0.243 37.945 38.487 -0.499 0.000 1.007 242 N HN 0.252 nan 8.380 nan 0.000 0.423 243 Y N 2.106 122.408 120.300 0.003 0.000 2.069 243 Y HA -0.240 4.310 4.550 -0.000 0.000 0.278 243 Y C 1.798 177.794 175.900 0.159 0.000 1.175 243 Y CA 1.448 59.623 58.100 0.125 0.000 1.134 243 Y CB -0.660 37.861 38.460 0.101 0.000 0.965 243 Y HN 0.053 nan 8.280 nan 0.000 0.498 244 I N 0.523 120.879 120.570 -0.357 0.000 2.264 244 I HA -0.337 3.833 4.170 -0.000 0.000 0.248 244 I C 2.733 178.713 176.117 -0.228 0.000 1.111 244 I CA 1.218 62.249 61.300 -0.449 0.000 1.382 244 I CB -0.871 36.969 38.000 -0.267 0.000 1.060 244 I HN 0.383 nan 8.210 nan 0.000 0.418 245 A N 0.454 123.210 122.820 -0.107 0.000 1.858 245 A HA -0.316 4.004 4.320 -0.000 0.000 0.216 245 A C 2.231 179.849 177.584 0.057 0.000 1.190 245 A CA 2.230 54.277 52.037 0.016 0.000 0.617 245 A CB -1.072 17.979 19.000 0.085 0.000 0.827 245 A HN 0.535 nan 8.150 nan 0.000 0.443 246 H N -1.225 117.830 119.070 -0.026 0.000 2.319 246 H HA -0.263 4.293 4.556 -0.000 0.000 0.297 246 H C 1.941 177.275 175.328 0.010 0.000 1.097 246 H CA 2.518 58.575 56.048 0.015 0.000 1.285 246 H CB -0.500 29.316 29.762 0.090 0.000 1.368 246 H HN 0.739 nan 8.280 nan 0.000 0.495 247 H N -0.715 118.221 119.070 -0.223 0.000 2.387 247 H HA -0.057 4.499 4.556 -0.000 0.000 0.299 247 H C 2.240 177.452 175.328 -0.192 0.000 1.090 247 H CA 1.791 57.681 56.048 -0.263 0.000 1.332 247 H CB -0.140 29.353 29.762 -0.450 0.000 1.386 247 H HN 0.423 nan 8.280 nan 0.000 0.516 248 I N 0.091 120.656 120.570 -0.009 0.000 2.179 248 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 248 I C 1.909 178.010 176.117 -0.027 0.000 1.088 248 I CA 0.768 62.070 61.300 0.003 0.000 1.357 248 I CB -0.134 37.874 38.000 0.014 0.000 1.051 248 I HN 0.357 nan 8.210 nan 0.000 0.409 249 I N 0.261 120.819 120.570 -0.020 0.000 2.142 249 I HA -0.242 3.928 4.170 -0.000 0.000 0.240 249 I C 2.656 178.711 176.117 -0.104 0.000 1.078 249 I CA 1.541 62.850 61.300 0.016 0.000 1.343 249 I CB -1.164 36.883 38.000 0.078 0.000 1.046 249 I HN 0.190 nan 8.210 nan 0.000 0.405 250 S N 0.752 116.280 115.700 -0.287 0.000 2.383 250 S HA -0.145 4.325 4.470 -0.000 0.000 0.229 250 S C 1.719 176.187 174.600 -0.220 0.000 1.030 250 S CA 1.881 59.895 58.200 -0.312 0.000 1.002 250 S CB -0.481 62.424 63.200 -0.492 0.000 0.829 250 S HN 0.546 nan 8.310 nan 0.000 0.467 251 T N 0.529 114.930 114.554 -0.254 0.000 3.169 251 T HA 0.375 4.725 4.350 -0.000 0.000 0.250 251 T C 1.215 175.860 174.700 -0.091 0.000 1.111 251 T CA 0.424 62.409 62.100 -0.191 0.000 1.010 251 T CB -0.155 68.559 68.868 -0.256 0.000 0.984 251 T HN 0.546 nan 8.240 nan 0.000 0.537 252 G N 2.614 111.377 108.800 -0.062 0.000 2.338 252 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.296 252 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.296 252 G C 0.335 175.240 174.900 0.009 0.000 1.040 252 G CA -0.253 44.843 45.100 -0.006 0.000 1.004 252 G HN 0.544 nan 8.290 nan 0.000 0.509 253 R N -0.660 119.846 120.500 0.009 0.000 2.748 253 R HA 0.329 4.669 4.340 -0.000 0.000 0.395 253 R C 0.606 176.925 176.300 0.031 0.000 1.128 253 R CA -0.410 55.700 56.100 0.017 0.000 1.042 253 R CB 0.915 31.218 30.300 0.005 0.000 1.392 253 R HN 0.280 nan 8.270 nan 0.000 0.582 254 V N 0.987 120.933 119.914 0.054 0.000 2.834 254 V HA 0.071 4.191 4.120 -0.000 0.000 0.301 254 V C 0.734 176.861 176.094 0.056 0.000 1.066 254 V CA -0.663 61.671 62.300 0.057 0.000 1.052 254 V CB 1.438 33.306 31.823 0.076 0.000 1.021 254 V HN 0.332 nan 8.190 nan 0.000 0.480 255 N N 2.557 121.295 118.700 0.064 0.000 2.767 255 N HA 0.189 4.929 4.740 -0.000 0.000 0.238 255 N C 1.118 176.711 175.510 0.138 0.000 1.083 255 N CA -0.199 52.909 53.050 0.096 0.000 0.964 255 N CB 0.437 38.977 38.487 0.088 0.000 1.252 255 N HN 0.543 nan 8.380 nan 0.000 0.512 256 R N 1.163 121.721 120.500 0.096 0.000 2.097 256 R HA -0.138 4.202 4.340 -0.000 0.000 0.236 256 R C 0.997 177.351 176.300 0.090 0.000 1.135 256 R CA 1.492 57.639 56.100 0.079 0.000 0.934 256 R CB 0.011 30.356 30.300 0.074 0.000 0.846 256 R HN 0.478 nan 8.270 nan 0.000 0.431 257 D N -0.265 120.196 120.400 0.101 0.000 2.203 257 D HA -0.207 4.433 4.640 -0.000 0.000 0.199 257 D C 1.562 177.932 176.300 0.116 0.000 0.997 257 D CA 1.209 55.261 54.000 0.088 0.000 0.863 257 D CB -0.111 40.748 40.800 0.098 0.000 0.928 257 D HN 0.138 nan 8.370 nan 0.000 0.458 258 F N 0.716 120.712 119.950 0.078 0.000 2.147 258 F HA -0.112 4.415 4.527 -0.000 0.000 0.291 258 F C 2.276 178.146 175.800 0.117 0.000 1.093 258 F CA 0.675 58.786 58.000 0.186 0.000 1.263 258 F CB -0.229 38.883 39.000 0.186 0.000 1.036 258 F HN -0.257 nan 8.300 nan 0.000 0.481 259 V N 0.549 120.605 119.914 0.236 0.000 2.343 259 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 259 V C 2.002 178.072 176.094 -0.039 0.000 1.051 259 V CA 2.228 64.567 62.300 0.065 0.000 1.036 259 V CB -0.660 31.165 31.823 0.004 0.000 0.654 259 V HN 0.310 nan 8.190 nan 0.000 0.451 260 D N -0.465 119.916 120.400 -0.033 0.000 2.117 260 D HA -0.140 4.500 4.640 -0.000 0.000 0.198 260 D C 2.366 178.586 176.300 -0.134 0.000 0.982 260 D CA 1.235 55.207 54.000 -0.046 0.000 0.828 260 D CB -0.189 40.598 40.800 -0.022 0.000 0.967 260 D HN 0.287 nan 8.370 nan 0.000 0.464 261 R N -0.453 119.892 120.500 -0.258 0.000 2.127 261 R HA -0.018 4.322 4.340 -0.000 0.000 0.217 261 R C 0.836 176.719 176.300 -0.695 0.000 1.074 261 R CA 0.750 56.555 56.100 -0.492 0.000 0.991 261 R CB 0.271 30.185 30.300 -0.644 0.000 0.895 261 R HN 0.286 nan 8.270 nan 0.000 0.450 262 H N -1.479 117.388 119.070 -0.337 0.000 2.662 262 H HA 0.283 4.839 4.556 -0.000 0.000 0.268 262 H C -0.401 174.789 175.328 -0.231 0.000 1.152 262 H CA -0.020 55.816 56.048 -0.354 0.000 1.072 262 H CB 1.260 30.581 29.762 -0.734 0.000 1.660 262 H HN -0.049 nan 8.280 nan 0.000 0.584 263 T N 1.004 115.472 114.554 -0.144 0.000 2.906 263 T HA 0.377 4.727 4.350 -0.000 0.000 0.295 263 T C -0.151 174.434 174.700 -0.193 0.000 1.061 263 T CA -0.726 61.244 62.100 -0.217 0.000 1.000 263 T CB 2.476 71.160 68.868 -0.307 0.000 1.103 263 T HN 0.145 nan 8.240 nan 0.000 0.486 264 N N 0.055 118.570 118.700 -0.308 0.000 2.509 264 N HA 0.721 5.461 4.740 -0.000 0.000 0.280 264 N C -1.480 173.818 175.510 -0.354 0.000 1.306 264 N CA -0.551 52.412 53.050 -0.146 0.000 0.782 264 N CB 1.453 39.873 38.487 -0.111 0.000 1.493 264 N HN 0.364 nan 8.380 nan 0.000 0.498 265 F N 0.219 120.081 119.950 -0.147 0.000 2.661 265 F HA 0.892 5.419 4.527 -0.000 0.000 0.347 265 F C 0.293 176.012 175.800 -0.135 0.000 1.086 265 F CA -0.561 57.331 58.000 -0.179 0.000 1.016 265 F CB 1.406 40.329 39.000 -0.128 0.000 1.368 265 F HN 0.537 nan 8.300 nan 0.000 0.505 266 A N 0.337 123.202 122.820 0.075 0.000 2.522 266 A HA 0.720 5.040 4.320 -0.000 0.000 0.291 266 A C -2.364 175.210 177.584 -0.017 0.000 1.039 266 A CA -0.710 51.323 52.037 -0.007 0.000 0.643 266 A CB 1.024 19.966 19.000 -0.096 0.000 1.310 266 A HN 0.635 nan 8.150 nan 0.000 0.436 267 L N 0.806 121.998 121.223 -0.052 0.000 2.386 267 L HA 0.689 5.029 4.340 -0.000 0.000 0.271 267 L C 0.688 177.468 176.870 -0.150 0.000 0.993 267 L CA -0.810 53.981 54.840 -0.083 0.000 0.819 267 L CB 2.216 44.249 42.059 -0.043 0.000 1.294 267 L HN 1.029 nan 8.230 nan 0.000 0.414 268 G N 1.156 109.802 108.800 -0.257 0.000 2.425 268 G HA2 0.561 4.521 3.960 -0.000 0.000 0.302 268 G HA3 0.561 4.521 3.960 -0.000 0.000 0.302 268 G C -0.156 174.654 174.900 -0.150 0.000 1.159 268 G CA -0.408 44.535 45.100 -0.262 0.000 0.865 268 G HN 0.744 nan 8.290 nan 0.000 0.515 269 A N 0.897 123.711 122.820 -0.009 0.000 2.524 269 A HA 0.417 4.737 4.320 -0.000 0.000 0.250 269 A C 1.599 179.270 177.584 0.144 0.000 1.078 269 A CA 0.691 52.762 52.037 0.056 0.000 0.761 269 A CB 0.109 19.158 19.000 0.082 0.000 1.012 269 A HN 1.191 nan 8.150 nan 0.000 0.500 270 T N -1.050 113.563 114.554 0.099 0.000 3.031 270 T HA 0.019 4.369 4.350 -0.000 0.000 0.254 270 T C 0.740 175.552 174.700 0.186 0.000 1.060 270 T CA 1.192 63.393 62.100 0.168 0.000 1.135 270 T CB -0.115 68.792 68.868 0.064 0.000 0.896 270 T HN 0.542 nan 8.240 nan 0.000 0.472 271 D N 0.674 121.133 120.400 0.097 0.000 2.706 271 D HA 0.313 4.953 4.640 -0.000 0.000 0.236 271 D C 0.120 176.416 176.300 -0.008 0.000 1.231 271 D CA -0.670 53.359 54.000 0.050 0.000 0.828 271 D CB -1.029 39.797 40.800 0.044 0.000 1.015 271 D HN 0.446 nan 8.370 nan 0.000 0.484 272 I N 0.152 120.713 120.570 -0.015 0.000 3.141 272 I HA 0.085 4.255 4.170 -0.000 0.000 0.295 272 I C 1.170 177.126 176.117 -0.270 0.000 1.252 272 I CA 0.741 61.972 61.300 -0.115 0.000 1.406 272 I CB 0.660 38.575 38.000 -0.141 0.000 1.333 272 I HN 0.246 nan 8.210 nan 0.000 0.594 273 G N 4.285 112.931 108.800 -0.257 0.000 3.003 273 G HA2 0.394 4.354 3.960 -0.000 0.000 0.293 273 G HA3 0.394 4.354 3.960 -0.000 0.000 0.293 273 G C -0.925 173.846 174.900 -0.214 0.000 1.553 273 G CA -0.486 44.443 45.100 -0.285 0.000 1.078 273 G HN 0.591 nan 8.290 nan 0.000 0.550 274 Y N 0.340 120.580 120.300 -0.100 0.000 3.082 274 Y HA -0.244 4.306 4.550 -0.000 0.000 0.226 274 Y C 1.900 177.734 175.900 -0.110 0.000 1.014 274 Y CA 0.626 58.657 58.100 -0.116 0.000 0.735 274 Y CB -0.979 37.411 38.460 -0.117 0.000 1.049 274 Y HN 0.791 nan 8.280 nan 0.000 0.397 275 G N 2.397 111.182 108.800 -0.025 0.000 2.082 275 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.269 275 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.269 275 G C 0.362 175.267 174.900 0.009 0.000 0.578 275 G CA 0.318 45.411 45.100 -0.012 0.000 1.011 275 G HN 0.606 nan 8.290 nan 0.000 0.395 276 L N -0.278 120.948 121.223 0.006 0.000 2.664 276 L HA 0.614 4.954 4.340 -0.000 0.000 0.253 276 L C 1.262 178.159 176.870 0.044 0.000 1.293 276 L CA -1.329 53.501 54.840 -0.017 0.000 1.280 276 L CB 0.714 42.689 42.059 -0.140 0.000 1.993 276 L HN 0.129 nan 8.230 nan 0.000 0.577 277 R N 1.052 121.588 120.500 0.060 0.000 2.410 277 R HA 0.290 4.630 4.340 -0.000 0.000 0.288 277 R C -2.373 173.986 176.300 0.098 0.000 1.051 277 R CA -1.626 54.524 56.100 0.082 0.000 1.021 277 R CB 0.772 31.123 30.300 0.086 0.000 1.032 277 R HN 0.250 nan 8.270 nan 0.000 0.481 278 P HA 0.055 nan 4.420 nan 0.000 0.271 278 P C -0.612 176.732 177.300 0.074 0.000 1.220 278 P CA 0.313 63.457 63.100 0.075 0.000 0.768 278 P CB 1.181 32.915 31.700 0.057 0.000 0.848 279 E N -1.255 118.992 120.200 0.079 0.000 3.376 279 E HA -0.113 4.237 4.350 -0.000 0.000 0.142 279 E C 0.395 177.030 176.600 0.060 0.000 0.601 279 E CA -0.024 56.410 56.400 0.056 0.000 2.970 279 E CB -1.292 28.439 29.700 0.052 0.000 1.416 279 E HN 0.623 nan 8.360 nan 0.000 0.768 280 H N 2.877 121.960 119.070 0.023 0.000 2.848 280 H HA 0.093 4.649 4.556 -0.000 0.000 0.341 280 H C 1.032 176.374 175.328 0.024 0.000 1.060 280 H CA 1.175 57.234 56.048 0.019 0.000 1.444 280 H CB 0.922 30.697 29.762 0.021 0.000 1.446 280 H HN 0.269 nan 8.280 nan 0.000 0.583 281 Q N 3.976 123.691 119.800 -0.143 0.000 2.014 281 Q HA -0.200 4.140 4.340 -0.000 0.000 0.207 281 Q C 2.479 178.566 176.000 0.144 0.000 0.993 281 Q CA 1.731 57.531 55.803 -0.004 0.000 0.850 281 Q CB -0.028 28.657 28.738 -0.088 0.000 0.916 281 Q HN 0.718 nan 8.270 nan 0.000 0.417 282 L N 0.765 122.165 121.223 0.296 0.000 2.211 282 L HA -0.286 4.054 4.340 -0.000 0.000 0.216 282 L C 2.557 179.564 176.870 0.229 0.000 1.092 282 L CA 1.324 56.326 54.840 0.269 0.000 0.767 282 L CB -0.485 41.741 42.059 0.277 0.000 0.894 282 L HN 0.323 nan 8.230 nan 0.000 0.437 283 Q N -0.591 119.328 119.800 0.199 0.000 2.123 283 Q HA -0.044 4.296 4.340 -0.000 0.000 0.196 283 Q C 2.427 178.482 176.000 0.091 0.000 0.958 283 Q CA 0.896 56.775 55.803 0.127 0.000 0.841 283 Q CB 0.017 28.823 28.738 0.115 0.000 0.915 283 Q HN 0.547 nan 8.270 nan 0.000 0.455 284 L N 0.512 121.788 121.223 0.087 0.000 1.989 284 L HA -0.170 4.169 4.340 -0.000 0.000 0.211 284 L C 2.550 179.455 176.870 0.058 0.000 1.071 284 L CA 1.293 56.169 54.840 0.060 0.000 0.749 284 L CB -0.816 41.271 42.059 0.046 0.000 0.890 284 L HN 0.145 nan 8.230 nan 0.000 0.431 285 A N 0.292 123.153 122.820 0.069 0.000 2.019 285 A HA -0.036 4.284 4.320 -0.000 0.000 0.219 285 A C 1.916 179.540 177.584 0.067 0.000 1.164 285 A CA 1.164 53.241 52.037 0.067 0.000 0.644 285 A CB -0.659 18.389 19.000 0.079 0.000 0.805 285 A HN 0.376 nan 8.150 nan 0.000 0.449 286 A N 0.786 123.649 122.820 0.072 0.000 3.004 286 A HA 0.253 4.573 4.320 -0.000 0.000 0.254 286 A C 0.287 177.891 177.584 0.034 0.000 1.857 286 A CA -0.207 51.859 52.037 0.049 0.000 1.460 286 A CB -1.109 17.912 19.000 0.036 0.000 0.963 286 A HN 0.498 nan 8.150 nan 0.000 0.624 287 K N 0.370 120.792 120.400 0.037 0.000 2.405 287 K HA 0.215 4.535 4.320 -0.000 0.000 0.273 287 K C 1.156 177.773 176.600 0.028 0.000 1.116 287 K CA 0.989 57.295 56.287 0.031 0.000 1.155 287 K CB -0.109 32.409 32.500 0.031 0.000 0.858 287 K HN 0.929 nan 8.250 nan 0.000 0.477 288 G N 1.657 110.472 108.800 0.025 0.000 2.168 288 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.197 288 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.197 288 G C 0.751 175.663 174.900 0.019 0.000 0.997 288 G CA -0.062 45.053 45.100 0.025 0.000 0.658 288 G HN 0.651 nan 8.290 nan 0.000 0.513 289 A N 0.136 122.964 122.820 0.014 0.000 2.119 289 A HA 0.611 4.931 4.320 -0.000 0.000 0.216 289 A C 2.587 180.179 177.584 0.015 0.000 1.152 289 A CA 1.892 53.930 52.037 0.003 0.000 0.708 289 A CB -0.409 18.594 19.000 0.005 0.000 0.805 289 A HN 1.678 nan 8.150 nan 0.000 0.460 290 A N -0.545 122.289 122.820 0.023 0.000 2.015 290 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 290 A C 1.810 179.411 177.584 0.027 0.000 1.163 290 A CA 1.718 53.772 52.037 0.027 0.000 0.646 290 A CB -0.195 18.821 19.000 0.028 0.000 0.806 290 A HN 0.491 nan 8.150 nan 0.000 0.448 291 D N -1.279 119.136 120.400 0.025 0.000 2.685 291 D HA 0.402 5.042 4.640 -0.000 0.000 0.257 291 D C 0.547 176.864 176.300 0.028 0.000 1.472 291 D CA 1.399 55.416 54.000 0.027 0.000 1.125 291 D CB 0.146 40.963 40.800 0.027 0.000 0.969 291 D HN 0.853 nan 8.370 nan 0.000 0.281 292 A N -1.200 121.642 122.820 0.037 0.000 2.109 292 A HA 0.296 4.616 4.320 -0.000 0.000 0.556 292 A C 0.920 178.539 177.584 0.058 0.000 0.434 292 A CA 1.440 53.506 52.037 0.050 0.000 0.334 292 A CB -1.800 17.204 19.000 0.008 0.000 3.228 292 A HN 1.372 nan 8.150 nan 0.000 0.445 293 G N -0.162 108.696 108.800 0.096 0.000 2.134 293 G HA2 0.357 4.317 3.960 -0.000 0.000 0.209 293 G HA3 0.357 4.317 3.960 -0.000 0.000 0.209 293 G C 0.839 175.764 174.900 0.042 0.000 0.993 293 G CA 0.976 46.125 45.100 0.082 0.000 0.669 293 G HN 2.730 nan 8.290 nan 0.000 0.519 294 A N 0.167 123.009 122.820 0.036 0.000 2.401 294 A HA 0.782 5.102 4.320 -0.000 0.000 0.259 294 A C 1.286 178.861 177.584 -0.014 0.000 1.103 294 A CA 0.480 52.524 52.037 0.013 0.000 0.789 294 A CB 0.333 19.342 19.000 0.015 0.000 1.035 294 A HN 0.236 nan 8.150 nan 0.000 0.491 295 M N 1.159 120.745 119.600 -0.024 0.000 2.508 295 M HA 0.127 4.606 4.480 -0.000 0.000 0.238 295 M C 0.999 177.272 176.300 -0.045 0.000 1.210 295 M CA 2.119 57.388 55.300 -0.052 0.000 1.231 295 M CB -1.688 30.881 32.600 -0.051 0.000 1.201 295 M HN 1.367 nan 8.290 nan 0.000 0.491 296 T N 0.138 114.676 114.554 -0.027 0.000 1.309 296 T HA -0.060 4.290 4.350 -0.000 0.000 0.685 296 T C -2.720 171.971 174.700 -0.015 0.000 0.967 296 T CA -0.573 61.517 62.100 -0.018 0.000 3.630 296 T CB -1.831 67.028 68.868 -0.015 0.000 2.070 296 T HN 0.057 nan 8.240 nan 0.000 0.393 297 P HA 0.393 nan 4.420 nan 0.000 0.272 297 P C 0.868 178.183 177.300 0.024 0.000 1.243 297 P CA 0.180 63.286 63.100 0.010 0.000 0.803 297 P CB 0.494 32.200 31.700 0.011 0.000 0.974 298 T N -2.692 111.893 114.554 0.053 0.000 2.630 298 T HA 0.349 4.699 4.350 -0.000 0.000 0.225 298 T C -1.289 173.429 174.700 0.030 0.000 0.897 298 T CA -0.400 61.727 62.100 0.045 0.000 1.316 298 T CB 0.304 69.210 68.868 0.064 0.000 1.743 298 T HN 0.352 nan 8.240 nan 0.000 0.436 299 D N -0.704 119.688 120.400 -0.013 0.000 2.753 299 D HA 0.371 5.011 4.640 -0.000 0.000 0.224 299 D C -0.177 175.946 176.300 -0.295 0.000 1.213 299 D CA -0.561 53.380 54.000 -0.098 0.000 0.833 299 D CB 2.373 43.127 40.800 -0.076 0.000 1.607 299 D HN 0.293 nan 8.370 nan 0.000 0.463 300 F N 3.003 122.547 119.950 -0.676 0.000 2.161 300 F HA -0.143 4.384 4.527 -0.000 0.000 0.300 300 F C 1.802 177.343 175.800 -0.432 0.000 1.089 300 F CA 1.681 59.046 58.000 -1.059 0.000 1.282 300 F CB -0.072 38.537 39.000 -0.652 0.000 1.010 300 F HN 0.362 nan 8.300 nan 0.000 0.485 301 E N -0.118 119.864 120.200 -0.363 0.000 2.077 301 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 301 E C 2.162 178.650 176.600 -0.188 0.000 0.989 301 E CA 1.873 58.047 56.400 -0.376 0.000 0.800 301 E CB -1.235 28.304 29.700 -0.268 0.000 0.746 301 E HN 0.398 nan 8.360 nan 0.000 0.452 302 T N 1.544 116.038 114.554 -0.100 0.000 2.777 302 T HA -0.102 4.247 4.350 -0.000 0.000 0.266 302 T C 1.584 176.299 174.700 0.025 0.000 1.040 302 T CA 1.034 63.112 62.100 -0.037 0.000 1.141 302 T CB -0.464 68.396 68.868 -0.014 0.000 0.868 302 T HN 0.140 nan 8.240 nan 0.000 0.444 303 F N 2.775 122.696 119.950 -0.047 0.000 2.026 303 F HA -0.087 4.440 4.527 -0.000 0.000 0.296 303 F C 2.568 178.411 175.800 0.073 0.000 1.133 303 F CA 1.307 59.343 58.000 0.061 0.000 1.188 303 F CB -1.030 38.095 39.000 0.208 0.000 0.968 303 F HN 0.153 nan 8.300 nan 0.000 0.476 304 A N 0.586 123.463 122.820 0.095 0.000 1.940 304 A HA -0.273 4.046 4.320 -0.000 0.000 0.221 304 A C 2.378 179.902 177.584 -0.101 0.000 1.190 304 A CA 2.661 54.686 52.037 -0.020 0.000 0.647 304 A CB -1.795 17.188 19.000 -0.029 0.000 0.821 304 A HN 0.684 nan 8.150 nan 0.000 0.457 305 A N -1.196 121.563 122.820 -0.102 0.000 2.014 305 A HA 0.118 4.438 4.320 -0.000 0.000 0.218 305 A C 2.075 179.594 177.584 -0.107 0.000 1.163 305 A CA 1.574 53.558 52.037 -0.089 0.000 0.652 305 A CB -0.433 18.515 19.000 -0.086 0.000 0.808 305 A HN 0.805 nan 8.150 nan 0.000 0.449 306 L N -0.018 121.120 121.223 -0.141 0.000 2.072 306 L HA -0.023 4.317 4.340 -0.000 0.000 0.205 306 L C 2.092 178.888 176.870 -0.124 0.000 1.079 306 L CA 1.914 56.673 54.840 -0.135 0.000 0.752 306 L CB -0.539 41.442 42.059 -0.129 0.000 0.906 306 L HN 0.114 nan 8.230 nan 0.000 0.436 307 V N -0.446 119.343 119.914 -0.208 0.000 3.141 307 V HA -0.127 3.993 4.120 -0.000 0.000 0.265 307 V C 2.407 178.515 176.094 0.024 0.000 1.126 307 V CA 1.343 63.600 62.300 -0.073 0.000 1.141 307 V CB -1.069 30.578 31.823 -0.292 0.000 0.743 307 V HN 0.495 nan 8.190 nan 0.000 0.492 308 S N 0.183 115.860 115.700 -0.039 0.000 2.402 308 S HA -0.224 4.246 4.470 -0.000 0.000 0.229 308 S C 1.934 176.340 174.600 -0.323 0.000 1.021 308 S CA 1.410 59.528 58.200 -0.137 0.000 0.974 308 S CB -0.231 62.952 63.200 -0.028 0.000 0.800 308 S HN 0.778 nan 8.310 nan 0.000 0.484 309 E N 0.628 120.641 120.200 -0.311 0.000 2.160 309 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 309 E C -0.380 175.913 176.600 -0.513 0.000 0.991 309 E CA 0.825 56.962 56.400 -0.437 0.000 0.810 309 E CB -0.063 29.291 29.700 -0.578 0.000 0.742 309 E HN 0.601 nan 8.360 nan 0.000 0.466 310 Y N 1.840 122.046 120.300 -0.157 0.000 2.636 310 Y HA 0.150 4.700 4.550 -0.000 0.000 0.334 310 Y C 0.045 175.857 175.900 -0.148 0.000 1.286 310 Y CA -0.308 57.731 58.100 -0.102 0.000 1.688 310 Y CB -0.166 38.283 38.460 -0.019 0.000 1.662 310 Y HN -0.159 nan 8.280 nan 0.000 0.465 311 T N 1.453 115.937 114.554 -0.116 0.000 2.860 311 T HA -0.005 4.345 4.350 -0.000 0.000 0.299 311 T C 1.417 176.078 174.700 -0.066 0.000 1.045 311 T CA -0.704 61.330 62.100 -0.111 0.000 1.071 311 T CB 1.078 69.886 68.868 -0.100 0.000 0.985 311 T HN 0.552 nan 8.240 nan 0.000 0.537 312 L N 1.113 122.272 121.223 -0.106 0.000 2.042 312 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 312 L C 2.177 178.866 176.870 -0.303 0.000 1.076 312 L CA 1.929 56.421 54.840 -0.580 0.000 0.749 312 L CB -0.891 40.953 42.059 -0.358 0.000 0.893 312 L HN 0.614 nan 8.230 nan 0.000 0.432 313 E N -0.217 119.900 120.200 -0.138 0.000 2.153 313 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 313 E C 2.189 178.742 176.600 -0.078 0.000 0.988 313 E CA 1.437 57.785 56.400 -0.087 0.000 0.811 313 E CB -0.180 29.491 29.700 -0.048 0.000 0.746 313 E HN 0.566 nan 8.360 nan 0.000 0.466 314 K N -0.137 120.217 120.400 -0.077 0.000 2.067 314 K HA 0.075 4.395 4.320 -0.000 0.000 0.203 314 K C 2.055 178.640 176.600 -0.026 0.000 1.048 314 K CA 0.865 57.124 56.287 -0.046 0.000 0.954 314 K CB -0.083 32.388 32.500 -0.049 0.000 0.737 314 K HN 0.106 nan 8.250 nan 0.000 0.444 315 A N 1.435 124.236 122.820 -0.032 0.000 1.873 315 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 315 A C 2.382 179.934 177.584 -0.053 0.000 1.193 315 A CA 2.206 54.232 52.037 -0.018 0.000 0.629 315 A CB -1.171 17.806 19.000 -0.039 0.000 0.826 315 A HN 0.482 nan 8.150 nan 0.000 0.447 316 A N 0.126 122.884 122.820 -0.103 0.000 1.892 316 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 316 A C 1.983 179.554 177.584 -0.021 0.000 1.188 316 A CA 2.453 54.453 52.037 -0.062 0.000 0.631 316 A CB -0.687 18.265 19.000 -0.081 0.000 0.822 316 A HN 0.758 nan 8.150 nan 0.000 0.447 317 E N 0.555 120.740 120.200 -0.025 0.000 2.085 317 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 317 E C 1.667 178.269 176.600 0.004 0.000 0.994 317 E CA 1.995 58.391 56.400 -0.006 0.000 0.801 317 E CB -0.528 29.166 29.700 -0.010 0.000 0.743 317 E HN 0.678 nan 8.360 nan 0.000 0.453 318 I N 0.682 121.242 120.570 -0.017 0.000 2.286 318 I HA -0.177 3.993 4.170 -0.000 0.000 0.245 318 I C 2.316 178.436 176.117 0.004 0.000 1.104 318 I CA 1.109 62.384 61.300 -0.042 0.000 1.397 318 I CB -0.473 37.427 38.000 -0.166 0.000 1.072 318 I HN 0.122 nan 8.210 nan 0.000 0.417 319 S N 0.845 116.561 115.700 0.027 0.000 2.325 319 S HA 0.159 4.629 4.470 -0.000 0.000 0.214 319 S C 1.773 176.444 174.600 0.119 0.000 1.031 319 S CA 0.813 59.077 58.200 0.106 0.000 0.972 319 S CB -0.464 62.808 63.200 0.121 0.000 0.908 319 S HN 0.613 nan 8.310 nan 0.000 0.453 320 G N 0.694 109.543 108.800 0.083 0.000 2.164 320 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.154 320 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.154 320 G C -0.061 174.880 174.900 0.070 0.000 1.014 320 G CA -0.281 44.864 45.100 0.075 0.000 0.683 320 G HN 1.006 nan 8.290 nan 0.000 0.500 321 V N -1.249 118.707 119.914 0.070 0.000 2.481 321 V HA 0.723 4.843 4.120 -0.000 0.000 0.286 321 V C 0.456 176.569 176.094 0.032 0.000 1.042 321 V CA -1.583 60.755 62.300 0.063 0.000 0.928 321 V CB 1.762 33.634 31.823 0.082 0.000 0.986 321 V HN 0.197 nan 8.190 nan 0.000 0.462 322 E N 5.807 126.026 120.200 0.031 0.000 2.415 322 E HA 0.091 4.441 4.350 -0.000 0.000 0.263 322 E C -1.399 175.204 176.600 0.006 0.000 0.995 322 E CA -1.320 55.090 56.400 0.018 0.000 0.915 322 E CB 1.179 30.893 29.700 0.024 0.000 0.951 322 E HN 0.578 nan 8.360 nan 0.000 0.449 323 P HA -0.266 nan 4.420 nan 0.000 0.217 323 P C 1.066 178.362 177.300 -0.007 0.000 1.151 323 P CA 1.662 64.736 63.100 -0.045 0.000 0.849 323 P CB 0.186 31.853 31.700 -0.053 0.000 0.787 324 A N -0.592 122.238 122.820 0.015 0.000 1.986 324 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 324 A C 2.212 179.821 177.584 0.041 0.000 1.171 324 A CA 1.592 53.649 52.037 0.033 0.000 0.640 324 A CB -1.373 17.646 19.000 0.032 0.000 0.811 324 A HN 0.110 nan 8.150 nan 0.000 0.451 325 L N -1.307 119.940 121.223 0.040 0.000 2.072 325 L HA -0.023 4.317 4.340 -0.000 0.000 0.205 325 L C 2.219 179.129 176.870 0.067 0.000 1.079 325 L CA 1.167 56.037 54.840 0.050 0.000 0.752 325 L CB -0.958 41.131 42.059 0.050 0.000 0.906 325 L HN 0.250 nan 8.230 nan 0.000 0.436 326 L N -0.646 120.622 121.223 0.074 0.000 2.191 326 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 326 L C 2.477 179.488 176.870 0.236 0.000 1.103 326 L CA 1.388 56.325 54.840 0.162 0.000 0.769 326 L CB -0.845 41.252 42.059 0.064 0.000 0.908 326 L HN 0.344 nan 8.230 nan 0.000 0.438 327 E N -0.618 119.659 120.200 0.129 0.000 2.152 327 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 327 E C 1.978 178.574 176.600 -0.006 0.000 0.983 327 E CA 0.675 57.125 56.400 0.083 0.000 0.818 327 E CB 0.176 29.934 29.700 0.096 0.000 0.758 327 E HN 0.589 nan 8.360 nan 0.000 0.467 328 E N 0.470 120.685 120.200 0.025 0.000 2.072 328 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 328 E C 2.116 178.700 176.600 -0.027 0.000 0.985 328 E CA 0.396 56.801 56.400 0.008 0.000 0.801 328 E CB 0.035 29.760 29.700 0.041 0.000 0.750 328 E HN 0.046 nan 8.360 nan 0.000 0.452 329 L N 1.111 122.342 121.223 0.013 0.000 1.932 329 L HA -0.199 4.141 4.340 -0.000 0.000 0.217 329 L C 2.323 179.141 176.870 -0.086 0.000 1.077 329 L CA 2.211 57.064 54.840 0.022 0.000 0.765 329 L CB -0.990 41.135 42.059 0.110 0.000 0.888 329 L HN 0.083 nan 8.230 nan 0.000 0.433 330 A N -0.795 121.960 122.820 -0.109 0.000 1.916 330 A HA -0.383 3.937 4.320 -0.000 0.000 0.224 330 A C 2.170 179.554 177.584 -0.333 0.000 1.366 330 A CA 2.514 54.342 52.037 -0.348 0.000 0.692 330 A CB -1.090 17.416 19.000 -0.823 0.000 0.841 330 A HN 0.642 nan 8.150 nan 0.000 0.480 331 E N -0.960 119.051 120.200 -0.315 0.000 2.085 331 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 331 E C 2.034 178.473 176.600 -0.269 0.000 0.994 331 E CA 1.158 57.449 56.400 -0.182 0.000 0.801 331 E CB -0.433 29.213 29.700 -0.089 0.000 0.743 331 E HN 0.481 nan 8.360 nan 0.000 0.453 332 L N -0.054 120.893 121.223 -0.460 0.000 1.989 332 L HA -0.186 4.154 4.340 -0.000 0.000 0.211 332 L C 2.251 178.402 176.870 -1.199 0.000 1.071 332 L CA 1.585 55.876 54.840 -0.914 0.000 0.749 332 L CB -1.316 39.862 42.059 -1.468 0.000 0.890 332 L HN 0.225 nan 8.230 nan 0.000 0.431 333 Y N -1.163 118.367 120.300 -1.283 0.000 2.651 333 Y HA -0.204 4.346 4.550 -0.000 0.000 0.293 333 Y C 2.029 177.666 175.900 -0.438 0.000 1.151 333 Y CA 0.671 58.217 58.100 -0.924 0.000 1.362 333 Y CB -0.060 38.055 38.460 -0.575 0.000 0.973 333 Y HN 0.247 nan 8.280 nan 0.000 0.561 334 A N -1.046 121.652 122.820 -0.204 0.000 2.009 334 A HA 0.036 4.356 4.320 -0.000 0.000 0.197 334 A C 0.341 177.893 177.584 -0.053 0.000 1.471 334 A CA -0.058 51.933 52.037 -0.076 0.000 0.973 334 A CB -0.141 18.858 19.000 -0.001 0.000 1.020 334 A HN 0.311 nan 8.150 nan 0.000 0.476 335 D N 2.421 122.781 120.400 -0.067 0.000 2.426 335 D HA 0.016 4.656 4.640 -0.000 0.000 0.261 335 D C -2.122 174.168 176.300 -0.016 0.000 1.245 335 D CA -0.787 53.198 54.000 -0.026 0.000 0.917 335 D CB 0.530 41.321 40.800 -0.016 0.000 1.123 335 D HN 0.224 nan 8.370 nan 0.000 0.508 336 P HA -0.041 nan 4.420 nan 0.000 0.301 336 P C -0.250 177.053 177.300 0.005 0.000 1.560 336 P CA 0.390 63.490 63.100 -0.000 0.000 0.784 336 P CB 0.281 31.983 31.700 0.002 0.000 1.715 337 D N -1.333 119.073 120.400 0.010 0.000 2.267 337 D HA 0.081 4.721 4.640 -0.000 0.000 0.297 337 D C 0.669 176.991 176.300 0.036 0.000 1.087 337 D CA -0.114 53.892 54.000 0.010 0.000 0.864 337 D CB 0.175 40.972 40.800 -0.005 0.000 1.557 337 D HN -0.012 nan 8.370 nan 0.000 0.523 338 R N 1.644 122.185 120.500 0.067 0.000 2.421 338 R HA 0.120 4.460 4.340 -0.000 0.000 0.305 338 R C -0.278 176.139 176.300 0.194 0.000 1.039 338 R CA 0.310 56.507 56.100 0.162 0.000 1.003 338 R CB 0.265 30.687 30.300 0.204 0.000 0.959 338 R HN -0.183 nan 8.270 nan 0.000 0.427 339 K N 4.737 125.224 120.400 0.145 0.000 2.292 339 K HA 0.014 4.334 4.320 -0.000 0.000 0.290 339 K C -0.416 176.263 176.600 0.131 0.000 1.083 339 K CA -0.137 56.210 56.287 0.101 0.000 0.918 339 K CB 0.699 33.197 32.500 -0.003 0.000 1.089 339 K HN 0.475 nan 8.250 nan 0.000 0.473 340 W N 4.376 125.629 121.300 -0.078 0.000 2.161 340 W HA 0.176 4.836 4.660 -0.000 0.000 0.344 340 W C 0.019 176.549 176.519 0.017 0.000 1.262 340 W CA -0.405 56.867 57.345 -0.122 0.000 1.270 340 W CB 1.267 30.581 29.460 -0.242 0.000 1.126 340 W HN 0.272 nan 8.180 nan 0.000 0.598 341 M N 4.430 123.691 119.600 -0.565 0.000 2.060 341 M HA 0.112 4.592 4.480 -0.000 0.000 0.231 341 M C -1.236 175.011 176.300 -0.089 0.000 0.936 341 M CA -0.032 55.117 55.300 -0.250 0.000 0.981 341 M CB 0.744 33.020 32.600 -0.540 0.000 2.216 341 M HN 0.142 nan 8.290 nan 0.000 0.399 342 S N 4.343 120.237 115.700 0.322 0.000 2.523 342 S HA 0.732 5.202 4.470 -0.000 0.000 0.275 342 S C -0.335 174.626 174.600 0.603 0.000 1.281 342 S CA -0.516 58.060 58.200 0.627 0.000 1.050 342 S CB 1.189 65.041 63.200 1.088 0.000 0.937 342 S HN 0.644 nan 8.310 nan 0.000 0.492 343 L N 2.867 124.452 121.223 0.602 0.000 2.381 343 L HA 0.804 5.144 4.340 -0.000 0.000 0.268 343 L C -1.003 176.181 176.870 0.523 0.000 0.997 343 L CA -0.517 54.568 54.840 0.408 0.000 0.818 343 L CB 1.556 43.787 42.059 0.286 0.000 1.310 343 L HN 0.947 nan 8.230 nan 0.000 0.416 344 W N 1.377 122.738 121.300 0.102 0.000 3.372 344 W HA 0.819 5.479 4.660 -0.000 0.000 0.315 344 W C -1.070 175.462 176.519 0.021 0.000 1.223 344 W CA -0.495 56.835 57.345 -0.026 0.000 1.202 344 W CB 0.874 30.200 29.460 -0.223 0.000 1.367 344 W HN 0.378 nan 8.180 nan 0.000 0.531 345 T N 1.477 116.140 114.554 0.182 0.000 2.412 345 T HA 0.163 4.513 4.350 -0.000 0.000 0.202 345 T C 1.344 176.210 174.700 0.277 0.000 0.848 345 T CA -0.576 61.623 62.100 0.164 0.000 1.196 345 T CB 0.035 68.983 68.868 0.133 0.000 2.323 345 T HN 0.484 nan 8.240 nan 0.000 0.482 346 M N 1.567 121.318 119.600 0.251 0.000 2.530 346 M HA 0.035 4.515 4.480 -0.000 0.000 0.261 346 M C 2.331 178.820 176.300 0.315 0.000 1.067 346 M CA 0.985 56.455 55.300 0.282 0.000 1.071 346 M CB -1.968 30.779 32.600 0.244 0.000 1.405 346 M HN 0.761 nan 8.290 nan 0.000 0.478 347 G N -0.024 108.949 108.800 0.289 0.000 2.476 347 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 347 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 347 G C 1.309 176.530 174.900 0.535 0.000 1.164 347 G CA 0.563 45.857 45.100 0.323 0.000 0.768 347 G HN 0.303 nan 8.290 nan 0.000 0.560 348 F N 1.270 121.433 119.950 0.356 0.000 2.219 348 F HA 0.127 4.654 4.527 -0.000 0.000 0.294 348 F C 2.467 178.413 175.800 0.243 0.000 1.086 348 F CA 0.547 58.702 58.000 0.258 0.000 1.330 348 F CB -0.867 38.182 39.000 0.083 0.000 1.047 348 F HN 0.080 nan 8.300 nan 0.000 0.495 349 N N 0.230 119.223 118.700 0.489 0.000 2.142 349 N HA -0.140 4.600 4.740 -0.000 0.000 0.186 349 N C 0.710 176.401 175.510 0.301 0.000 1.023 349 N CA 0.908 54.169 53.050 0.352 0.000 0.852 349 N CB -0.444 38.249 38.487 0.343 0.000 0.998 349 N HN 0.332 nan 8.380 nan 0.000 0.424 350 Q N 0.369 120.362 119.800 0.321 0.000 2.894 350 Q HA 0.093 4.433 4.340 -0.000 0.000 0.358 350 Q C -0.700 175.439 176.000 0.231 0.000 1.155 350 Q CA -0.010 55.953 55.803 0.268 0.000 0.960 350 Q CB 0.009 28.950 28.738 0.339 0.000 1.428 350 Q HN 0.314 nan 8.270 nan 0.000 0.437 351 H N 0.636 119.777 119.070 0.118 0.000 2.547 351 H HA 0.107 4.663 4.556 -0.000 0.000 0.342 351 H C 0.930 176.249 175.328 -0.015 0.000 1.048 351 H CA -0.708 55.388 56.048 0.080 0.000 1.204 351 H CB 1.762 31.591 29.762 0.111 0.000 1.493 351 H HN 0.171 nan 8.280 nan 0.000 0.511 352 V N 3.073 123.112 119.914 0.209 0.000 3.140 352 V HA -0.012 4.108 4.120 -0.000 0.000 0.269 352 V C 0.958 176.967 176.094 -0.140 0.000 1.149 352 V CA 1.264 63.597 62.300 0.054 0.000 1.162 352 V CB -0.455 31.454 31.823 0.142 0.000 0.756 352 V HN 0.460 nan 8.190 nan 0.000 0.523 353 R N 0.240 120.693 120.500 -0.078 0.000 2.698 353 R HA 0.374 4.714 4.340 -0.000 0.000 0.422 353 R C 1.551 177.551 176.300 -0.499 0.000 1.073 353 R CA 0.484 56.257 56.100 -0.545 0.000 1.054 353 R CB 0.508 30.455 30.300 -0.588 0.000 1.373 353 R HN 0.476 nan 8.270 nan 0.000 0.593 354 G N 0.234 108.885 108.800 -0.247 0.000 2.433 354 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 354 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 354 G C 1.305 176.097 174.900 -0.180 0.000 1.186 354 G CA 0.710 45.712 45.100 -0.163 0.000 0.779 354 G HN 0.149 nan 8.290 nan 0.000 0.543 355 V N -0.228 119.631 119.914 -0.091 0.000 2.324 355 V HA -0.204 3.916 4.120 -0.000 0.000 0.250 355 V C 2.591 178.783 176.094 0.163 0.000 1.060 355 V CA 1.837 64.149 62.300 0.020 0.000 1.042 355 V CB -0.582 31.305 31.823 0.107 0.000 0.650 355 V HN 0.516 nan 8.190 nan 0.000 0.450 356 W N 0.121 121.338 121.300 -0.137 0.000 2.355 356 W HA -0.078 4.582 4.660 -0.000 0.000 0.309 356 W C 2.730 179.030 176.519 -0.367 0.000 1.206 356 W CA 1.216 58.466 57.345 -0.159 0.000 1.284 356 W CB -1.553 27.777 29.460 -0.217 0.000 1.145 356 W HN 0.268 nan 8.180 nan 0.000 0.502 357 A N 0.585 123.173 122.820 -0.385 0.000 1.865 357 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 357 A C 2.067 178.990 177.584 -1.102 0.000 1.191 357 A CA 2.047 53.490 52.037 -0.989 0.000 0.623 357 A CB -1.209 16.922 19.000 -1.448 0.000 0.826 357 A HN 0.375 nan 8.150 nan 0.000 0.444 358 N N -1.208 117.007 118.700 -0.808 0.000 2.036 358 N HA -0.223 4.517 4.740 -0.000 0.000 0.195 358 N C 1.738 176.885 175.510 -0.607 0.000 1.037 358 N CA 1.752 54.343 53.050 -0.764 0.000 0.855 358 N CB -0.495 37.798 38.487 -0.324 0.000 1.033 358 N HN 0.590 nan 8.380 nan 0.000 0.423 359 H N 1.135 120.056 119.070 -0.249 0.000 2.289 359 H HA -0.098 4.458 4.556 -0.000 0.000 0.296 359 H C 2.331 177.516 175.328 -0.238 0.000 1.091 359 H CA 1.391 57.368 56.048 -0.119 0.000 1.274 359 H CB -0.334 29.355 29.762 -0.123 0.000 1.364 359 H HN 0.305 nan 8.280 nan 0.000 0.490 360 M N 0.232 119.689 119.600 -0.238 0.000 2.144 360 M HA -0.161 4.319 4.480 -0.000 0.000 0.260 360 M C 2.539 178.581 176.300 -0.429 0.000 1.067 360 M CA 1.433 56.542 55.300 -0.318 0.000 1.095 360 M CB -0.381 31.973 32.600 -0.409 0.000 1.365 360 M HN 0.057 nan 8.290 nan 0.000 0.406 361 V N -1.364 118.140 119.914 -0.683 0.000 2.307 361 V HA -0.263 3.857 4.120 -0.000 0.000 0.245 361 V C 1.990 177.930 176.094 -0.256 0.000 1.045 361 V CA 1.758 63.664 62.300 -0.657 0.000 1.024 361 V CB -1.568 29.614 31.823 -1.068 0.000 0.651 361 V HN 0.357 nan 8.190 nan 0.000 0.449 362 Y N 1.438 121.646 120.300 -0.154 0.000 2.207 362 Y HA -0.211 4.339 4.550 -0.000 0.000 0.287 362 Y C 2.796 178.705 175.900 0.016 0.000 1.156 362 Y CA 1.582 59.703 58.100 0.036 0.000 1.182 362 Y CB -0.585 37.871 38.460 -0.007 0.000 0.979 362 Y HN 0.283 nan 8.280 nan 0.000 0.521 363 N N 0.561 119.285 118.700 0.039 0.000 2.037 363 N HA -0.211 4.529 4.740 -0.000 0.000 0.196 363 N C 1.811 177.310 175.510 -0.018 0.000 1.034 363 N CA 1.649 54.671 53.050 -0.047 0.000 0.861 363 N CB -0.878 37.583 38.487 -0.044 0.000 1.039 363 N HN 0.330 nan 8.380 nan 0.000 0.427 364 L N 0.094 121.271 121.223 -0.077 0.000 2.043 364 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 364 L C 2.273 179.090 176.870 -0.087 0.000 1.075 364 L CA 1.310 56.048 54.840 -0.171 0.000 0.752 364 L CB -0.644 41.112 42.059 -0.505 0.000 0.891 364 L HN 0.381 nan 8.230 nan 0.000 0.432 365 H N -0.108 119.024 119.070 0.102 0.000 2.333 365 H HA -0.037 4.519 4.556 -0.000 0.000 0.302 365 H C 2.468 177.842 175.328 0.078 0.000 1.075 365 H CA 1.328 57.481 56.048 0.175 0.000 1.348 365 H CB 0.029 29.970 29.762 0.298 0.000 1.393 365 H HN 0.294 nan 8.280 nan 0.000 0.509 366 L N 0.241 121.589 121.223 0.209 0.000 2.012 366 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 366 L C 2.493 179.437 176.870 0.124 0.000 1.073 366 L CA 0.616 55.575 54.840 0.199 0.000 0.748 366 L CB -0.420 41.673 42.059 0.056 0.000 0.891 366 L HN 0.142 nan 8.230 nan 0.000 0.431 367 L N -0.177 121.062 121.223 0.027 0.000 2.127 367 L HA -0.194 4.146 4.340 -0.000 0.000 0.211 367 L C 2.628 179.510 176.870 0.020 0.000 1.089 367 L CA 2.394 57.247 54.840 0.021 0.000 0.757 367 L CB -1.261 40.817 42.059 0.032 0.000 0.899 367 L HN 0.498 nan 8.230 nan 0.000 0.434 368 T N -5.193 109.343 114.554 -0.029 0.000 3.044 368 T HA 0.348 4.698 4.350 -0.000 0.000 0.250 368 T C 1.408 175.997 174.700 -0.184 0.000 1.081 368 T CA 0.384 62.447 62.100 -0.061 0.000 1.040 368 T CB 0.221 69.061 68.868 -0.046 0.000 0.962 368 T HN 0.370 nan 8.240 nan 0.000 0.506 369 G N 2.040 110.574 108.800 -0.443 0.000 2.147 369 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.244 369 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.244 369 G C -0.051 174.514 174.900 -0.558 0.000 1.005 369 G CA -0.035 44.390 45.100 -1.126 0.000 0.713 369 G HN 0.591 nan 8.290 nan 0.000 0.515 370 K N 0.094 120.381 120.400 -0.188 0.000 2.229 370 K HA 0.654 4.974 4.320 -0.000 0.000 0.247 370 K C -0.121 176.639 176.600 0.267 0.000 1.117 370 K CA -0.178 56.152 56.287 0.072 0.000 1.036 370 K CB 0.713 33.316 32.500 0.172 0.000 1.654 370 K HN 0.499 nan 8.250 nan 0.000 0.405 371 I N -1.158 119.498 120.570 0.143 0.000 2.882 371 I HA 0.011 4.181 4.170 -0.000 0.000 0.298 371 I C -0.712 175.534 176.117 0.215 0.000 1.462 371 I CA -0.199 61.255 61.300 0.257 0.000 1.000 371 I CB 2.171 40.423 38.000 0.420 0.000 1.340 371 I HN 0.408 nan 8.210 nan 0.000 0.462 372 S N 2.665 118.507 115.700 0.237 0.000 3.581 372 S HA -0.180 4.290 4.470 -0.000 0.000 0.354 372 S C -0.400 174.189 174.600 -0.018 0.000 1.059 372 S CA 1.242 59.562 58.200 0.200 0.000 1.060 372 S CB -1.307 62.045 63.200 0.255 0.000 0.908 372 S HN 0.695 nan 8.310 nan 0.000 0.475 373 E N 0.417 120.497 120.200 -0.200 0.000 2.367 373 E HA 0.367 4.717 4.350 -0.000 0.000 0.273 373 E C -2.849 173.249 176.600 -0.836 0.000 0.903 373 E CA -2.635 53.445 56.400 -0.535 0.000 0.764 373 E CB 1.797 31.359 29.700 -0.230 0.000 1.252 373 E HN -0.038 nan 8.360 nan 0.000 0.446 374 P HA -0.008 nan 4.420 nan 0.000 0.267 374 P C 0.614 177.766 177.300 -0.247 0.000 1.209 374 P CA 0.947 63.576 63.100 -0.786 0.000 0.763 374 P CB 0.632 31.806 31.700 -0.876 0.000 0.816 375 G N 3.883 112.649 108.800 -0.058 0.000 2.336 375 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.233 375 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.233 375 G C 0.227 175.086 174.900 -0.068 0.000 1.053 375 G CA -0.268 44.783 45.100 -0.082 0.000 0.625 375 G HN 0.574 nan 8.290 nan 0.000 0.511 376 N N 1.079 119.765 118.700 -0.023 0.000 2.527 376 N HA 0.550 5.290 4.740 -0.000 0.000 0.236 376 N C -0.496 175.100 175.510 0.143 0.000 0.999 376 N CA 0.594 53.695 53.050 0.085 0.000 0.935 376 N CB 1.234 39.770 38.487 0.082 0.000 1.132 376 N HN 0.664 nan 8.380 nan 0.000 0.511 377 S N 2.347 118.150 115.700 0.171 0.000 2.548 377 S HA 0.419 4.889 4.470 -0.000 0.000 0.278 377 S C -3.265 171.346 174.600 0.017 0.000 1.150 377 S CA -1.221 57.053 58.200 0.124 0.000 0.907 377 S CB 2.248 65.547 63.200 0.167 0.000 1.108 377 S HN 0.143 nan 8.310 nan 0.000 0.459 378 P HA 0.334 nan 4.420 nan 0.000 0.273 378 P C -1.263 176.141 177.300 0.174 0.000 1.531 378 P CA -0.192 62.937 63.100 0.047 0.000 1.027 378 P CB -0.306 31.368 31.700 -0.043 0.000 1.387 379 F N 2.796 122.678 119.950 -0.114 0.000 2.411 379 F HA 0.292 4.819 4.527 -0.000 0.000 0.355 379 F C 0.832 176.107 175.800 -0.875 0.000 1.117 379 F CA -0.153 57.652 58.000 -0.326 0.000 1.139 379 F CB 1.118 39.987 39.000 -0.219 0.000 1.120 379 F HN 0.109 nan 8.300 nan 0.000 0.493 380 S N 7.186 122.058 115.700 -1.380 0.000 2.439 380 S HA 0.471 4.941 4.470 -0.000 0.000 0.282 380 S C -0.433 173.691 174.600 -0.794 0.000 1.170 380 S CA -0.748 56.584 58.200 -1.446 0.000 1.054 380 S CB -0.065 62.635 63.200 -0.835 0.000 0.956 380 S HN 0.613 nan 8.310 nan 0.000 0.490 381 L N 4.917 125.861 121.223 -0.465 0.000 2.331 381 L HA 0.331 4.671 4.340 -0.000 0.000 0.278 381 L C 0.712 177.586 176.870 0.007 0.000 1.106 381 L CA -0.325 54.454 54.840 -0.102 0.000 0.824 381 L CB 1.112 43.002 42.059 -0.281 0.000 1.142 381 L HN 0.561 nan 8.230 nan 0.000 0.443 382 T N 1.959 116.630 114.554 0.195 0.000 2.867 382 T HA 0.291 4.641 4.350 -0.000 0.000 0.282 382 T C 0.980 175.909 174.700 0.380 0.000 1.000 382 T CA -0.085 62.163 62.100 0.247 0.000 1.042 382 T CB 1.852 70.852 68.868 0.219 0.000 0.973 382 T HN 0.811 nan 8.240 nan 0.000 0.465 383 G N 1.674 110.666 108.800 0.321 0.000 2.547 383 G HA2 -0.018 3.941 3.960 -0.000 0.000 0.214 383 G HA3 -0.018 3.941 3.960 -0.000 0.000 0.214 383 G C 0.509 175.617 174.900 0.346 0.000 1.254 383 G CA 0.406 45.698 45.100 0.320 0.000 0.817 383 G HN 0.645 nan 8.290 nan 0.000 0.551 384 Q N 0.719 120.725 119.800 0.343 0.000 2.535 384 Q HA 0.137 4.477 4.340 -0.000 0.000 0.228 384 Q C -1.254 174.859 176.000 0.187 0.000 1.062 384 Q CA -1.171 54.864 55.803 0.387 0.000 0.967 384 Q CB 0.918 29.839 28.738 0.306 0.000 1.273 384 Q HN 0.143 nan 8.270 nan 0.000 0.554 385 P HA -0.159 nan 4.420 nan 0.000 0.217 385 P C 0.124 177.273 177.300 -0.253 0.000 1.150 385 P CA 1.791 64.732 63.100 -0.266 0.000 0.832 385 P CB 0.108 31.347 31.700 -0.768 0.000 0.787 386 F N -1.755 118.034 119.950 -0.268 0.000 2.677 386 F HA 0.756 5.283 4.527 -0.000 0.000 0.388 386 F C 1.676 177.526 175.800 0.082 0.000 1.400 386 F CA -0.211 57.770 58.000 -0.033 0.000 1.162 386 F CB -0.408 38.638 39.000 0.076 0.000 1.135 386 F HN 0.068 nan 8.300 nan 0.000 0.516 387 A N -1.099 121.791 122.820 0.117 0.000 2.014 387 A HA 0.013 4.333 4.320 -0.000 0.000 0.218 387 A C 2.152 179.867 177.584 0.218 0.000 1.163 387 A CA 2.000 54.140 52.037 0.171 0.000 0.652 387 A CB -1.079 18.042 19.000 0.203 0.000 0.808 387 A HN 0.686 nan 8.150 nan 0.000 0.449 388 C N -1.576 117.844 119.300 0.199 0.000 2.739 388 C HA 0.208 4.668 4.460 -0.000 0.000 0.285 388 C C 3.064 178.189 174.990 0.225 0.000 1.301 388 C CA 0.484 59.635 59.018 0.221 0.000 1.700 388 C CB -1.397 26.464 27.740 0.201 0.000 2.147 388 C HN 0.624 nan 8.230 nan 0.000 0.510 389 G N 0.114 109.038 108.800 0.205 0.000 2.503 389 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.221 389 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.221 389 G C 1.482 176.451 174.900 0.116 0.000 1.131 389 G CA 2.220 47.432 45.100 0.186 0.000 0.756 389 G HN 0.569 nan 8.290 nan 0.000 0.572 390 T N 0.212 114.839 114.554 0.121 0.000 3.571 390 T HA 0.445 4.795 4.350 -0.000 0.000 0.217 390 T C 2.713 177.488 174.700 0.125 0.000 0.925 390 T CA 0.890 63.035 62.100 0.075 0.000 1.376 390 T CB -0.752 68.195 68.868 0.131 0.000 1.375 390 T HN 0.292 nan 8.240 nan 0.000 0.404 391 A N 2.224 125.141 122.820 0.163 0.000 1.882 391 A HA -0.308 4.012 4.320 -0.000 0.000 0.220 391 A C 2.280 180.141 177.584 0.462 0.000 1.253 391 A CA 2.544 54.681 52.037 0.166 0.000 0.664 391 A CB -0.825 18.202 19.000 0.045 0.000 0.838 391 A HN 0.474 nan 8.150 nan 0.000 0.460 392 R N -0.939 119.849 120.500 0.480 0.000 2.064 392 R HA -0.074 4.266 4.340 -0.000 0.000 0.228 392 R C 2.374 178.796 176.300 0.204 0.000 1.144 392 R CA 1.606 57.934 56.100 0.380 0.000 0.932 392 R CB -0.482 29.980 30.300 0.270 0.000 0.833 392 R HN 0.726 nan 8.270 nan 0.000 0.429 393 E N 0.207 120.509 120.200 0.170 0.000 2.058 393 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 393 E C 1.932 178.586 176.600 0.089 0.000 0.997 393 E CA 1.499 57.954 56.400 0.090 0.000 0.801 393 E CB -0.040 29.724 29.700 0.108 0.000 0.746 393 E HN 0.078 nan 8.360 nan 0.000 0.450 394 V N 0.031 119.984 119.914 0.065 0.000 2.970 394 V HA -0.019 4.101 4.120 -0.000 0.000 0.260 394 V C 1.054 177.181 176.094 0.055 0.000 1.100 394 V CA 0.927 63.229 62.300 0.003 0.000 1.122 394 V CB -0.668 31.006 31.823 -0.248 0.000 0.721 394 V HN 0.530 nan 8.190 nan 0.000 0.483 395 G N 0.941 109.809 108.800 0.114 0.000 2.531 395 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.283 395 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.283 395 G C 0.158 175.166 174.900 0.181 0.000 1.068 395 G CA 0.292 45.482 45.100 0.150 0.000 1.273 395 G HN 0.364 nan 8.290 nan 0.000 0.532 396 T N 1.223 115.933 114.554 0.260 0.000 3.258 396 T HA 0.485 4.835 4.350 -0.000 0.000 0.259 396 T C -0.036 174.644 174.700 -0.034 0.000 0.963 396 T CA 0.033 62.192 62.100 0.099 0.000 0.919 396 T CB -0.186 68.731 68.868 0.081 0.000 1.110 396 T HN 0.384 nan 8.240 nan 0.000 0.550 397 F N 0.135 120.110 119.950 0.042 0.000 2.538 397 F HA 0.619 5.146 4.527 -0.000 0.000 0.325 397 F C 1.406 177.250 175.800 0.073 0.000 1.066 397 F CA -1.631 56.423 58.000 0.090 0.000 0.946 397 F CB 0.863 39.929 39.000 0.110 0.000 1.199 397 F HN 0.094 nan 8.300 nan 0.000 0.473 398 A N 1.040 124.070 122.820 0.350 0.000 1.985 398 A HA -0.263 4.057 4.320 -0.000 0.000 0.223 398 A C 1.719 179.431 177.584 0.213 0.000 1.189 398 A CA 2.523 54.724 52.037 0.274 0.000 0.658 398 A CB -1.247 17.959 19.000 0.344 0.000 0.820 398 A HN 0.862 nan 8.150 nan 0.000 0.464 399 H N -2.373 116.806 119.070 0.181 0.000 2.542 399 H HA 0.457 5.013 4.556 -0.000 0.000 0.283 399 H C 0.537 175.917 175.328 0.086 0.000 1.059 399 H CA -0.066 56.049 56.048 0.112 0.000 1.162 399 H CB -0.160 29.674 29.762 0.121 0.000 1.539 399 H HN 0.424 nan 8.280 nan 0.000 0.543 400 R N 0.465 120.751 120.500 -0.356 0.000 2.892 400 R HA 0.653 4.992 4.340 -0.000 0.000 0.265 400 R C -1.127 175.090 176.300 -0.138 0.000 1.025 400 R CA -0.774 55.121 56.100 -0.341 0.000 0.982 400 R CB 2.126 32.153 30.300 -0.455 0.000 1.185 400 R HN 0.131 nan 8.270 nan 0.000 0.484 401 L N 1.405 122.537 121.223 -0.151 0.000 2.303 401 L HA 0.576 4.916 4.340 -0.000 0.000 0.256 401 L C -2.252 174.482 176.870 -0.225 0.000 1.034 401 L CA -2.532 52.207 54.840 -0.168 0.000 0.832 401 L CB 2.532 44.477 42.059 -0.190 0.000 1.403 401 L HN 0.473 nan 8.230 nan 0.000 0.419 402 P HA -0.050 nan 4.420 nan 0.000 0.270 402 P C -0.421 176.665 177.300 -0.356 0.000 1.221 402 P CA 0.215 63.081 63.100 -0.390 0.000 0.788 402 P CB 0.295 31.411 31.700 -0.973 0.000 0.904 403 A N 1.649 124.219 122.820 -0.416 0.000 2.462 403 A HA -0.241 4.079 4.320 -0.000 0.000 0.294 403 A C 0.760 178.009 177.584 -0.559 0.000 1.461 403 A CA 1.255 52.860 52.037 -0.721 0.000 0.765 403 A CB -2.439 16.168 19.000 -0.655 0.000 1.071 403 A HN 0.692 nan 8.150 nan 0.000 0.401 404 D N -2.995 117.204 120.400 -0.335 0.000 3.079 404 D HA -0.200 4.440 4.640 -0.000 0.000 0.214 404 D C 0.273 176.458 176.300 -0.193 0.000 1.145 404 D CA 1.989 55.893 54.000 -0.160 0.000 0.958 404 D CB -1.500 39.293 40.800 -0.012 0.000 1.117 404 D HN 0.872 nan 8.370 nan 0.000 0.416 405 M N 0.300 119.709 119.600 -0.319 0.000 2.249 405 M HA 0.352 4.832 4.480 -0.000 0.000 0.351 405 M C 0.608 176.811 176.300 -0.162 0.000 1.180 405 M CA -0.400 54.614 55.300 -0.476 0.000 1.127 405 M CB 1.766 33.986 32.600 -0.634 0.000 1.546 405 M HN -0.303 nan 8.290 nan 0.000 0.461 406 V N 2.747 122.716 119.914 0.092 0.000 2.713 406 V HA 0.151 4.271 4.120 -0.000 0.000 0.307 406 V C 0.886 177.064 176.094 0.140 0.000 1.052 406 V CA -0.531 61.856 62.300 0.146 0.000 0.967 406 V CB 1.871 33.838 31.823 0.240 0.000 1.019 406 V HN 0.800 nan 8.190 nan 0.000 0.459 407 V N 2.717 122.668 119.914 0.062 0.000 2.667 407 V HA -0.169 3.951 4.120 -0.000 0.000 0.252 407 V C 2.256 178.373 176.094 0.038 0.000 1.065 407 V CA 2.475 64.784 62.300 0.016 0.000 1.083 407 V CB -0.249 31.547 31.823 -0.046 0.000 0.692 407 V HN 1.150 nan 8.190 nan 0.000 0.468 408 T N -0.290 114.312 114.554 0.081 0.000 2.614 408 T HA -0.149 4.201 4.350 -0.000 0.000 0.263 408 T C 1.150 175.870 174.700 0.033 0.000 1.055 408 T CA 0.984 63.127 62.100 0.072 0.000 1.162 408 T CB -0.413 68.511 68.868 0.094 0.000 0.863 408 T HN 0.468 nan 8.240 nan 0.000 0.414 409 N N 2.618 121.330 118.700 0.020 0.000 2.365 409 N HA -0.029 4.711 4.740 -0.000 0.000 0.265 409 N C -2.153 173.297 175.510 -0.101 0.000 1.288 409 N CA -1.183 51.801 53.050 -0.109 0.000 0.869 409 N CB 1.457 39.733 38.487 -0.352 0.000 1.071 409 N HN 0.056 nan 8.380 nan 0.000 0.480 410 P HA -0.018 nan 4.420 nan 0.000 0.222 410 P C 0.766 178.023 177.300 -0.071 0.000 1.153 410 P CA 0.851 63.914 63.100 -0.060 0.000 0.798 410 P CB 0.401 32.073 31.700 -0.046 0.000 0.796 411 E N -0.808 119.311 120.200 -0.136 0.000 2.072 411 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 411 E C 1.935 178.528 176.600 -0.011 0.000 0.985 411 E CA 1.203 57.539 56.400 -0.106 0.000 0.801 411 E CB -0.845 28.756 29.700 -0.166 0.000 0.750 411 E HN 0.446 nan 8.360 nan 0.000 0.452 412 H N 0.871 119.932 119.070 -0.015 0.000 2.293 412 H HA 0.018 4.574 4.556 -0.000 0.000 0.300 412 H C 2.236 177.553 175.328 -0.019 0.000 1.082 412 H CA 1.139 57.188 56.048 0.002 0.000 1.308 412 H CB -0.401 29.354 29.762 -0.012 0.000 1.375 412 H HN 0.067 nan 8.280 nan 0.000 0.495 413 R N 0.357 120.908 120.500 0.085 0.000 2.113 413 R HA -0.190 4.150 4.340 -0.000 0.000 0.244 413 R C 2.399 178.673 176.300 -0.043 0.000 1.142 413 R CA 1.520 57.613 56.100 -0.012 0.000 0.953 413 R CB -0.282 30.006 30.300 -0.021 0.000 0.860 413 R HN 0.327 nan 8.270 nan 0.000 0.438 414 A N -0.072 122.739 122.820 -0.015 0.000 1.865 414 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 414 A C 1.944 179.519 177.584 -0.016 0.000 1.191 414 A CA 1.964 53.988 52.037 -0.022 0.000 0.623 414 A CB -0.960 18.034 19.000 -0.011 0.000 0.826 414 A HN 0.522 nan 8.150 nan 0.000 0.444 415 H N 0.283 119.290 119.070 -0.104 0.000 2.353 415 H HA -0.090 4.466 4.556 -0.000 0.000 0.298 415 H C 2.171 177.331 175.328 -0.280 0.000 1.103 415 H CA 2.024 57.971 56.048 -0.168 0.000 1.293 415 H CB -0.453 29.227 29.762 -0.136 0.000 1.372 415 H HN 0.392 nan 8.280 nan 0.000 0.501 416 A N 0.555 123.198 122.820 -0.295 0.000 1.902 416 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 416 A C 2.329 179.607 177.584 -0.510 0.000 1.181 416 A CA 1.696 53.410 52.037 -0.538 0.000 0.623 416 A CB -0.478 18.162 19.000 -0.600 0.000 0.818 416 A HN 0.660 nan 8.150 nan 0.000 0.443 417 E N -0.180 119.870 120.200 -0.251 0.000 2.077 417 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 417 E C 1.965 178.518 176.600 -0.078 0.000 0.989 417 E CA 1.208 57.544 56.400 -0.106 0.000 0.800 417 E CB -0.133 29.514 29.700 -0.088 0.000 0.746 417 E HN 0.595 nan 8.360 nan 0.000 0.452 418 E N 0.520 120.644 120.200 -0.127 0.000 2.077 418 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 418 E C 2.195 178.721 176.600 -0.124 0.000 0.989 418 E CA 0.858 57.201 56.400 -0.095 0.000 0.800 418 E CB -0.124 29.531 29.700 -0.075 0.000 0.746 418 E HN 0.388 nan 8.360 nan 0.000 0.452 419 I N -0.443 119.960 120.570 -0.279 0.000 2.406 419 I HA -0.164 4.006 4.170 -0.000 0.000 0.249 419 I C 1.700 177.864 176.117 0.079 0.000 1.122 419 I CA 0.554 61.700 61.300 -0.256 0.000 1.431 419 I CB -0.137 37.439 38.000 -0.707 0.000 1.087 419 I HN 0.109 nan 8.210 nan 0.000 0.424 420 W N 1.866 123.135 121.300 -0.051 0.000 3.204 420 W HA 0.105 4.765 4.660 -0.000 0.000 0.249 420 W C 0.564 177.059 176.519 -0.040 0.000 1.322 420 W CA -0.443 56.888 57.345 -0.023 0.000 1.593 420 W CB -1.059 28.384 29.460 -0.027 0.000 1.122 420 W HN 0.071 nan 8.180 nan 0.000 0.710 421 K N 0.378 120.878 120.400 0.167 0.000 3.653 421 K HA -0.206 4.114 4.320 -0.000 0.000 0.275 421 K C -0.304 176.401 176.600 0.176 0.000 0.962 421 K CA 0.300 56.669 56.287 0.137 0.000 0.773 421 K CB -1.772 30.797 32.500 0.115 0.000 1.463 421 K HN 0.121 nan 8.250 nan 0.000 0.450 422 L N 0.689 121.970 121.223 0.096 0.000 2.303 422 L HA 0.595 4.935 4.340 -0.000 0.000 0.266 422 L C -1.875 174.944 176.870 -0.084 0.000 1.011 422 L CA -2.454 52.349 54.840 -0.061 0.000 0.818 422 L CB 1.427 43.413 42.059 -0.123 0.000 1.326 422 L HN 0.018 nan 8.230 nan 0.000 0.435 423 P HA 0.141 nan 4.420 nan 0.000 0.276 423 P C -0.627 176.586 177.300 -0.146 0.000 1.230 423 P CA -0.325 62.712 63.100 -0.105 0.000 0.776 423 P CB 1.037 32.642 31.700 -0.157 0.000 0.888 424 A N 2.882 125.666 122.820 -0.059 0.000 2.587 424 A HA 0.344 4.664 4.320 -0.000 0.000 0.233 424 A C 1.560 179.091 177.584 -0.088 0.000 1.049 424 A CA 0.804 52.803 52.037 -0.062 0.000 0.754 424 A CB -1.339 17.645 19.000 -0.026 0.000 0.977 424 A HN 0.939 nan 8.150 nan 0.000 0.509 425 G N 0.603 109.353 108.800 -0.084 0.000 2.168 425 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.257 425 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.257 425 G C 0.620 175.443 174.900 -0.128 0.000 0.997 425 G CA 0.814 45.867 45.100 -0.080 0.000 0.708 425 G HN 1.460 nan 8.290 nan 0.000 0.520 426 L N -0.550 120.547 121.223 -0.211 0.000 2.049 426 L HA 0.472 4.812 4.340 -0.000 0.000 0.203 426 L C 1.528 178.253 176.870 -0.241 0.000 1.074 426 L CA 0.878 55.511 54.840 -0.345 0.000 0.749 426 L CB -0.410 41.274 42.059 -0.625 0.000 0.907 426 L HN 0.225 nan 8.230 nan 0.000 0.439 427 L N 1.441 122.563 121.223 -0.169 0.000 2.525 427 L HA 0.097 4.437 4.340 -0.000 0.000 0.278 427 L C -1.973 174.855 176.870 -0.070 0.000 1.218 427 L CA -0.804 53.978 54.840 -0.097 0.000 0.878 427 L CB -0.778 41.243 42.059 -0.063 0.000 1.127 427 L HN 0.112 nan 8.230 nan 0.000 0.492 428 P HA 0.125 nan 4.420 nan 0.000 0.275 428 P C -0.373 176.846 177.300 -0.135 0.000 1.228 428 P CA -0.201 62.856 63.100 -0.073 0.000 0.786 428 P CB 0.545 32.083 31.700 -0.270 0.000 0.927 429 D N 0.863 121.280 120.400 0.029 0.000 2.366 429 D HA 0.004 4.643 4.640 -0.000 0.000 0.205 429 D C 0.242 176.602 176.300 0.100 0.000 1.022 429 D CA 0.236 54.268 54.000 0.053 0.000 0.868 429 D CB -0.049 40.816 40.800 0.108 0.000 0.953 429 D HN 0.473 nan 8.370 nan 0.000 0.514 430 W N 2.409 123.750 121.300 0.068 0.000 2.238 430 W HA 0.449 5.109 4.660 -0.000 0.000 0.321 430 W C -0.367 176.220 176.519 0.112 0.000 1.293 430 W CA -1.157 56.238 57.345 0.084 0.000 1.204 430 W CB 0.256 29.762 29.460 0.076 0.000 1.167 430 W HN -0.418 nan 8.180 nan 0.000 0.553 431 V N 4.806 124.896 119.914 0.294 0.000 2.572 431 V HA 0.263 4.383 4.120 -0.000 0.000 0.291 431 V C 1.304 177.601 176.094 0.339 0.000 1.039 431 V CA 0.288 62.725 62.300 0.229 0.000 1.055 431 V CB 0.186 32.157 31.823 0.246 0.000 0.969 431 V HN 0.771 nan 8.190 nan 0.000 0.482 432 G N 3.082 112.014 108.800 0.219 0.000 2.621 432 G HA2 0.498 4.458 3.960 -0.000 0.000 0.271 432 G HA3 0.498 4.458 3.960 -0.000 0.000 0.271 432 G C 0.057 175.147 174.900 0.317 0.000 1.236 432 G CA -0.120 45.169 45.100 0.315 0.000 0.958 432 G HN 1.144 nan 8.290 nan 0.000 0.512 433 A N 0.238 123.231 122.820 0.289 0.000 2.354 433 A HA 0.538 4.858 4.320 -0.000 0.000 0.281 433 A C 0.386 178.060 177.584 0.151 0.000 1.174 433 A CA -0.491 51.634 52.037 0.145 0.000 0.828 433 A CB -0.540 18.530 19.000 0.116 0.000 1.099 433 A HN 0.955 nan 8.150 nan 0.000 0.516 434 H N 0.787 119.996 119.070 0.232 0.000 2.603 434 H HA 0.604 5.159 4.556 -0.000 0.000 0.370 434 H C 1.279 176.739 175.328 0.220 0.000 1.225 434 H CA -0.181 56.017 56.048 0.250 0.000 1.410 434 H CB 0.407 30.309 29.762 0.232 0.000 1.495 434 H HN 0.617 nan 8.280 nan 0.000 0.602 435 A N 1.791 124.858 122.820 0.412 0.000 1.883 435 A HA -0.306 4.014 4.320 -0.000 0.000 0.222 435 A C 2.485 180.177 177.584 0.180 0.000 1.339 435 A CA 3.112 55.313 52.037 0.273 0.000 0.692 435 A CB -1.484 17.683 19.000 0.278 0.000 0.845 435 A HN 0.603 nan 8.150 nan 0.000 0.467 436 V N -0.181 119.944 119.914 0.352 0.000 2.231 436 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 436 V C 2.592 178.722 176.094 0.059 0.000 1.054 436 V CA 2.775 65.215 62.300 0.233 0.000 1.015 436 V CB -0.826 31.178 31.823 0.303 0.000 0.638 436 V HN 0.828 nan 8.190 nan 0.000 0.444 437 E N -0.429 119.672 120.200 -0.165 0.000 2.065 437 E HA -0.371 3.979 4.350 -0.000 0.000 0.201 437 E C 2.282 178.808 176.600 -0.122 0.000 1.016 437 E CA 2.284 58.510 56.400 -0.291 0.000 0.818 437 E CB -0.278 28.976 29.700 -0.744 0.000 0.749 437 E HN 0.644 nan 8.360 nan 0.000 0.453 438 Q N -0.056 119.691 119.800 -0.088 0.000 2.173 438 Q HA -0.247 4.093 4.340 -0.000 0.000 0.208 438 Q C 1.787 177.716 176.000 -0.118 0.000 0.989 438 Q CA 2.118 57.900 55.803 -0.036 0.000 0.872 438 Q CB -0.001 28.774 28.738 0.063 0.000 0.909 438 Q HN 0.414 nan 8.270 nan 0.000 0.420 439 D N -0.747 119.608 120.400 -0.075 0.000 2.097 439 D HA -0.126 4.514 4.640 -0.000 0.000 0.197 439 D C 1.967 178.258 176.300 -0.014 0.000 0.984 439 D CA 1.011 54.982 54.000 -0.047 0.000 0.826 439 D CB -0.029 40.773 40.800 0.003 0.000 0.973 439 D HN 0.293 nan 8.370 nan 0.000 0.460 440 R N 1.075 121.582 120.500 0.012 0.000 2.070 440 R HA -0.066 4.274 4.340 -0.000 0.000 0.232 440 R C 2.303 178.627 176.300 0.041 0.000 1.138 440 R CA 0.871 57.007 56.100 0.060 0.000 0.936 440 R CB -0.259 30.067 30.300 0.044 0.000 0.839 440 R HN 0.129 nan 8.270 nan 0.000 0.429 441 K N 0.454 120.848 120.400 -0.010 0.000 2.286 441 K HA -0.158 4.162 4.320 -0.000 0.000 0.203 441 K C 1.923 178.501 176.600 -0.035 0.000 1.045 441 K CA 0.832 57.109 56.287 -0.018 0.000 0.935 441 K CB -0.104 32.388 32.500 -0.014 0.000 0.737 441 K HN 0.028 nan 8.250 nan 0.000 0.460 442 L N 0.114 121.294 121.223 -0.072 0.000 2.095 442 L HA -0.108 4.232 4.340 -0.000 0.000 0.204 442 L C 2.268 179.142 176.870 0.006 0.000 1.080 442 L CA 1.734 56.499 54.840 -0.124 0.000 0.759 442 L CB -0.665 41.234 42.059 -0.266 0.000 0.914 442 L HN 0.214 nan 8.230 nan 0.000 0.439 443 H N -0.053 118.978 119.070 -0.066 0.000 2.321 443 H HA -0.133 4.423 4.556 -0.000 0.000 0.300 443 H C 1.627 176.935 175.328 -0.032 0.000 1.087 443 H CA 2.046 58.072 56.048 -0.036 0.000 1.319 443 H CB -0.012 29.741 29.762 -0.015 0.000 1.379 443 H HN 0.320 nan 8.280 nan 0.000 0.501 444 D N -1.148 119.260 120.400 0.012 0.000 2.149 444 D HA 0.048 4.688 4.640 -0.000 0.000 0.201 444 D C 1.512 177.788 176.300 -0.041 0.000 0.972 444 D CA 1.561 55.513 54.000 -0.080 0.000 0.835 444 D CB -0.138 40.623 40.800 -0.064 0.000 0.966 444 D HN 0.616 nan 8.370 nan 0.000 0.476 445 G N 0.388 109.178 108.800 -0.017 0.000 2.159 445 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.170 445 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.170 445 G C 0.838 175.735 174.900 -0.004 0.000 1.007 445 G CA 0.141 45.235 45.100 -0.010 0.000 0.672 445 G HN 0.263 nan 8.290 nan 0.000 0.507 446 E N -0.190 120.005 120.200 -0.007 0.000 2.112 446 E HA 0.086 4.436 4.350 -0.000 0.000 0.190 446 E C 1.141 177.755 176.600 0.024 0.000 0.979 446 E CA 0.612 57.014 56.400 0.002 0.000 0.814 446 E CB 0.461 30.160 29.700 -0.001 0.000 0.762 446 E HN 0.628 nan 8.360 nan 0.000 0.460 447 I N 1.827 122.407 120.570 0.018 0.000 2.339 447 I HA 0.145 4.315 4.170 -0.000 0.000 0.290 447 I C 0.420 176.566 176.117 0.048 0.000 0.994 447 I CA -0.158 61.177 61.300 0.059 0.000 1.191 447 I CB 1.160 39.182 38.000 0.037 0.000 1.343 447 I HN -0.075 nan 8.210 nan 0.000 0.458 448 N N 4.157 122.934 118.700 0.129 0.000 2.210 448 N HA 0.155 4.895 4.740 -0.000 0.000 0.203 448 N C -0.426 175.238 175.510 0.257 0.000 1.175 448 N CA -0.137 52.998 53.050 0.142 0.000 0.894 448 N CB 0.799 39.361 38.487 0.126 0.000 1.041 448 N HN 0.417 nan 8.380 nan 0.000 0.506 449 F N 1.210 121.262 119.950 0.170 0.000 2.493 449 F HA 0.479 5.006 4.527 -0.000 0.000 0.329 449 F C -1.519 174.482 175.800 0.335 0.000 1.126 449 F CA -0.980 57.166 58.000 0.243 0.000 0.937 449 F CB 0.994 40.108 39.000 0.189 0.000 1.146 449 F HN -0.159 nan 8.300 nan 0.000 0.442 450 Y N 6.392 126.476 120.300 -0.361 0.000 2.386 450 Y HA 0.362 4.912 4.550 -0.000 0.000 0.334 450 Y C -2.047 173.757 175.900 -0.160 0.000 1.002 450 Y CA -1.461 56.548 58.100 -0.153 0.000 1.068 450 Y CB 1.124 39.452 38.460 -0.220 0.000 1.203 450 Y HN 0.664 nan 8.280 nan 0.000 0.443 451 W N 7.796 128.908 121.300 -0.314 0.000 2.362 451 W HA 0.666 5.326 4.660 -0.000 0.000 0.316 451 W C -1.689 174.689 176.519 -0.236 0.000 1.024 451 W CA -1.452 55.779 57.345 -0.190 0.000 1.270 451 W CB 1.155 30.671 29.460 0.094 0.000 1.273 451 W HN 0.281 nan 8.180 nan 0.000 0.424 452 V N 6.485 126.528 119.914 0.215 0.000 2.439 452 V HA 0.402 4.522 4.120 -0.000 0.000 0.282 452 V C -0.116 175.997 176.094 0.032 0.000 1.039 452 V CA -0.454 61.896 62.300 0.083 0.000 0.913 452 V CB 1.425 33.383 31.823 0.226 0.000 0.983 452 V HN 0.416 nan 8.190 nan 0.000 0.460 453 Q N 2.280 121.965 119.800 -0.192 0.000 2.289 453 Q HA 0.469 4.809 4.340 -0.000 0.000 0.270 453 Q C -0.555 175.170 176.000 -0.458 0.000 1.038 453 Q CA -0.739 54.893 55.803 -0.285 0.000 0.812 453 Q CB 2.478 31.036 28.738 -0.300 0.000 1.300 453 Q HN 0.616 nan 8.270 nan 0.000 0.427 454 V N 2.284 122.081 119.914 -0.194 0.000 5.616 454 V HA -0.333 3.787 4.120 -0.000 0.000 0.301 454 V C -0.378 175.656 176.094 -0.100 0.000 0.564 454 V CA 1.681 63.906 62.300 -0.125 0.000 0.653 454 V CB -2.487 29.220 31.823 -0.193 0.000 0.372 454 V HN 0.945 nan 8.190 nan 0.000 1.029 455 N N -0.905 117.788 118.700 -0.011 0.000 2.961 455 N HA 0.267 5.007 4.740 -0.000 0.000 0.245 455 N C -0.857 174.759 175.510 0.177 0.000 1.404 455 N CA -0.727 52.370 53.050 0.079 0.000 0.880 455 N CB 1.987 40.462 38.487 -0.019 0.000 1.461 455 N HN 0.098 nan 8.380 nan 0.000 0.510 456 N N 0.599 119.439 118.700 0.232 0.000 2.696 456 N HA 0.140 4.880 4.740 -0.000 0.000 0.308 456 N C -0.118 175.535 175.510 0.237 0.000 1.915 456 N CA -0.317 52.870 53.050 0.228 0.000 0.906 456 N CB -0.680 37.944 38.487 0.228 0.000 1.284 456 N HN 0.672 nan 8.380 nan 0.000 0.488 457 N N 0.254 119.126 118.700 0.287 0.000 2.334 457 N HA -0.151 4.589 4.740 -0.000 0.000 0.187 457 N C 1.278 176.840 175.510 0.087 0.000 1.016 457 N CA 0.603 53.825 53.050 0.287 0.000 0.879 457 N CB 0.204 38.953 38.487 0.435 0.000 0.965 457 N HN 0.291 nan 8.380 nan 0.000 0.438 458 M N 0.597 120.193 119.600 -0.007 0.000 2.446 458 M HA -0.086 4.394 4.480 -0.000 0.000 0.263 458 M C 1.632 177.915 176.300 -0.029 0.000 1.066 458 M CA 1.302 56.528 55.300 -0.123 0.000 1.087 458 M CB -0.338 32.181 32.600 -0.134 0.000 1.406 458 M HN 0.260 nan 8.290 nan 0.000 0.459 459 Q N -2.104 117.730 119.800 0.056 0.000 2.471 459 Q HA 0.175 4.515 4.340 -0.000 0.000 0.241 459 Q C 1.865 177.888 176.000 0.039 0.000 0.886 459 Q CA 0.610 56.477 55.803 0.106 0.000 0.953 459 Q CB 0.380 29.254 28.738 0.227 0.000 1.108 459 Q HN 0.435 nan 8.270 nan 0.000 0.575 460 A N 1.146 123.975 122.820 0.016 0.000 1.897 460 A HA 0.212 4.532 4.320 -0.000 0.000 0.215 460 A C 1.193 178.547 177.584 -0.384 0.000 1.181 460 A CA 0.887 52.696 52.037 -0.379 0.000 0.620 460 A CB -0.636 18.317 19.000 -0.078 0.000 0.821 460 A HN 0.380 nan 8.150 nan 0.000 0.443 461 A N 0.977 123.755 122.820 -0.070 0.000 2.483 461 A HA 0.476 4.796 4.320 -0.000 0.000 0.238 461 A C -2.158 175.413 177.584 -0.021 0.000 1.070 461 A CA -0.873 51.149 52.037 -0.026 0.000 0.770 461 A CB -0.301 18.755 19.000 0.093 0.000 1.008 461 A HN 0.367 nan 8.150 nan 0.000 0.497 462 P HA 0.099 nan 4.420 nan 0.000 0.278 462 P C -0.186 177.087 177.300 -0.044 0.000 1.238 462 P CA -0.227 62.858 63.100 -0.026 0.000 0.794 462 P CB 0.566 32.120 31.700 -0.242 0.000 0.955 463 N N 0.735 119.409 118.700 -0.044 0.000 2.708 463 N HA -0.180 4.560 4.740 -0.000 0.000 0.249 463 N C 1.202 176.692 175.510 -0.033 0.000 1.097 463 N CA 0.705 53.731 53.050 -0.039 0.000 0.710 463 N CB -1.328 37.136 38.487 -0.039 0.000 1.032 463 N HN 0.504 nan 8.380 nan 0.000 0.551 464 I N -2.867 117.681 120.570 -0.036 0.000 2.182 464 I HA -0.324 3.846 4.170 -0.000 0.000 0.248 464 I C 2.035 178.146 176.117 -0.010 0.000 1.073 464 I CA 2.025 63.305 61.300 -0.034 0.000 1.335 464 I CB -0.364 37.605 38.000 -0.051 0.000 1.031 464 I HN 0.023 nan 8.210 nan 0.000 0.420 465 D N 0.481 120.868 120.400 -0.022 0.000 2.144 465 D HA -0.218 4.422 4.640 -0.000 0.000 0.200 465 D C 2.242 178.543 176.300 0.001 0.000 0.978 465 D CA 1.454 55.453 54.000 -0.001 0.000 0.833 465 D CB -0.052 40.734 40.800 -0.022 0.000 0.961 465 D HN 0.586 nan 8.370 nan 0.000 0.470 466 Q N -0.325 119.463 119.800 -0.020 0.000 1.994 466 Q HA -0.094 4.246 4.340 -0.000 0.000 0.198 466 Q C 1.317 177.239 176.000 -0.130 0.000 0.976 466 Q CA 1.502 57.291 55.803 -0.024 0.000 0.828 466 Q CB 0.173 28.915 28.738 0.008 0.000 0.894 466 Q HN 0.165 nan 8.270 nan 0.000 0.432 467 E N -2.110 118.015 120.200 -0.126 0.000 2.571 467 E HA 0.095 4.445 4.350 -0.000 0.000 0.222 467 E C 1.174 177.681 176.600 -0.154 0.000 0.904 467 E CA 0.377 56.649 56.400 -0.212 0.000 1.157 467 E CB 1.040 30.740 29.700 -0.001 0.000 1.158 467 E HN 0.211 nan 8.360 nan 0.000 0.540 468 T N -0.149 114.360 114.554 -0.075 0.000 2.983 468 T HA -0.061 4.289 4.350 -0.000 0.000 0.250 468 T C 1.348 176.041 174.700 -0.012 0.000 1.037 468 T CA 0.492 62.573 62.100 -0.032 0.000 1.142 468 T CB -0.239 68.589 68.868 -0.067 0.000 0.876 468 T HN 0.160 nan 8.240 nan 0.000 0.455 469 Y N 3.908 124.122 120.300 -0.142 0.000 2.114 469 Y HA -0.030 4.520 4.550 -0.000 0.000 0.284 469 Y C -0.807 175.072 175.900 -0.036 0.000 1.143 469 Y CA 0.831 58.870 58.100 -0.101 0.000 1.135 469 Y CB -1.225 37.180 38.460 -0.091 0.000 0.980 469 Y HN 0.131 nan 8.280 nan 0.000 0.499 470 P HA -0.101 nan 4.420 nan 0.000 0.218 470 P C 1.659 178.866 177.300 -0.154 0.000 1.149 470 P CA 2.189 65.121 63.100 -0.280 0.000 0.817 470 P CB -0.387 31.125 31.700 -0.314 0.000 0.785 471 G N -1.297 107.441 108.800 -0.105 0.000 2.422 471 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 471 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 471 G C 1.277 176.188 174.900 0.019 0.000 1.140 471 G CA 0.383 45.486 45.100 0.005 0.000 0.775 471 G HN 0.185 nan 8.290 nan 0.000 0.545 472 Y N 0.433 120.633 120.300 -0.167 0.000 2.420 472 Y HA 0.186 4.736 4.550 -0.000 0.000 0.292 472 Y C 2.513 178.326 175.900 -0.145 0.000 1.119 472 Y CA 0.482 58.511 58.100 -0.120 0.000 1.229 472 Y CB 0.373 38.805 38.460 -0.047 0.000 1.026 472 Y HN 0.000 nan 8.280 nan 0.000 0.554 473 R N -0.048 120.391 120.500 -0.101 0.000 2.334 473 R HA 0.051 4.391 4.340 -0.000 0.000 0.216 473 R C -0.126 176.111 176.300 -0.105 0.000 0.905 473 R CA -0.136 55.866 56.100 -0.163 0.000 1.064 473 R CB -1.065 29.004 30.300 -0.386 0.000 1.046 473 R HN 0.339 nan 8.270 nan 0.000 0.508 474 N N 3.376 122.036 118.700 -0.067 0.000 2.429 474 N HA -0.021 4.719 4.740 -0.000 0.000 0.271 474 N C -1.682 173.815 175.510 -0.021 0.000 1.272 474 N CA -1.210 51.823 53.050 -0.027 0.000 0.921 474 N CB 1.067 39.554 38.487 0.000 0.000 1.128 474 N HN -0.115 nan 8.380 nan 0.000 0.481 475 P HA -0.136 nan 4.420 nan 0.000 0.222 475 P C 0.359 177.660 177.300 0.002 0.000 1.142 475 P CA 1.055 64.135 63.100 -0.032 0.000 0.788 475 P CB 0.281 31.946 31.700 -0.059 0.000 0.767 476 E N -0.462 119.746 120.200 0.013 0.000 2.489 476 E HA 0.093 4.442 4.350 -0.000 0.000 0.193 476 E C -0.003 176.636 176.600 0.066 0.000 1.057 476 E CA 0.086 56.506 56.400 0.033 0.000 0.866 476 E CB -0.622 29.091 29.700 0.021 0.000 0.916 476 E HN 0.485 nan 8.360 nan 0.000 0.500 477 N N -0.316 118.424 118.700 0.066 0.000 2.319 477 N HA 0.342 5.082 4.740 -0.000 0.000 0.305 477 N C -1.254 174.358 175.510 0.170 0.000 1.103 477 N CA -0.624 52.477 53.050 0.086 0.000 0.815 477 N CB 1.463 39.943 38.487 -0.012 0.000 1.288 477 N HN -0.138 nan 8.380 nan 0.000 0.493 478 F N 2.261 122.204 119.950 -0.012 0.000 2.493 478 F HA 0.612 5.139 4.527 -0.000 0.000 0.329 478 F C -1.346 174.347 175.800 -0.178 0.000 1.126 478 F CA -0.732 57.241 58.000 -0.046 0.000 0.937 478 F CB 0.742 39.729 39.000 -0.021 0.000 1.146 478 F HN 0.309 nan 8.300 nan 0.000 0.442 479 I N 6.506 126.683 120.570 -0.655 0.000 2.466 479 I HA 0.442 4.612 4.170 -0.000 0.000 0.289 479 I C -1.130 174.624 176.117 -0.604 0.000 1.026 479 I CA -0.741 60.251 61.300 -0.514 0.000 1.078 479 I CB 1.966 39.789 38.000 -0.295 0.000 1.249 479 I HN 0.280 nan 8.210 nan 0.000 0.429 480 V N 6.784 126.406 119.914 -0.485 0.000 2.483 480 V HA 0.554 4.674 4.120 -0.000 0.000 0.295 480 V C -0.348 175.787 176.094 0.068 0.000 1.035 480 V CA -0.773 61.328 62.300 -0.333 0.000 0.896 480 V CB 1.992 33.439 31.823 -0.626 0.000 0.986 480 V HN 0.379 nan 8.190 nan 0.000 0.447 481 V N 3.118 123.120 119.914 0.147 0.000 2.419 481 V HA 0.351 4.471 4.120 -0.000 0.000 0.287 481 V C -0.036 176.224 176.094 0.277 0.000 1.017 481 V CA -0.281 62.170 62.300 0.252 0.000 0.844 481 V CB 1.949 33.893 31.823 0.201 0.000 1.011 481 V HN 0.920 nan 8.190 nan 0.000 0.429 482 S N 4.304 120.234 115.700 0.384 0.000 2.513 482 S HA 0.625 5.095 4.470 -0.000 0.000 0.276 482 S C -0.440 174.289 174.600 0.215 0.000 1.254 482 S CA -0.315 58.099 58.200 0.356 0.000 1.053 482 S CB 1.066 64.522 63.200 0.427 0.000 0.958 482 S HN 0.866 nan 8.310 nan 0.000 0.491 483 D N -0.054 120.449 120.400 0.172 0.000 2.713 483 D HA 0.487 5.127 4.640 -0.000 0.000 0.306 483 D C -0.541 175.795 176.300 0.059 0.000 1.299 483 D CA -0.476 53.595 54.000 0.118 0.000 0.823 483 D CB 1.478 42.346 40.800 0.114 0.000 1.353 483 D HN 0.466 nan 8.370 nan 0.000 0.447 484 A N -0.062 122.749 122.820 -0.014 0.000 2.419 484 A HA 0.372 4.692 4.320 -0.000 0.000 0.233 484 A C -0.525 176.816 177.584 -0.405 0.000 1.217 484 A CA 0.238 52.146 52.037 -0.215 0.000 0.944 484 A CB 0.339 19.154 19.000 -0.308 0.000 1.025 484 A HN 0.392 nan 8.150 nan 0.000 0.524 485 Y N -2.247 118.077 120.300 0.039 0.000 2.588 485 Y HA 0.384 4.934 4.550 -0.000 0.000 0.343 485 Y C -1.926 173.978 175.900 0.007 0.000 1.065 485 Y CA -2.158 55.953 58.100 0.018 0.000 1.038 485 Y CB 1.387 39.862 38.460 0.025 0.000 1.297 485 Y HN -0.085 nan 8.280 nan 0.000 0.467 486 P HA -0.224 nan 4.420 nan 0.000 0.211 486 P C -0.447 176.894 177.300 0.068 0.000 0.906 486 P CA 2.657 65.796 63.100 0.064 0.000 1.017 486 P CB -0.169 31.558 31.700 0.045 0.000 0.717 487 T N -3.756 110.844 114.554 0.076 0.000 0.541 487 T HA -0.135 4.215 4.350 -0.000 0.000 0.774 487 T C 0.578 175.319 174.700 0.068 0.000 0.992 487 T CA 0.226 62.377 62.100 0.085 0.000 4.077 487 T CB -0.767 68.173 68.868 0.121 0.000 2.303 487 T HN 0.069 nan 8.240 nan 0.000 0.398 488 V N 3.256 123.210 119.914 0.067 0.000 2.427 488 V HA -0.145 3.975 4.120 -0.000 0.000 0.248 488 V C 2.403 178.548 176.094 0.086 0.000 1.051 488 V CA 2.845 65.181 62.300 0.061 0.000 1.048 488 V CB -0.642 31.202 31.823 0.034 0.000 0.666 488 V HN 1.143 nan 8.190 nan 0.000 0.456 489 T N 0.376 114.987 114.554 0.094 0.000 2.699 489 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 489 T C 1.713 176.520 174.700 0.178 0.000 1.036 489 T CA 1.670 63.842 62.100 0.119 0.000 1.147 489 T CB -0.857 68.106 68.868 0.159 0.000 0.862 489 T HN 0.675 nan 8.240 nan 0.000 0.446 490 G N 0.855 109.738 108.800 0.138 0.000 2.408 490 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 490 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 490 G C 1.578 176.548 174.900 0.116 0.000 1.150 490 G CA 0.426 45.587 45.100 0.102 0.000 0.776 490 G HN 0.386 nan 8.290 nan 0.000 0.542 491 R N 0.501 121.069 120.500 0.114 0.000 2.120 491 R HA 0.022 4.362 4.340 -0.000 0.000 0.234 491 R C 2.314 178.794 176.300 0.301 0.000 1.123 491 R CA 1.145 57.358 56.100 0.189 0.000 0.975 491 R CB -0.195 30.184 30.300 0.132 0.000 0.866 491 R HN 0.311 nan 8.270 nan 0.000 0.446 492 A N -0.404 122.571 122.820 0.259 0.000 2.370 492 A HA 0.415 4.735 4.320 -0.000 0.000 0.238 492 A C 0.385 178.162 177.584 0.322 0.000 1.289 492 A CA 0.309 52.519 52.037 0.289 0.000 0.885 492 A CB 0.022 19.181 19.000 0.265 0.000 0.961 492 A HN 0.390 nan 8.150 nan 0.000 0.499 493 A N -0.788 122.232 122.820 0.334 0.000 2.452 493 A HA 0.650 4.970 4.320 -0.000 0.000 0.285 493 A C 0.253 177.967 177.584 0.218 0.000 1.209 493 A CA -0.080 52.111 52.037 0.256 0.000 0.940 493 A CB 0.655 19.780 19.000 0.209 0.000 1.440 493 A HN 0.141 nan 8.150 nan 0.000 0.480 494 D N -1.762 118.643 120.400 0.009 0.000 2.482 494 D HA 0.192 4.832 4.640 -0.000 0.000 0.251 494 D C -0.675 175.604 176.300 -0.034 0.000 1.073 494 D CA 0.466 54.427 54.000 -0.065 0.000 0.892 494 D CB 0.690 41.342 40.800 -0.247 0.000 1.202 494 D HN 0.188 nan 8.370 nan 0.000 0.496 495 L N 1.525 122.644 121.223 -0.174 0.000 2.406 495 L HA 0.439 4.778 4.340 -0.000 0.000 0.272 495 L C -1.550 175.310 176.870 -0.017 0.000 0.980 495 L CA -0.820 53.971 54.840 -0.081 0.000 0.831 495 L CB 2.216 44.124 42.059 -0.252 0.000 1.253 495 L HN -0.334 nan 8.230 nan 0.000 0.406 496 V N 6.533 126.463 119.914 0.028 0.000 2.378 496 V HA 0.477 4.597 4.120 -0.000 0.000 0.288 496 V C -0.251 175.819 176.094 -0.040 0.000 1.016 496 V CA -0.449 61.843 62.300 -0.013 0.000 0.840 496 V CB 1.663 33.409 31.823 -0.128 0.000 0.994 496 V HN 0.612 nan 8.190 nan 0.000 0.431 497 L N 8.248 129.509 121.223 0.064 0.000 2.282 497 L HA 0.509 4.849 4.340 -0.000 0.000 0.288 497 L C -2.193 174.772 176.870 0.159 0.000 1.033 497 L CA -1.820 53.067 54.840 0.078 0.000 0.807 497 L CB 1.974 44.261 42.059 0.380 0.000 1.209 497 L HN 0.390 nan 8.230 nan 0.000 0.423 498 P HA 0.151 nan 4.420 nan 0.000 0.271 498 P C -0.991 176.481 177.300 0.286 0.000 1.220 498 P CA -0.162 63.007 63.100 0.116 0.000 0.768 498 P CB 1.480 33.187 31.700 0.013 0.000 0.848 499 A N 3.509 126.440 122.820 0.184 0.000 2.337 499 A HA 0.679 4.998 4.320 -0.000 0.000 0.329 499 A C -0.003 177.642 177.584 0.102 0.000 1.146 499 A CA -0.835 51.323 52.037 0.203 0.000 0.800 499 A CB 1.097 20.221 19.000 0.207 0.000 1.220 499 A HN 0.572 nan 8.150 nan 0.000 0.472 500 A N 2.705 125.592 122.820 0.112 0.000 2.409 500 A HA 0.557 4.877 4.320 -0.000 0.000 0.262 500 A C 0.228 177.864 177.584 0.087 0.000 1.113 500 A CA -0.104 51.948 52.037 0.025 0.000 0.790 500 A CB 0.048 19.017 19.000 -0.052 0.000 1.046 500 A HN 1.009 nan 8.150 nan 0.000 0.496 501 M N 2.735 122.362 119.600 0.045 0.000 2.613 501 M HA 0.317 4.797 4.480 -0.000 0.000 0.301 501 M C 0.785 177.202 176.300 0.195 0.000 1.205 501 M CA -0.455 54.904 55.300 0.099 0.000 0.950 501 M CB 0.684 33.282 32.600 -0.004 0.000 1.585 501 M HN 1.018 nan 8.290 nan 0.000 0.490 502 W N 1.818 123.116 121.300 -0.003 0.000 2.413 502 W HA -0.377 4.283 4.660 -0.000 0.000 0.328 502 W C 0.910 177.486 176.519 0.094 0.000 1.476 502 W CA 2.854 60.164 57.345 -0.059 0.000 1.382 502 W CB -1.636 27.666 29.460 -0.264 0.000 0.910 502 W HN 0.422 nan 8.180 nan 0.000 0.509 503 V N 1.492 121.205 119.914 -0.335 0.000 3.646 503 V HA -0.038 4.082 4.120 -0.000 0.000 0.277 503 V C 1.521 177.559 176.094 -0.093 0.000 1.274 503 V CA 1.668 63.708 62.300 -0.434 0.000 1.164 503 V CB -0.437 30.778 31.823 -1.013 0.000 0.926 503 V HN 0.351 nan 8.190 nan 0.000 0.442 504 E N 1.005 121.194 120.200 -0.019 0.000 2.489 504 E HA 0.051 4.401 4.350 -0.000 0.000 0.193 504 E C 0.718 177.304 176.600 -0.024 0.000 1.057 504 E CA 0.100 56.470 56.400 -0.049 0.000 0.866 504 E CB 0.296 29.948 29.700 -0.080 0.000 0.916 504 E HN 0.531 nan 8.360 nan 0.000 0.500 505 K N 1.204 121.676 120.400 0.120 0.000 2.501 505 K HA 0.242 4.562 4.320 -0.000 0.000 0.252 505 K C -1.221 175.476 176.600 0.162 0.000 0.934 505 K CA -0.666 55.736 56.287 0.193 0.000 0.797 505 K CB 1.999 34.655 32.500 0.261 0.000 1.270 505 K HN -0.135 nan 8.250 nan 0.000 0.431 506 E N 1.802 122.059 120.200 0.095 0.000 2.384 506 E HA 0.371 4.720 4.350 -0.000 0.000 0.266 506 E C -0.502 175.939 176.600 -0.264 0.000 1.012 506 E CA -0.039 56.315 56.400 -0.078 0.000 0.901 506 E CB 0.664 30.419 29.700 0.092 0.000 0.967 506 E HN 0.775 nan 8.360 nan 0.000 0.435 507 G N 1.675 109.765 108.800 -1.183 0.000 2.721 507 G HA2 0.711 4.671 3.960 -0.000 0.000 0.296 507 G HA3 0.711 4.671 3.960 -0.000 0.000 0.296 507 G C -1.700 171.916 174.900 -2.141 0.000 1.383 507 G CA -0.284 43.850 45.100 -1.610 0.000 0.788 507 G HN 0.724 nan 8.290 nan 0.000 0.500 508 A N -1.037 120.553 122.820 -2.050 0.000 2.549 508 A HA 0.835 5.155 4.320 -0.000 0.000 0.297 508 A C -2.077 175.174 177.584 -0.555 0.000 1.061 508 A CA -0.554 50.741 52.037 -1.237 0.000 0.690 508 A CB 1.589 19.579 19.000 -1.684 0.000 1.287 508 A HN 0.809 nan 8.150 nan 0.000 0.402 509 Y N -0.506 119.835 120.300 0.070 0.000 2.638 509 Y HA 0.740 5.290 4.550 -0.000 0.000 0.339 509 Y C 0.602 176.550 175.900 0.080 0.000 1.084 509 Y CA -1.143 57.064 58.100 0.179 0.000 1.068 509 Y CB 2.541 41.251 38.460 0.417 0.000 1.294 509 Y HN 1.037 nan 8.280 nan 0.000 0.480 510 G N 2.125 111.071 108.800 0.244 0.000 2.730 510 G HA2 0.376 4.336 3.960 -0.000 0.000 0.291 510 G HA3 0.376 4.336 3.960 -0.000 0.000 0.291 510 G C -0.979 173.982 174.900 0.101 0.000 1.456 510 G CA -0.838 44.323 45.100 0.101 0.000 0.996 510 G HN 0.583 nan 8.290 nan 0.000 0.528 511 N N 1.281 119.998 118.700 0.028 0.000 2.408 511 N HA 0.366 5.106 4.740 -0.000 0.000 0.260 511 N C 1.534 177.124 175.510 0.134 0.000 1.242 511 N CA 0.007 53.140 53.050 0.139 0.000 0.959 511 N CB 1.185 39.804 38.487 0.220 0.000 1.201 511 N HN 0.362 nan 8.380 nan 0.000 0.511 512 A N -0.264 122.710 122.820 0.257 0.000 2.139 512 A HA -0.224 4.096 4.320 -0.000 0.000 0.221 512 A C 1.203 178.902 177.584 0.191 0.000 1.159 512 A CA 1.819 54.015 52.037 0.264 0.000 0.662 512 A CB -0.982 18.303 19.000 0.476 0.000 0.796 512 A HN 0.885 nan 8.150 nan 0.000 0.463 513 E N -1.326 118.875 120.200 0.002 0.000 2.499 513 E HA 0.399 4.749 4.350 -0.000 0.000 0.207 513 E C 0.197 176.628 176.600 -0.282 0.000 1.034 513 E CA -0.688 55.609 56.400 -0.172 0.000 1.098 513 E CB -0.194 29.013 29.700 -0.823 0.000 1.148 513 E HN 0.391 nan 8.360 nan 0.000 0.447 514 R N 0.364 120.690 120.500 -0.291 0.000 3.651 514 R HA -0.196 4.144 4.340 -0.000 0.000 0.292 514 R C -0.318 175.833 176.300 -0.248 0.000 1.161 514 R CA 0.804 56.605 56.100 -0.499 0.000 0.787 514 R CB -1.831 27.778 30.300 -1.153 0.000 1.249 514 R HN 0.372 nan 8.270 nan 0.000 0.476 515 R N 0.916 121.310 120.500 -0.177 0.000 2.229 515 R HA 0.236 4.576 4.340 -0.000 0.000 0.332 515 R C -0.855 175.273 176.300 -0.288 0.000 0.989 515 R CA -0.160 55.809 56.100 -0.220 0.000 0.842 515 R CB 1.171 31.277 30.300 -0.323 0.000 1.119 515 R HN -0.043 nan 8.270 nan 0.000 0.456 516 T N 5.829 120.293 114.554 -0.150 0.000 2.770 516 T HA 0.288 4.637 4.350 -0.000 0.000 0.297 516 T C -1.214 173.340 174.700 -0.242 0.000 0.997 516 T CA -0.626 61.354 62.100 -0.200 0.000 0.949 516 T CB 0.301 69.070 68.868 -0.165 0.000 0.941 516 T HN 0.662 nan 8.240 nan 0.000 0.457 517 H N 1.275 120.383 119.070 0.064 0.000 2.690 517 H HA 0.761 5.317 4.556 -0.000 0.000 0.368 517 H C -1.066 174.430 175.328 0.279 0.000 1.150 517 H CA -1.614 54.502 56.048 0.113 0.000 1.174 517 H CB 0.374 30.222 29.762 0.144 0.000 1.684 517 H HN 0.231 nan 8.280 nan 0.000 0.538 518 F N 0.375 120.302 119.950 -0.037 0.000 2.452 518 F HA 0.609 5.135 4.527 -0.000 0.000 0.353 518 F C -0.463 175.413 175.800 0.127 0.000 1.089 518 F CA -1.511 56.349 58.000 -0.234 0.000 1.080 518 F CB 1.006 39.583 39.000 -0.705 0.000 1.399 518 F HN 0.869 nan 8.300 nan 0.000 0.492 519 W N -0.286 121.038 121.300 0.040 0.000 3.818 519 W HA 0.418 5.078 4.660 -0.000 0.000 0.283 519 W C -1.628 174.892 176.519 0.002 0.000 1.265 519 W CA -0.790 56.538 57.345 -0.028 0.000 1.226 519 W CB 0.010 29.383 29.460 -0.145 0.000 1.281 519 W HN 0.345 nan 8.180 nan 0.000 0.539 520 H N 1.684 120.844 119.070 0.149 0.000 2.548 520 H HA 0.185 4.741 4.556 -0.000 0.000 0.366 520 H C -0.398 174.961 175.328 0.052 0.000 1.433 520 H CA -0.078 55.920 56.048 -0.083 0.000 1.443 520 H CB 1.154 30.554 29.762 -0.604 0.000 1.594 520 H HN 0.648 nan 8.280 nan 0.000 0.608 521 Q N 1.155 121.074 119.800 0.199 0.000 2.294 521 Q HA 0.083 4.423 4.340 -0.000 0.000 0.257 521 Q C -0.190 175.888 176.000 0.130 0.000 0.955 521 Q CA -0.592 55.297 55.803 0.143 0.000 0.936 521 Q CB 0.555 29.355 28.738 0.105 0.000 1.188 521 Q HN 0.339 nan 8.270 nan 0.000 0.420 522 L N 4.418 125.676 121.223 0.058 0.000 2.515 522 L HA 0.179 4.519 4.340 -0.000 0.000 0.223 522 L C 0.361 177.218 176.870 -0.022 0.000 1.079 522 L CA 0.531 55.388 54.840 0.029 0.000 0.857 522 L CB 0.287 42.316 42.059 -0.050 0.000 1.050 522 L HN 0.562 nan 8.230 nan 0.000 0.476 523 V N -4.808 115.084 119.914 -0.037 0.000 3.206 523 V HA 0.549 4.669 4.120 -0.000 0.000 0.305 523 V C -0.706 175.353 176.094 -0.058 0.000 1.257 523 V CA -1.178 61.100 62.300 -0.037 0.000 1.057 523 V CB 2.171 33.987 31.823 -0.012 0.000 1.075 523 V HN 0.059 nan 8.190 nan 0.000 0.443 524 E N 1.153 121.319 120.200 -0.058 0.000 2.231 524 E HA 0.681 5.031 4.350 -0.000 0.000 0.277 524 E C -0.022 176.520 176.600 -0.096 0.000 0.999 524 E CA -0.480 55.859 56.400 -0.101 0.000 0.827 524 E CB 2.046 31.694 29.700 -0.087 0.000 1.101 524 E HN 1.100 nan 8.360 nan 0.000 0.393 525 A N 4.035 126.759 122.820 -0.160 0.000 2.366 525 A HA 0.293 4.613 4.320 -0.000 0.000 0.249 525 A C -1.923 175.616 177.584 -0.075 0.000 1.084 525 A CA -1.029 50.933 52.037 -0.125 0.000 0.794 525 A CB -0.322 18.577 19.000 -0.167 0.000 1.034 525 A HN 0.431 nan 8.150 nan 0.000 0.491 526 P HA 0.373 nan 4.420 nan 0.000 0.275 526 P C 0.892 178.181 177.300 -0.019 0.000 1.228 526 P CA 1.069 64.161 63.100 -0.013 0.000 0.786 526 P CB 0.793 32.499 31.700 0.010 0.000 0.927 527 G N 3.444 112.238 108.800 -0.011 0.000 2.651 527 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.315 527 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.315 527 G C 0.557 175.460 174.900 0.004 0.000 1.258 527 G CA 0.176 45.272 45.100 -0.006 0.000 1.002 527 G HN 0.568 nan 8.290 nan 0.000 0.551 528 E N 1.730 121.948 120.200 0.030 0.000 2.419 528 E HA 0.475 4.825 4.350 -0.000 0.000 0.190 528 E C 1.291 178.040 176.600 0.250 0.000 1.040 528 E CA 0.581 57.056 56.400 0.126 0.000 0.900 528 E CB 0.142 29.910 29.700 0.114 0.000 1.054 528 E HN 0.850 nan 8.360 nan 0.000 0.462 529 A N 1.787 124.677 122.820 0.118 0.000 2.407 529 A HA 0.375 4.695 4.320 -0.000 0.000 0.248 529 A C 0.351 177.963 177.584 0.047 0.000 1.082 529 A CA 0.003 52.138 52.037 0.163 0.000 0.785 529 A CB 0.493 19.528 19.000 0.058 0.000 1.020 529 A HN 0.003 nan 8.150 nan 0.000 0.489 530 R N 1.284 121.848 120.500 0.107 0.000 2.698 530 R HA 0.426 4.766 4.340 -0.000 0.000 0.275 530 R C -0.224 176.239 176.300 0.270 0.000 1.001 530 R CA -0.337 55.751 56.100 -0.019 0.000 0.896 530 R CB 1.450 31.250 30.300 -0.834 0.000 1.218 530 R HN 0.930 nan 8.270 nan 0.000 0.462 531 S N 0.213 116.208 115.700 0.492 0.000 2.549 531 S HA -0.053 4.417 4.470 -0.000 0.000 0.278 531 S C 0.661 175.487 174.600 0.376 0.000 1.344 531 S CA -0.139 58.288 58.200 0.378 0.000 1.025 531 S CB 0.589 64.001 63.200 0.354 0.000 0.851 531 S HN 0.527 nan 8.310 nan 0.000 0.530 532 D N 0.377 120.972 120.400 0.326 0.000 2.178 532 D HA -0.095 4.545 4.640 -0.000 0.000 0.202 532 D C 1.791 178.209 176.300 0.197 0.000 0.974 532 D CA 0.934 55.118 54.000 0.307 0.000 0.841 532 D CB -0.167 40.851 40.800 0.364 0.000 0.953 532 D HN 0.479 nan 8.370 nan 0.000 0.478 533 L N 0.265 121.582 121.223 0.156 0.000 1.989 533 L HA -0.167 4.173 4.340 -0.000 0.000 0.211 533 L C 2.225 179.155 176.870 0.099 0.000 1.071 533 L CA 1.782 56.652 54.840 0.050 0.000 0.749 533 L CB -0.777 41.329 42.059 0.077 0.000 0.890 533 L HN 0.159 nan 8.230 nan 0.000 0.431 534 W N 0.420 121.712 121.300 -0.014 0.000 2.333 534 W HA -0.279 4.381 4.660 -0.000 0.000 0.316 534 W C 2.604 179.209 176.519 0.143 0.000 1.215 534 W CA 2.282 59.633 57.345 0.011 0.000 1.278 534 W CB -0.422 28.926 29.460 -0.188 0.000 1.154 534 W HN 0.269 nan 8.180 nan 0.000 0.486 535 Q N -0.352 119.769 119.800 0.536 0.000 2.096 535 Q HA -0.297 4.043 4.340 -0.000 0.000 0.208 535 Q C 2.114 178.385 176.000 0.451 0.000 0.993 535 Q CA 2.070 58.193 55.803 0.532 0.000 0.862 535 Q CB -0.805 28.388 28.738 0.759 0.000 0.915 535 Q HN 0.286 nan 8.270 nan 0.000 0.416 536 L N 0.212 121.580 121.223 0.242 0.000 1.961 536 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 536 L C 2.350 179.282 176.870 0.104 0.000 1.072 536 L CA 1.814 56.764 54.840 0.184 0.000 0.749 536 L CB -0.979 41.031 42.059 -0.081 0.000 0.889 536 L HN 0.338 nan 8.230 nan 0.000 0.432 537 M N -1.269 118.219 119.600 -0.187 0.000 2.089 537 M HA -0.281 4.199 4.480 -0.000 0.000 0.257 537 M C 2.183 178.480 176.300 -0.006 0.000 1.071 537 M CA 2.075 57.170 55.300 -0.342 0.000 1.096 537 M CB -0.868 31.389 32.600 -0.573 0.000 1.330 537 M HN 0.232 nan 8.290 nan 0.000 0.403 538 E N 0.686 120.743 120.200 -0.238 0.000 2.077 538 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 538 E C 1.677 178.016 176.600 -0.435 0.000 0.989 538 E CA 1.239 57.381 56.400 -0.431 0.000 0.800 538 E CB -0.404 28.695 29.700 -1.002 0.000 0.746 538 E HN 0.402 nan 8.360 nan 0.000 0.452 539 F N 0.403 119.989 119.950 -0.607 0.000 2.408 539 F HA -0.080 4.447 4.527 -0.000 0.000 0.300 539 F C 2.073 177.853 175.800 -0.033 0.000 1.090 539 F CA 1.110 58.749 58.000 -0.601 0.000 1.427 539 F CB -0.435 38.498 39.000 -0.113 0.000 1.070 539 F HN -0.032 nan 8.300 nan 0.000 0.549 540 S N 0.385 116.085 115.700 -0.001 0.000 2.345 540 S HA -0.187 4.283 4.470 -0.000 0.000 0.220 540 S C 1.741 176.352 174.600 0.017 0.000 1.031 540 S CA 1.222 59.457 58.200 0.058 0.000 0.996 540 S CB -0.254 63.181 63.200 0.391 0.000 0.882 540 S HN 0.365 nan 8.310 nan 0.000 0.445 541 K N 0.481 120.818 120.400 -0.106 0.000 2.587 541 K HA -0.125 4.195 4.320 -0.000 0.000 0.196 541 K C 1.750 178.214 176.600 -0.226 0.000 1.046 541 K CA 0.779 56.902 56.287 -0.273 0.000 0.930 541 K CB -0.076 32.121 32.500 -0.504 0.000 0.771 541 K HN 0.049 nan 8.250 nan 0.000 0.492 542 R N -0.650 119.704 120.500 -0.243 0.000 2.206 542 R HA 0.149 4.489 4.340 -0.000 0.000 0.198 542 R C -0.087 175.877 176.300 -0.560 0.000 0.986 542 R CA 0.439 56.270 56.100 -0.448 0.000 1.029 542 R CB 0.395 30.252 30.300 -0.738 0.000 0.966 542 R HN -0.039 nan 8.270 nan 0.000 0.487 543 F N -1.333 118.481 119.950 -0.226 0.000 2.440 543 F HA 0.466 4.992 4.527 -0.000 0.000 0.328 543 F C 0.647 176.333 175.800 -0.190 0.000 1.070 543 F CA -0.728 57.170 58.000 -0.169 0.000 1.011 543 F CB 1.553 40.499 39.000 -0.090 0.000 1.226 543 F HN -0.332 nan 8.300 nan 0.000 0.491 544 T N -0.511 114.038 114.554 -0.009 0.000 2.887 544 T HA 0.275 4.625 4.350 -0.000 0.000 0.288 544 T C 0.909 175.477 174.700 -0.221 0.000 1.021 544 T CA -0.407 61.620 62.100 -0.121 0.000 1.000 544 T CB 1.228 70.037 68.868 -0.098 0.000 1.034 544 T HN 0.758 nan 8.240 nan 0.000 0.467 545 T N 1.900 116.239 114.554 -0.360 0.000 2.822 545 T HA -0.119 4.231 4.350 -0.000 0.000 0.270 545 T C 0.977 175.538 174.700 -0.231 0.000 1.064 545 T CA 1.207 62.956 62.100 -0.584 0.000 1.131 545 T CB -0.271 68.272 68.868 -0.542 0.000 0.858 545 T HN 0.607 nan 8.240 nan 0.000 0.483 546 D N 1.416 121.755 120.400 -0.102 0.000 1.821 546 D HA 0.018 4.658 4.640 -0.000 0.000 0.307 546 D C 1.705 178.009 176.300 0.007 0.000 1.054 546 D CA 0.340 54.334 54.000 -0.010 0.000 0.832 546 D CB -0.733 40.059 40.800 -0.014 0.000 1.150 546 D HN 0.317 nan 8.370 nan 0.000 0.407 547 E N -1.020 119.188 120.200 0.013 0.000 2.986 547 E HA -0.324 4.026 4.350 -0.000 0.000 0.215 547 E C 1.764 178.422 176.600 0.096 0.000 0.977 547 E CA 3.140 59.567 56.400 0.045 0.000 1.777 547 E CB -0.430 29.297 29.700 0.045 0.000 1.681 547 E HN 0.234 nan 8.360 nan 0.000 0.405 548 V N -2.225 117.756 119.914 0.111 0.000 2.922 548 V HA 0.053 4.173 4.120 -0.000 0.000 0.242 548 V C 0.762 177.064 176.094 0.347 0.000 1.094 548 V CA 0.462 62.882 62.300 0.200 0.000 1.106 548 V CB -0.239 31.716 31.823 0.220 0.000 0.799 548 V HN 0.187 nan 8.190 nan 0.000 0.474 549 W N 1.988 123.313 121.300 0.042 0.000 2.237 549 W HA 0.477 5.137 4.660 -0.000 0.000 0.335 549 W C -2.228 174.309 176.519 0.029 0.000 1.230 549 W CA -2.970 54.388 57.345 0.021 0.000 1.253 549 W CB -0.719 28.733 29.460 -0.013 0.000 1.129 549 W HN 0.016 nan 8.180 nan 0.000 0.590 550 P HA 0.003 nan 4.420 nan 0.000 0.268 550 P C 0.510 177.893 177.300 0.138 0.000 1.205 550 P CA 0.289 63.467 63.100 0.131 0.000 0.771 550 P CB 0.850 32.590 31.700 0.067 0.000 0.858 551 E N 2.442 122.706 120.200 0.108 0.000 2.118 551 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 551 E C 1.249 177.902 176.600 0.088 0.000 0.992 551 E CA 1.166 57.625 56.400 0.098 0.000 0.804 551 E CB -0.261 29.481 29.700 0.071 0.000 0.741 551 E HN 0.560 nan 8.360 nan 0.000 0.458 552 E N 1.167 121.407 120.200 0.068 0.000 2.033 552 E HA -0.211 4.139 4.350 -0.000 0.000 0.199 552 E C 2.314 178.952 176.600 0.064 0.000 1.011 552 E CA 1.347 57.780 56.400 0.054 0.000 0.815 552 E CB -0.365 29.357 29.700 0.036 0.000 0.755 552 E HN 0.283 nan 8.360 nan 0.000 0.451 553 I N 1.371 121.975 120.570 0.058 0.000 2.194 553 I HA -0.328 3.842 4.170 -0.000 0.000 0.246 553 I C 2.511 178.714 176.117 0.144 0.000 1.093 553 I CA 1.095 62.426 61.300 0.053 0.000 1.355 553 I CB -0.267 37.712 38.000 -0.036 0.000 1.046 553 I HN 0.135 nan 8.210 nan 0.000 0.413 554 L N 0.087 121.424 121.223 0.190 0.000 1.976 554 L HA -0.256 4.084 4.340 -0.000 0.000 0.209 554 L C 2.895 179.862 176.870 0.162 0.000 1.071 554 L CA 2.074 57.052 54.840 0.229 0.000 0.746 554 L CB -1.049 41.125 42.059 0.192 0.000 0.890 554 L HN 0.447 nan 8.230 nan 0.000 0.432 555 S N 0.636 116.403 115.700 0.111 0.000 2.378 555 S HA -0.334 4.135 4.470 -0.000 0.000 0.229 555 S C 2.158 176.807 174.600 0.081 0.000 1.052 555 S CA 1.652 59.899 58.200 0.079 0.000 1.084 555 S CB -0.690 62.546 63.200 0.060 0.000 0.950 555 S HN 0.405 nan 8.310 nan 0.000 0.440 556 A N 1.927 124.799 122.820 0.087 0.000 1.948 556 A HA 0.418 4.738 4.320 -0.000 0.000 0.220 556 A C 1.495 179.144 177.584 0.108 0.000 1.177 556 A CA 1.492 53.579 52.037 0.083 0.000 0.636 556 A CB -0.932 18.114 19.000 0.076 0.000 0.815 556 A HN 1.519 nan 8.150 nan 0.000 0.449 557 A N -1.166 121.757 122.820 0.173 0.000 2.605 557 A HA 0.597 4.917 4.320 -0.000 0.000 0.293 557 A C -1.569 176.104 177.584 0.149 0.000 1.216 557 A CA -1.199 50.947 52.037 0.181 0.000 0.742 557 A CB 0.798 20.010 19.000 0.354 0.000 1.170 557 A HN 0.084 nan 8.150 nan 0.000 0.443 558 P HA -0.216 nan 4.420 nan 0.000 0.214 558 P C 0.957 178.230 177.300 -0.045 0.000 1.169 558 P CA 1.989 65.097 63.100 0.013 0.000 0.908 558 P CB 0.067 31.759 31.700 -0.014 0.000 0.791 559 A N -0.575 122.142 122.820 -0.172 0.000 2.898 559 A HA 0.113 4.433 4.320 -0.000 0.000 0.288 559 A C -0.563 176.680 177.584 -0.569 0.000 1.771 559 A CA 0.332 52.182 52.037 -0.313 0.000 1.383 559 A CB -2.097 16.677 19.000 -0.378 0.000 1.028 559 A HN 0.378 nan 8.150 nan 0.000 0.595 560 Y N -0.134 120.164 120.300 -0.002 0.000 3.641 560 Y HA 0.021 4.571 4.550 -0.000 0.000 0.181 560 Y C 0.130 176.000 175.900 -0.052 0.000 0.497 560 Y CA -0.603 57.481 58.100 -0.026 0.000 1.080 560 Y CB -0.410 38.170 38.460 0.201 0.000 1.097 560 Y HN 0.652 nan 8.280 nan 0.000 0.567 561 R N 0.672 121.194 120.500 0.037 0.000 2.569 561 R HA 0.552 4.892 4.340 -0.000 0.000 0.293 561 R C 0.467 176.747 176.300 -0.034 0.000 1.186 561 R CA 0.141 56.246 56.100 0.008 0.000 0.956 561 R CB 1.752 32.067 30.300 0.025 0.000 1.196 561 R HN 0.495 nan 8.270 nan 0.000 0.444 562 G N 2.403 111.167 108.800 -0.060 0.000 3.298 562 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.260 562 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.260 562 G C 0.347 175.189 174.900 -0.097 0.000 1.681 562 G CA 0.144 45.203 45.100 -0.069 0.000 1.094 562 G HN 0.506 nan 8.290 nan 0.000 0.575 563 K N -0.142 120.209 120.400 -0.081 0.000 11.179 563 K HA -0.347 3.973 4.320 -0.000 0.000 0.530 563 K C 1.112 177.658 176.600 -0.091 0.000 0.396 563 K CA 4.392 60.626 56.287 -0.087 0.000 1.922 563 K CB -2.302 30.135 32.500 -0.105 0.000 0.793 563 K HN 2.981 nan 8.250 nan 0.000 1.249 564 T N -2.185 112.286 114.554 -0.140 0.000 0.554 564 T HA -0.120 4.230 4.350 -0.000 0.000 0.772 564 T C -0.145 174.482 174.700 -0.122 0.000 0.992 564 T CA 0.425 62.456 62.100 -0.115 0.000 4.069 564 T CB -1.475 67.352 68.868 -0.069 0.000 2.299 564 T HN 0.322 nan 8.240 nan 0.000 0.397 565 L N 4.748 125.877 121.223 -0.157 0.000 2.742 565 L HA 0.447 4.787 4.340 -0.000 0.000 0.275 565 L C 1.188 178.023 176.870 -0.057 0.000 1.141 565 L CA 0.806 55.513 54.840 -0.223 0.000 0.987 565 L CB -0.680 41.217 42.059 -0.270 0.000 1.319 565 L HN 0.822 nan 8.230 nan 0.000 0.478 566 F N 0.192 119.948 119.950 -0.324 0.000 1.649 566 F HA -0.183 4.344 4.527 -0.000 0.000 0.336 566 F C 1.622 177.288 175.800 -0.223 0.000 1.191 566 F CA 0.295 58.169 58.000 -0.210 0.000 1.226 566 F CB -0.124 38.831 39.000 -0.075 0.000 1.913 566 F HN 0.342 nan 8.300 nan 0.000 0.149 567 E N 0.738 120.960 120.200 0.037 0.000 2.051 567 E HA -0.115 4.235 4.350 -0.000 0.000 0.192 567 E C 1.806 178.298 176.600 -0.181 0.000 0.991 567 E CA 1.800 58.170 56.400 -0.050 0.000 0.799 567 E CB -0.128 29.569 29.700 -0.004 0.000 0.748 567 E HN 0.367 nan 8.360 nan 0.000 0.449 568 V N 1.243 121.046 119.914 -0.186 0.000 2.667 568 V HA -0.162 3.958 4.120 -0.000 0.000 0.252 568 V C 2.032 177.929 176.094 -0.328 0.000 1.065 568 V CA 1.230 63.434 62.300 -0.160 0.000 1.083 568 V CB -0.193 31.532 31.823 -0.162 0.000 0.692 568 V HN 0.230 nan 8.190 nan 0.000 0.468 569 L N -2.526 118.324 121.223 -0.622 0.000 2.500 569 L HA 0.247 4.587 4.340 -0.000 0.000 0.219 569 L C 1.652 177.747 176.870 -1.292 0.000 1.057 569 L CA 0.911 55.102 54.840 -1.081 0.000 0.854 569 L CB 0.105 41.202 42.059 -1.603 0.000 1.078 569 L HN 0.285 nan 8.230 nan 0.000 0.480 570 F N -1.127 118.434 119.950 -0.649 0.000 2.817 570 F HA 0.359 4.886 4.527 -0.000 0.000 0.333 570 F C 1.243 176.513 175.800 -0.883 0.000 1.085 570 F CA -0.143 57.410 58.000 -0.746 0.000 1.170 570 F CB 0.482 38.911 39.000 -0.952 0.000 1.066 570 F HN -0.134 nan 8.300 nan 0.000 0.564 571 A N -0.008 122.425 122.820 -0.646 0.000 2.911 571 A HA 0.324 4.644 4.320 -0.000 0.000 0.304 571 A C 0.781 178.163 177.584 -0.337 0.000 1.144 571 A CA -0.177 51.538 52.037 -0.536 0.000 0.988 571 A CB -0.597 18.224 19.000 -0.298 0.000 1.141 571 A HN 0.074 nan 8.150 nan 0.000 0.552 572 N N 0.705 119.214 118.700 -0.318 0.000 2.459 572 N HA 0.025 4.765 4.740 -0.000 0.000 0.181 572 N C 1.466 176.873 175.510 -0.171 0.000 1.046 572 N CA 1.475 54.407 53.050 -0.196 0.000 0.904 572 N CB 0.119 38.512 38.487 -0.157 0.000 0.964 572 N HN 0.869 nan 8.380 nan 0.000 0.444 573 G N -1.024 107.638 108.800 -0.229 0.000 2.157 573 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.248 573 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.248 573 G C 0.924 175.713 174.900 -0.185 0.000 0.979 573 G CA 0.910 45.893 45.100 -0.195 0.000 0.650 573 G HN 0.472 nan 8.290 nan 0.000 0.529 574 S N -1.612 113.980 115.700 -0.179 0.000 2.748 574 S HA 0.263 4.733 4.470 -0.000 0.000 0.241 574 S C 2.271 176.790 174.600 -0.135 0.000 1.064 574 S CA 1.557 59.679 58.200 -0.129 0.000 0.892 574 S CB 0.092 63.261 63.200 -0.052 0.000 0.810 574 S HN 0.576 nan 8.310 nan 0.000 0.555 575 V N 2.686 122.511 119.914 -0.148 0.000 2.871 575 V HA 0.015 4.135 4.120 -0.000 0.000 0.256 575 V C 1.254 177.220 176.094 -0.212 0.000 1.082 575 V CA 1.732 63.975 62.300 -0.096 0.000 1.105 575 V CB -0.617 31.161 31.823 -0.076 0.000 0.713 575 V HN 0.452 nan 8.190 nan 0.000 0.473 576 D N -0.337 119.797 120.400 -0.443 0.000 2.347 576 D HA -0.031 4.609 4.640 -0.000 0.000 0.213 576 D C 2.043 178.214 176.300 -0.215 0.000 0.985 576 D CA 0.160 53.859 54.000 -0.502 0.000 0.879 576 D CB -0.309 40.169 40.800 -0.537 0.000 0.919 576 D HN 0.238 nan 8.370 nan 0.000 0.526 577 R N -0.044 120.268 120.500 -0.314 0.000 2.224 577 R HA -0.199 4.141 4.340 -0.000 0.000 0.255 577 R C -0.132 175.843 176.300 -0.542 0.000 1.130 577 R CA 1.203 56.982 56.100 -0.535 0.000 0.957 577 R CB -0.250 29.505 30.300 -0.910 0.000 0.907 577 R HN 0.153 nan 8.270 nan 0.000 0.446 578 F N 1.526 121.501 119.950 0.042 0.000 2.420 578 F HA 0.399 4.926 4.527 -0.000 0.000 0.342 578 F C -1.681 174.224 175.800 0.175 0.000 1.113 578 F CA -3.046 55.011 58.000 0.096 0.000 1.059 578 F CB 1.039 40.081 39.000 0.070 0.000 1.128 578 F HN 0.051 nan 8.300 nan 0.000 0.475 579 P HA 0.058 nan 4.420 nan 0.000 0.272 579 P C 0.121 177.530 177.300 0.181 0.000 1.240 579 P CA -0.175 63.054 63.100 0.215 0.000 0.791 579 P CB 1.002 32.787 31.700 0.142 0.000 0.978 580 A N 1.022 123.907 122.820 0.109 0.000 2.178 580 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 580 A C 1.635 179.184 177.584 -0.058 0.000 1.157 580 A CA 1.353 53.395 52.037 0.008 0.000 0.689 580 A CB -0.957 18.047 19.000 0.007 0.000 0.787 580 A HN 0.673 nan 8.150 nan 0.000 0.465 581 S N -1.101 114.598 115.700 -0.001 0.000 2.481 581 S HA 0.301 4.771 4.470 -0.000 0.000 0.267 581 S C 0.480 175.068 174.600 -0.020 0.000 1.174 581 S CA 0.543 58.734 58.200 -0.015 0.000 1.027 581 S CB 0.227 63.445 63.200 0.030 0.000 1.117 581 S HN 0.412 nan 8.310 nan 0.000 0.495 582 D N -1.449 118.972 120.400 0.036 0.000 2.983 582 D HA -0.123 4.517 4.640 -0.000 0.000 0.225 582 D C -0.372 175.930 176.300 0.004 0.000 1.174 582 D CA 1.023 55.086 54.000 0.106 0.000 0.831 582 D CB -1.291 39.658 40.800 0.247 0.000 1.104 582 D HN 0.291 nan 8.370 nan 0.000 0.421 583 V N 0.653 120.459 119.914 -0.181 0.000 2.771 583 V HA 0.194 4.314 4.120 -0.000 0.000 0.355 583 V C -0.071 175.922 176.094 -0.169 0.000 1.289 583 V CA -0.114 61.953 62.300 -0.388 0.000 1.231 583 V CB 0.159 31.520 31.823 -0.770 0.000 1.396 583 V HN 0.482 nan 8.190 nan 0.000 0.628 584 N N 1.741 120.414 118.700 -0.044 0.000 2.621 584 N HA -0.143 4.597 4.740 -0.000 0.000 0.291 584 N C -1.926 173.532 175.510 -0.087 0.000 1.580 584 N CA 0.772 53.792 53.050 -0.050 0.000 1.058 584 N CB 0.492 38.898 38.487 -0.134 0.000 0.975 584 N HN 0.238 nan 8.380 nan 0.000 0.477 585 P HA -0.173 nan 4.420 nan 0.000 0.217 585 P C -0.101 177.130 177.300 -0.115 0.000 1.162 585 P CA 1.534 64.588 63.100 -0.076 0.000 0.901 585 P CB 0.044 31.711 31.700 -0.054 0.000 0.793 586 D N -1.035 119.274 120.400 -0.153 0.000 2.371 586 D HA 0.054 4.694 4.640 -0.000 0.000 0.242 586 D C 0.076 176.200 176.300 -0.292 0.000 1.218 586 D CA 0.290 54.114 54.000 -0.292 0.000 0.945 586 D CB -0.131 40.397 40.800 -0.452 0.000 1.137 586 D HN 0.313 nan 8.370 nan 0.000 0.464 587 H N -1.771 117.173 119.070 -0.210 0.000 4.237 587 H HA -0.037 4.519 4.556 -0.000 0.000 0.290 587 H C -0.651 174.566 175.328 -0.185 0.000 0.689 587 H CA 0.508 56.415 56.048 -0.235 0.000 0.817 587 H CB -1.087 28.389 29.762 -0.477 0.000 1.217 587 H HN 0.620 nan 8.280 nan 0.000 0.320 588 A N 2.762 125.577 122.820 -0.009 0.000 2.242 588 A HA 0.601 4.921 4.320 -0.000 0.000 0.304 588 A C 0.635 178.215 177.584 -0.007 0.000 1.100 588 A CA -0.254 51.763 52.037 -0.033 0.000 0.860 588 A CB 1.102 20.079 19.000 -0.038 0.000 1.168 588 A HN 0.638 nan 8.150 nan 0.000 0.503 589 N N -0.554 118.135 118.700 -0.018 0.000 2.732 589 N HA 0.044 4.784 4.740 -0.000 0.000 0.247 589 N C 0.482 175.998 175.510 0.010 0.000 1.305 589 N CA -0.326 52.731 53.050 0.012 0.000 0.762 589 N CB 0.459 38.904 38.487 -0.069 0.000 1.361 589 N HN 0.811 nan 8.380 nan 0.000 0.545 590 H N 1.923 120.921 119.070 -0.121 0.000 2.422 590 H HA -0.063 4.493 4.556 -0.000 0.000 0.298 590 H C 0.083 175.266 175.328 -0.240 0.000 1.098 590 H CA 1.497 57.433 56.048 -0.186 0.000 1.315 590 H CB 0.119 29.750 29.762 -0.219 0.000 1.382 590 H HN 0.481 nan 8.280 nan 0.000 0.523 591 E N 0.489 120.345 120.200 -0.574 0.000 2.511 591 E HA 0.206 4.556 4.350 -0.000 0.000 0.196 591 E C 1.763 178.160 176.600 -0.339 0.000 1.066 591 E CA 0.601 56.675 56.400 -0.543 0.000 0.871 591 E CB 0.278 29.760 29.700 -0.362 0.000 0.863 591 E HN 0.665 nan 8.360 nan 0.000 0.520 592 A N 0.386 123.067 122.820 -0.232 0.000 2.259 592 A HA 0.472 4.792 4.320 -0.000 0.000 0.213 592 A C 2.073 179.568 177.584 -0.148 0.000 1.209 592 A CA 0.500 52.444 52.037 -0.156 0.000 0.910 592 A CB 0.177 19.107 19.000 -0.118 0.000 0.946 592 A HN 0.245 nan 8.150 nan 0.000 0.497 593 A N 0.108 122.828 122.820 -0.166 0.000 1.898 593 A HA 0.348 4.668 4.320 -0.000 0.000 0.214 593 A C 0.964 178.463 177.584 -0.141 0.000 1.183 593 A CA 0.452 52.417 52.037 -0.120 0.000 0.622 593 A CB -0.403 18.537 19.000 -0.101 0.000 0.824 593 A HN 0.424 nan 8.150 nan 0.000 0.444 594 L N -0.468 120.591 121.223 -0.273 0.000 2.375 594 L HA 0.527 4.867 4.340 -0.000 0.000 0.271 594 L C -0.541 176.097 176.870 -0.387 0.000 1.107 594 L CA -0.672 53.969 54.840 -0.333 0.000 0.806 594 L CB 0.163 41.917 42.059 -0.508 0.000 1.146 594 L HN 0.345 nan 8.230 nan 0.000 0.447 595 F N -0.168 119.753 119.950 -0.049 0.000 2.183 595 F HA -0.145 4.382 4.527 -0.000 0.000 0.318 595 F C 1.008 176.734 175.800 -0.124 0.000 1.277 595 F CA 0.286 58.200 58.000 -0.144 0.000 0.914 595 F CB -1.224 37.412 39.000 -0.607 0.000 4.133 595 F HN 0.660 nan 8.300 nan 0.000 0.140 596 G N -0.383 108.574 108.800 0.262 0.000 3.126 596 G HA2 0.388 4.348 3.960 -0.000 0.000 0.224 596 G HA3 0.388 4.348 3.960 -0.000 0.000 0.224 596 G C 0.246 175.337 174.900 0.318 0.000 1.142 596 G CA 0.440 45.695 45.100 0.258 0.000 0.759 596 G HN 0.471 nan 8.290 nan 0.000 0.550 597 F N -1.181 118.878 119.950 0.182 0.000 2.484 597 F HA 0.709 5.236 4.527 -0.000 0.000 0.260 597 F C -0.238 175.702 175.800 0.233 0.000 0.995 597 F CA -3.185 54.915 58.000 0.168 0.000 1.075 597 F CB 0.054 39.122 39.000 0.113 0.000 2.044 597 F HN -0.132 nan 8.300 nan 0.000 0.607 598 Y N 2.145 122.582 120.300 0.228 0.000 2.541 598 Y HA 0.452 5.002 4.550 -0.000 0.000 0.350 598 Y C -2.505 173.396 175.900 0.002 0.000 1.075 598 Y CA -4.134 53.978 58.100 0.021 0.000 1.302 598 Y CB 0.315 38.785 38.460 0.016 0.000 1.094 598 Y HN 0.128 nan 8.280 nan 0.000 0.579 599 P HA -0.289 nan 4.420 nan 0.000 0.214 599 P C 1.572 178.645 177.300 -0.379 0.000 1.172 599 P CA 2.719 65.779 63.100 -0.066 0.000 0.925 599 P CB 0.309 31.934 31.700 -0.125 0.000 0.793 600 Q N 0.456 119.802 119.800 -0.757 0.000 2.029 600 Q HA -0.269 4.071 4.340 -0.000 0.000 0.209 600 Q C 2.142 177.489 176.000 -1.088 0.000 0.999 600 Q CA 1.947 56.892 55.803 -1.429 0.000 0.857 600 Q CB -1.428 26.212 28.738 -1.829 0.000 0.926 600 Q HN 0.314 nan 8.270 nan 0.000 0.415 601 K N 0.771 120.159 120.400 -1.686 0.000 2.020 601 K HA -0.153 4.167 4.320 -0.000 0.000 0.212 601 K C 2.297 178.484 176.600 -0.689 0.000 1.050 601 K CA 1.660 56.783 56.287 -1.940 0.000 0.929 601 K CB -0.632 30.424 32.500 -2.407 0.000 0.714 601 K HN 0.363 nan 8.250 nan 0.000 0.443 602 G N 1.105 109.755 108.800 -0.251 0.000 2.480 602 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.216 602 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.216 602 G C 1.449 176.451 174.900 0.169 0.000 1.200 602 G CA 1.148 46.361 45.100 0.189 0.000 0.782 602 G HN 0.209 nan 8.290 nan 0.000 0.554 603 L N -0.736 120.565 121.223 0.131 0.000 2.012 603 L HA -0.003 4.337 4.340 -0.000 0.000 0.210 603 L C 2.508 179.549 176.870 0.285 0.000 1.073 603 L CA 1.347 56.377 54.840 0.318 0.000 0.748 603 L CB -0.606 41.662 42.059 0.348 0.000 0.891 603 L HN 0.217 nan 8.230 nan 0.000 0.431 604 F N 0.676 120.726 119.950 0.167 0.000 2.043 604 F HA -0.264 4.263 4.527 -0.000 0.000 0.297 604 F C 2.649 178.606 175.800 0.262 0.000 1.121 604 F CA 1.837 60.033 58.000 0.327 0.000 1.199 604 F CB -0.241 39.103 39.000 0.572 0.000 0.968 604 F HN 0.061 nan 8.300 nan 0.000 0.478 605 E N 0.243 120.597 120.200 0.256 0.000 2.160 605 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 605 E C 2.130 178.793 176.600 0.105 0.000 0.991 605 E CA 1.331 57.838 56.400 0.179 0.000 0.810 605 E CB -0.466 29.404 29.700 0.283 0.000 0.742 605 E HN 0.666 nan 8.360 nan 0.000 0.466 606 E N 0.023 120.322 120.200 0.166 0.000 2.001 606 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 606 E C 2.163 178.856 176.600 0.155 0.000 0.994 606 E CA 0.809 57.332 56.400 0.205 0.000 0.815 606 E CB -0.399 29.520 29.700 0.364 0.000 0.770 606 E HN 0.220 nan 8.360 nan 0.000 0.453 607 Y N 1.075 121.252 120.300 -0.204 0.000 2.219 607 Y HA -0.308 4.242 4.550 -0.000 0.000 0.283 607 Y C 1.874 177.636 175.900 -0.230 0.000 1.191 607 Y CA 1.848 59.602 58.100 -0.577 0.000 1.199 607 Y CB -0.654 36.851 38.460 -1.592 0.000 0.972 607 Y HN 0.179 nan 8.280 nan 0.000 0.527 608 A N 0.641 123.150 122.820 -0.518 0.000 1.972 608 A HA -0.054 4.266 4.320 -0.000 0.000 0.219 608 A C 2.420 179.821 177.584 -0.305 0.000 1.169 608 A CA 1.598 53.302 52.037 -0.555 0.000 0.635 608 A CB -1.412 17.364 19.000 -0.374 0.000 0.810 608 A HN 0.690 nan 8.150 nan 0.000 0.446 609 A N -1.456 121.261 122.820 -0.172 0.000 2.121 609 A HA 0.082 4.402 4.320 -0.000 0.000 0.218 609 A C 1.776 179.242 177.584 -0.198 0.000 1.154 609 A CA 1.070 53.021 52.037 -0.144 0.000 0.679 609 A CB -0.706 18.201 19.000 -0.154 0.000 0.795 609 A HN 0.460 nan 8.150 nan 0.000 0.458 610 F N 0.348 120.112 119.950 -0.309 0.000 2.146 610 F HA 0.074 4.601 4.527 -0.000 0.000 0.298 610 F C 2.052 177.715 175.800 -0.227 0.000 1.096 610 F CA 0.853 58.667 58.000 -0.311 0.000 1.275 610 F CB -0.586 38.163 39.000 -0.419 0.000 1.008 610 F HN 0.289 nan 8.300 nan 0.000 0.480 611 G N -1.439 107.306 108.800 -0.091 0.000 2.641 611 G HA2 0.497 4.457 3.960 -0.000 0.000 0.239 611 G HA3 0.497 4.457 3.960 -0.000 0.000 0.239 611 G C -0.632 174.333 174.900 0.108 0.000 1.402 611 G CA -0.713 44.392 45.100 0.010 0.000 1.046 611 G HN 0.126 nan 8.290 nan 0.000 0.565 612 R N -1.172 119.378 120.500 0.083 0.000 2.022 612 R HA -0.098 4.241 4.340 -0.000 0.000 0.372 612 R C 0.662 176.988 176.300 0.043 0.000 1.161 612 R CA 0.602 56.747 56.100 0.074 0.000 0.928 612 R CB -1.584 28.738 30.300 0.036 0.000 2.817 612 R HN 2.323 nan 8.270 nan 0.000 0.489 613 G N 1.635 110.456 108.800 0.036 0.000 3.110 613 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.238 613 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.238 613 G C -0.768 174.084 174.900 -0.080 0.000 1.647 613 G CA 0.033 45.052 45.100 -0.136 0.000 1.146 613 G HN 0.854 nan 8.290 nan 0.000 0.545 614 H N 2.749 121.873 119.070 0.090 0.000 3.299 614 H HA 0.382 4.938 4.556 -0.000 0.000 0.225 614 H C 1.745 177.021 175.328 -0.087 0.000 0.834 614 H CA 1.164 57.235 56.048 0.039 0.000 1.370 614 H CB -0.786 29.022 29.762 0.076 0.000 1.526 614 H HN 1.943 nan 8.280 nan 0.000 0.504 615 G N 2.837 111.358 108.800 -0.465 0.000 2.616 615 G HA2 -0.480 3.480 3.960 -0.000 0.000 0.361 615 G HA3 -0.480 3.480 3.960 -0.000 0.000 0.361 615 G C 0.446 175.143 174.900 -0.337 0.000 1.361 615 G CA 0.578 45.240 45.100 -0.731 0.000 0.969 615 G HN 1.034 nan 8.290 nan 0.000 0.528 616 H N 0.014 118.985 119.070 -0.166 0.000 2.814 616 H HA -0.174 4.382 4.556 -0.000 0.000 0.313 616 H C 0.482 175.629 175.328 -0.301 0.000 1.027 616 H CA 1.375 57.121 56.048 -0.502 0.000 1.180 616 H CB -1.838 27.583 29.762 -0.569 0.000 1.366 616 H HN 0.623 nan 8.280 nan 0.000 0.364 617 D N 1.122 121.548 120.400 0.044 0.000 2.402 617 D HA 0.145 4.785 4.640 -0.000 0.000 0.268 617 D C 0.735 177.134 176.300 0.165 0.000 1.294 617 D CA 0.279 54.345 54.000 0.110 0.000 0.945 617 D CB 0.434 41.349 40.800 0.192 0.000 1.112 617 D HN 0.248 nan 8.370 nan 0.000 0.517 618 L N 1.987 123.276 121.223 0.109 0.000 2.379 618 L HA 0.554 4.894 4.340 -0.000 0.000 0.269 618 L C 0.920 177.995 176.870 0.342 0.000 1.084 618 L CA -1.015 54.001 54.840 0.294 0.000 0.802 618 L CB 1.124 43.306 42.059 0.205 0.000 1.175 618 L HN 0.381 nan 8.230 nan 0.000 0.448 619 A N 3.281 126.371 122.820 0.449 0.000 2.280 619 A HA 0.559 4.879 4.320 -0.000 0.000 0.268 619 A C -2.358 175.362 177.584 0.228 0.000 1.111 619 A CA -1.272 50.816 52.037 0.085 0.000 0.814 619 A CB -0.456 18.270 19.000 -0.457 0.000 1.093 619 A HN 0.439 nan 8.150 nan 0.000 0.498 620 P HA 0.100 nan 4.420 nan 0.000 0.271 620 P C 0.564 178.031 177.300 0.280 0.000 1.216 620 P CA -0.098 63.129 63.100 0.211 0.000 0.771 620 P CB 0.214 31.979 31.700 0.107 0.000 0.864 621 F N 3.922 124.091 119.950 0.365 0.000 2.039 621 F HA -0.371 4.156 4.527 -0.000 0.000 0.296 621 F C 1.708 177.535 175.800 0.045 0.000 1.119 621 F CA 2.079 60.260 58.000 0.300 0.000 1.211 621 F CB -0.521 38.639 39.000 0.268 0.000 0.956 621 F HN 0.269 nan 8.300 nan 0.000 0.496 622 D N -0.265 120.378 120.400 0.405 0.000 2.172 622 D HA -0.198 4.442 4.640 -0.000 0.000 0.196 622 D C 2.280 178.535 176.300 -0.074 0.000 0.999 622 D CA 2.039 56.173 54.000 0.223 0.000 0.856 622 D CB -0.769 40.189 40.800 0.262 0.000 0.934 622 D HN 0.390 nan 8.370 nan 0.000 0.453 623 T N -0.007 114.443 114.554 -0.174 0.000 2.684 623 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 623 T C 1.739 176.152 174.700 -0.478 0.000 1.036 623 T CA 0.918 62.837 62.100 -0.301 0.000 1.148 623 T CB -0.529 68.116 68.868 -0.372 0.000 0.863 623 T HN 0.308 nan 8.240 nan 0.000 0.436 624 Y N 0.251 120.143 120.300 -0.680 0.000 2.465 624 Y HA -0.164 4.386 4.550 -0.000 0.000 0.289 624 Y C 2.333 177.703 175.900 -0.884 0.000 1.150 624 Y CA 1.180 58.637 58.100 -1.072 0.000 1.293 624 Y CB -0.332 36.709 38.460 -2.364 0.000 0.977 624 Y HN 0.493 nan 8.280 nan 0.000 0.556 625 H N -1.418 117.360 119.070 -0.486 0.000 2.525 625 H HA -0.027 4.529 4.556 -0.000 0.000 0.275 625 H C 1.747 177.008 175.328 -0.111 0.000 0.984 625 H CA 0.391 56.287 56.048 -0.253 0.000 1.264 625 H CB 0.440 30.090 29.762 -0.186 0.000 1.432 625 H HN 0.164 nan 8.280 nan 0.000 0.549 626 E N 0.469 120.675 120.200 0.009 0.000 2.442 626 E HA 0.045 4.395 4.350 -0.000 0.000 0.195 626 E C -0.056 176.543 176.600 -0.001 0.000 1.030 626 E CA 0.206 56.619 56.400 0.022 0.000 0.869 626 E CB 0.790 30.495 29.700 0.010 0.000 0.857 626 E HN 0.143 nan 8.360 nan 0.000 0.505 627 V N 0.304 120.193 119.914 -0.041 0.000 3.046 627 V HA 0.368 4.488 4.120 -0.000 0.000 0.316 627 V C -0.024 176.078 176.094 0.014 0.000 1.104 627 V CA -0.946 61.340 62.300 -0.023 0.000 1.006 627 V CB 1.963 33.747 31.823 -0.064 0.000 1.058 627 V HN -0.145 nan 8.190 nan 0.000 0.440 628 R N 2.020 122.542 120.500 0.036 0.000 3.657 628 R HA 0.563 4.902 4.340 -0.000 0.000 0.220 628 R C 0.538 176.900 176.300 0.103 0.000 1.548 628 R CA 0.680 56.824 56.100 0.074 0.000 1.465 628 R CB 0.216 30.550 30.300 0.057 0.000 1.330 628 R HN 1.243 nan 8.270 nan 0.000 0.707 629 G N 0.792 109.679 108.800 0.146 0.000 2.825 629 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.684 629 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.684 629 G C -0.923 174.017 174.900 0.067 0.000 1.528 629 G CA -0.902 44.291 45.100 0.154 0.000 0.963 629 G HN 0.370 nan 8.290 nan 0.000 0.577 630 L N 1.404 122.708 121.223 0.136 0.000 2.470 630 L HA 0.407 4.747 4.340 -0.000 0.000 0.268 630 L C -0.294 176.664 176.870 0.147 0.000 0.964 630 L CA -1.310 53.600 54.840 0.117 0.000 0.839 630 L CB 2.325 44.475 42.059 0.151 0.000 1.276 630 L HN 0.799 nan 8.230 nan 0.000 0.403 631 H N 1.214 120.269 119.070 -0.025 0.000 2.683 631 H HA 0.173 4.729 4.556 -0.000 0.000 0.339 631 H C -0.621 174.685 175.328 -0.036 0.000 1.081 631 H CA -0.709 55.258 56.048 -0.134 0.000 1.432 631 H CB 0.339 29.921 29.762 -0.300 0.000 1.462 631 H HN 0.532 nan 8.280 nan 0.000 0.557 632 W N 2.341 123.702 121.300 0.103 0.000 2.449 632 W HA 0.589 5.249 4.660 -0.000 0.000 0.331 632 W C -2.856 173.665 176.519 0.004 0.000 1.119 632 W CA -2.120 55.273 57.345 0.080 0.000 1.240 632 W CB 1.335 30.858 29.460 0.105 0.000 1.251 632 W HN 0.581 nan 8.180 nan 0.000 0.576 633 P HA -0.085 nan 4.420 nan 0.000 0.499 633 P C -1.329 176.139 177.300 0.281 0.000 0.810 633 P CA -0.517 62.800 63.100 0.361 0.000 1.264 633 P CB -0.928 30.937 31.700 0.274 0.000 2.738 634 V N 2.050 122.130 119.914 0.277 0.000 2.339 634 V HA 0.327 4.447 4.120 -0.000 0.000 0.261 634 V C 0.715 176.906 176.094 0.161 0.000 1.058 634 V CA -0.394 62.025 62.300 0.197 0.000 0.897 634 V CB 1.461 33.396 31.823 0.186 0.000 1.052 634 V HN 0.193 nan 8.190 nan 0.000 0.480 635 V N 4.702 124.702 119.914 0.143 0.000 2.347 635 V HA 0.415 4.535 4.120 -0.000 0.000 0.280 635 V C 0.632 176.761 176.094 0.060 0.000 1.021 635 V CA -0.472 61.894 62.300 0.110 0.000 0.847 635 V CB 0.865 32.755 31.823 0.112 0.000 0.990 635 V HN 1.015 nan 8.190 nan 0.000 0.444 636 E N 3.650 123.876 120.200 0.043 0.000 2.513 636 E HA -0.242 4.108 4.350 -0.000 0.000 0.257 636 E C 1.159 177.771 176.600 0.020 0.000 1.098 636 E CA 0.566 56.980 56.400 0.024 0.000 0.752 636 E CB -1.248 28.459 29.700 0.012 0.000 1.324 636 E HN 1.507 nan 8.360 nan 0.000 0.403 637 G N 0.302 109.113 108.800 0.019 0.000 2.168 637 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.257 637 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.257 637 G C -0.094 174.812 174.900 0.010 0.000 0.997 637 G CA 0.888 45.986 45.100 -0.004 0.000 0.708 637 G HN 0.351 nan 8.290 nan 0.000 0.520 638 E N 0.828 121.051 120.200 0.038 0.000 2.165 638 E HA 0.331 4.681 4.350 -0.000 0.000 0.266 638 E C 0.458 177.105 176.600 0.078 0.000 0.889 638 E CA -0.562 55.869 56.400 0.052 0.000 0.756 638 E CB 1.153 30.884 29.700 0.052 0.000 1.131 638 E HN 0.760 nan 8.360 nan 0.000 0.411 639 E N 1.521 121.771 120.200 0.083 0.000 2.392 639 E HA 0.285 4.635 4.350 -0.000 0.000 0.256 639 E C -0.612 176.011 176.600 0.039 0.000 1.145 639 E CA -0.355 56.106 56.400 0.101 0.000 0.929 639 E CB 0.627 30.432 29.700 0.174 0.000 0.998 639 E HN 0.061 nan 8.360 nan 0.000 0.442 640 T N 1.741 116.279 114.554 -0.025 0.000 2.809 640 T HA 0.245 4.595 4.350 -0.000 0.000 0.296 640 T C 0.491 174.942 174.700 -0.415 0.000 1.015 640 T CA -0.694 61.338 62.100 -0.112 0.000 0.954 640 T CB 1.159 70.015 68.868 -0.020 0.000 0.950 640 T HN 0.436 nan 8.240 nan 0.000 0.450 641 R N 2.088 122.261 120.500 -0.544 0.000 2.052 641 R HA 0.105 4.445 4.340 -0.000 0.000 0.224 641 R C 0.332 176.039 176.300 -0.988 0.000 1.165 641 R CA 0.726 56.177 56.100 -1.081 0.000 0.939 641 R CB 0.211 29.635 30.300 -1.459 0.000 0.834 641 R HN 0.517 nan 8.270 nan 0.000 0.435 642 W N 2.480 123.553 121.300 -0.378 0.000 2.335 642 W HA 0.373 5.033 4.660 -0.000 0.000 0.307 642 W C 0.071 176.478 176.519 -0.186 0.000 1.117 642 W CA -0.702 56.454 57.345 -0.315 0.000 1.228 642 W CB 0.587 29.789 29.460 -0.430 0.000 1.240 642 W HN 0.076 nan 8.180 nan 0.000 0.468 643 R N 1.953 122.364 120.500 -0.148 0.000 2.500 643 R HA 0.228 4.568 4.340 -0.000 0.000 0.275 643 R C -0.518 175.588 176.300 -0.323 0.000 1.051 643 R CA -0.433 55.439 56.100 -0.380 0.000 1.088 643 R CB 0.621 30.381 30.300 -0.900 0.000 1.063 643 R HN 0.415 nan 8.270 nan 0.000 0.511 644 Y N -1.673 118.688 120.300 0.101 0.000 4.569 644 Y HA -0.268 4.282 4.550 -0.000 0.000 0.237 644 Y C -0.264 175.645 175.900 0.015 0.000 1.090 644 Y CA 0.191 58.288 58.100 -0.004 0.000 2.052 644 Y CB -1.592 36.740 38.460 -0.214 0.000 1.621 644 Y HN 0.498 nan 8.280 nan 0.000 0.682 645 R N 1.446 122.094 120.500 0.246 0.000 2.476 645 R HA 0.328 4.668 4.340 -0.000 0.000 0.305 645 R C 0.127 176.529 176.300 0.170 0.000 0.965 645 R CA -0.789 55.434 56.100 0.206 0.000 0.867 645 R CB 1.680 32.184 30.300 0.339 0.000 1.176 645 R HN 0.488 nan 8.270 nan 0.000 0.447 646 E N 1.123 121.371 120.200 0.080 0.000 2.465 646 E HA 0.112 4.462 4.350 -0.000 0.000 0.260 646 E C 0.745 177.307 176.600 -0.063 0.000 0.980 646 E CA 1.234 57.650 56.400 0.028 0.000 0.927 646 E CB 0.344 30.046 29.700 0.004 0.000 0.934 646 E HN 0.781 nan 8.360 nan 0.000 0.459 647 G N 3.533 112.292 108.800 -0.069 0.000 2.358 647 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.224 647 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.224 647 G C 0.489 175.293 174.900 -0.159 0.000 1.073 647 G CA 0.246 45.232 45.100 -0.190 0.000 0.635 647 G HN 0.532 nan 8.290 nan 0.000 0.509 648 F N 1.545 121.550 119.950 0.093 0.000 2.343 648 F HA 0.393 4.920 4.527 -0.000 0.000 0.286 648 F C 1.212 177.087 175.800 0.126 0.000 1.057 648 F CA 0.407 58.496 58.000 0.147 0.000 1.365 648 F CB 0.136 39.279 39.000 0.237 0.000 1.114 648 F HN 0.124 nan 8.300 nan 0.000 0.545 649 D N 1.371 121.961 120.400 0.316 0.000 2.233 649 D HA 0.192 4.832 4.640 -0.000 0.000 0.240 649 D C -1.918 174.507 176.300 0.209 0.000 1.074 649 D CA -2.452 51.710 54.000 0.270 0.000 0.838 649 D CB 1.996 42.987 40.800 0.318 0.000 1.124 649 D HN -0.036 nan 8.370 nan 0.000 0.475 650 P HA -0.060 nan 4.420 nan 0.000 0.236 650 P C 0.640 177.847 177.300 -0.155 0.000 1.177 650 P CA 0.412 63.511 63.100 -0.000 0.000 0.773 650 P CB 0.125 31.797 31.700 -0.047 0.000 0.878 651 Y N -0.159 120.116 120.300 -0.043 0.000 2.502 651 Y HA 0.077 4.626 4.550 -0.000 0.000 0.295 651 Y C 1.099 176.882 175.900 -0.194 0.000 1.193 651 Y CA 0.107 58.051 58.100 -0.260 0.000 1.295 651 Y CB -0.125 37.921 38.460 -0.689 0.000 1.059 651 Y HN -0.270 nan 8.280 nan 0.000 0.514 652 V N 1.556 121.532 119.914 0.102 0.000 2.350 652 V HA 0.159 4.279 4.120 -0.000 0.000 0.276 652 V C -0.031 176.080 176.094 0.027 0.000 1.028 652 V CA -1.493 60.885 62.300 0.130 0.000 0.860 652 V CB 1.106 33.046 31.823 0.194 0.000 0.990 652 V HN 0.092 nan 8.190 nan 0.000 0.453 653 K N 6.071 126.476 120.400 0.009 0.000 2.401 653 K HA 0.169 4.489 4.320 -0.000 0.000 0.278 653 K C -1.564 175.031 176.600 -0.007 0.000 1.018 653 K CA -1.128 55.148 56.287 -0.018 0.000 0.981 653 K CB 0.519 33.008 32.500 -0.018 0.000 0.933 653 K HN 0.323 nan 8.250 nan 0.000 0.477 654 P HA -0.263 nan 4.420 nan 0.000 0.224 654 P C 0.410 177.705 177.300 -0.009 0.000 1.153 654 P CA 1.477 64.566 63.100 -0.019 0.000 0.947 654 P CB 0.019 31.704 31.700 -0.025 0.000 0.790 655 G N -1.047 107.750 108.800 -0.006 0.000 2.915 655 G HA2 0.171 4.131 3.960 -0.000 0.000 0.298 655 G HA3 0.171 4.131 3.960 -0.000 0.000 0.298 655 G C 0.249 175.156 174.900 0.012 0.000 0.837 655 G CA -0.000 45.100 45.100 0.001 0.000 1.752 655 G HN 0.235 nan 8.290 nan 0.000 0.526 656 E N 0.174 120.386 120.200 0.021 0.000 3.575 656 E HA 0.343 4.693 4.350 -0.000 0.000 0.263 656 E C 1.611 178.247 176.600 0.060 0.000 1.230 656 E CA 0.574 56.999 56.400 0.041 0.000 1.875 656 E CB 0.276 30.004 29.700 0.047 0.000 1.961 656 E HN 0.652 nan 8.360 nan 0.000 0.904 657 G N 0.973 109.798 108.800 0.042 0.000 4.731 657 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.266 657 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.266 657 G C -0.346 174.552 174.900 -0.003 0.000 1.635 657 G CA 0.123 45.246 45.100 0.039 0.000 1.229 657 G HN 0.184 nan 8.290 nan 0.000 0.663 658 L N 0.264 121.441 121.223 -0.078 0.000 2.371 658 L HA 0.931 5.271 4.340 -0.000 0.000 0.262 658 L C -0.101 176.616 176.870 -0.254 0.000 1.006 658 L CA -0.740 53.921 54.840 -0.297 0.000 0.818 658 L CB 2.408 44.005 42.059 -0.771 0.000 1.354 658 L HN 0.751 nan 8.230 nan 0.000 0.415 659 R N 2.317 122.620 120.500 -0.329 0.000 3.154 659 R HA 0.237 4.577 4.340 -0.000 0.000 0.260 659 R C -1.771 174.373 176.300 -0.260 0.000 1.515 659 R CA -0.385 55.612 56.100 -0.170 0.000 0.997 659 R CB 0.065 30.418 30.300 0.088 0.000 1.437 659 R HN 0.330 nan 8.270 nan 0.000 0.398 660 F N 5.947 125.749 119.950 -0.247 0.000 2.670 660 F HA 0.084 4.611 4.527 -0.000 0.000 0.345 660 F C 0.988 176.536 175.800 -0.420 0.000 1.303 660 F CA -0.174 57.407 58.000 -0.698 0.000 1.172 660 F CB -0.411 38.331 39.000 -0.429 0.000 1.602 660 F HN 0.507 nan 8.300 nan 0.000 0.679 661 Y N -1.155 119.116 120.300 -0.047 0.000 2.751 661 Y HA 0.140 4.690 4.550 -0.000 0.000 0.310 661 Y C 1.638 177.580 175.900 0.070 0.000 1.176 661 Y CA -0.146 57.987 58.100 0.056 0.000 1.360 661 Y CB -1.229 37.305 38.460 0.124 0.000 0.999 661 Y HN 0.377 nan 8.280 nan 0.000 0.532 662 G N 0.504 109.313 108.800 0.016 0.000 2.408 662 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.215 662 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.215 662 G C 0.827 175.789 174.900 0.103 0.000 1.156 662 G CA -0.153 45.008 45.100 0.102 0.000 0.793 662 G HN 0.070 nan 8.290 nan 0.000 0.535 663 K N 0.619 121.055 120.400 0.061 0.000 2.185 663 K HA 0.248 4.567 4.320 -0.000 0.000 0.271 663 K C -1.615 175.032 176.600 0.078 0.000 1.013 663 K CA -1.993 54.324 56.287 0.050 0.000 0.943 663 K CB 1.802 34.307 32.500 0.009 0.000 0.998 663 K HN -0.097 nan 8.250 nan 0.000 0.468 664 P HA -0.157 nan 4.420 nan 0.000 0.214 664 P C 0.611 177.946 177.300 0.059 0.000 1.162 664 P CA 1.245 64.385 63.100 0.066 0.000 0.879 664 P CB 0.154 31.882 31.700 0.047 0.000 0.786 665 D N -1.112 119.312 120.400 0.039 0.000 2.348 665 D HA -0.018 4.622 4.640 -0.000 0.000 0.216 665 D C 1.237 177.565 176.300 0.046 0.000 0.970 665 D CA 1.073 55.092 54.000 0.031 0.000 0.889 665 D CB -1.108 39.699 40.800 0.012 0.000 0.912 665 D HN 0.269 nan 8.370 nan 0.000 0.524 666 G N 0.798 109.638 108.800 0.068 0.000 2.246 666 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.273 666 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.273 666 G C -0.153 174.830 174.900 0.137 0.000 1.055 666 G CA -0.052 45.107 45.100 0.098 0.000 0.851 666 G HN 0.463 nan 8.290 nan 0.000 0.500 667 R N -0.470 120.089 120.500 0.099 0.000 2.561 667 R HA 0.696 5.036 4.340 -0.000 0.000 0.297 667 R C 0.204 176.462 176.300 -0.070 0.000 0.969 667 R CA -0.197 55.952 56.100 0.082 0.000 0.879 667 R CB 1.901 32.189 30.300 -0.020 0.000 1.178 667 R HN 0.533 nan 8.270 nan 0.000 0.445 668 A N 2.713 125.401 122.820 -0.220 0.000 2.354 668 A HA 0.409 4.729 4.320 -0.000 0.000 0.269 668 A C 0.162 177.418 177.584 -0.547 0.000 1.109 668 A CA -0.510 51.114 52.037 -0.688 0.000 0.800 668 A CB 0.731 18.915 19.000 -1.359 0.000 1.045 668 A HN 0.448 nan 8.150 nan 0.000 0.489 669 V N 3.234 122.814 119.914 -0.557 0.000 2.583 669 V HA 0.212 4.332 4.120 -0.000 0.000 0.287 669 V C 0.215 175.993 176.094 -0.527 0.000 1.051 669 V CA 0.146 62.170 62.300 -0.461 0.000 1.010 669 V CB 0.901 32.525 31.823 -0.331 0.000 0.988 669 V HN 0.660 nan 8.190 nan 0.000 0.478 670 I N 5.127 125.316 120.570 -0.636 0.000 2.355 670 I HA 0.320 4.490 4.170 -0.000 0.000 0.288 670 I C -0.655 175.157 176.117 -0.509 0.000 0.999 670 I CA -0.593 60.285 61.300 -0.704 0.000 1.163 670 I CB 1.659 38.893 38.000 -1.276 0.000 1.316 670 I HN 0.401 nan 8.210 nan 0.000 0.454 671 L N 6.037 127.048 121.223 -0.354 0.000 2.292 671 L HA 0.554 4.894 4.340 -0.000 0.000 0.284 671 L C 0.498 177.366 176.870 -0.003 0.000 1.065 671 L CA 0.074 54.746 54.840 -0.280 0.000 0.806 671 L CB 1.461 43.188 42.059 -0.552 0.000 1.175 671 L HN 0.589 nan 8.230 nan 0.000 0.431 672 G N 4.495 113.357 108.800 0.103 0.000 2.350 672 G HA2 0.529 4.489 3.960 -0.000 0.000 0.306 672 G HA3 0.529 4.489 3.960 -0.000 0.000 0.306 672 G C -1.215 173.597 174.900 -0.147 0.000 1.094 672 G CA -0.199 45.043 45.100 0.236 0.000 0.953 672 G HN 0.483 nan 8.290 nan 0.000 0.420 673 V N 4.970 124.732 119.914 -0.254 0.000 2.876 673 V HA 0.717 4.837 4.120 -0.000 0.000 0.312 673 V C -2.200 173.664 176.094 -0.383 0.000 1.085 673 V CA -1.694 60.247 62.300 -0.599 0.000 0.945 673 V CB 3.492 34.668 31.823 -1.078 0.000 1.017 673 V HN 0.701 nan 8.190 nan 0.000 0.428 674 P HA 0.279 nan 4.420 nan 0.000 0.296 674 P C -1.331 176.112 177.300 0.239 0.000 1.301 674 P CA -0.514 62.616 63.100 0.049 0.000 0.862 674 P CB 1.029 32.772 31.700 0.071 0.000 1.046 675 Y N 2.067 122.511 120.300 0.241 0.000 2.683 675 Y HA 0.149 4.699 4.550 -0.000 0.000 0.340 675 Y C 0.067 176.162 175.900 0.325 0.000 1.245 675 Y CA 0.835 59.074 58.100 0.232 0.000 1.485 675 Y CB 0.502 39.082 38.460 0.201 0.000 1.328 675 Y HN 0.468 nan 8.280 nan 0.000 0.603 676 E N 6.069 125.701 120.200 -0.947 0.000 2.446 676 E HA 0.501 4.851 4.350 -0.000 0.000 0.276 676 E C -2.792 173.218 176.600 -0.983 0.000 0.969 676 E CA -2.404 53.561 56.400 -0.724 0.000 0.800 676 E CB 2.529 32.108 29.700 -0.201 0.000 1.341 676 E HN 0.431 nan 8.360 nan 0.000 0.460 677 P HA 0.356 nan 4.420 nan 0.000 0.285 677 P C -2.736 174.686 177.300 0.205 0.000 1.280 677 P CA -1.822 61.300 63.100 0.037 0.000 0.862 677 P CB 0.812 32.623 31.700 0.185 0.000 1.153 678 P HA 0.039 nan 4.420 nan 0.000 0.272 678 P C 0.709 177.954 177.300 -0.091 0.000 1.230 678 P CA -0.001 63.203 63.100 0.174 0.000 0.788 678 P CB 0.371 32.211 31.700 0.234 0.000 0.949 679 A N 1.695 124.353 122.820 -0.270 0.000 1.883 679 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 679 A C 1.043 178.395 177.584 -0.388 0.000 1.186 679 A CA 1.565 53.166 52.037 -0.725 0.000 0.624 679 A CB -0.708 18.055 19.000 -0.396 0.000 0.822 679 A HN 0.719 nan 8.150 nan 0.000 0.444 680 E N -0.378 119.730 120.200 -0.154 0.000 2.241 680 E HA 0.529 4.879 4.350 -0.000 0.000 0.263 680 E C -1.305 175.266 176.600 -0.048 0.000 0.882 680 E CA -0.422 55.910 56.400 -0.113 0.000 0.769 680 E CB 1.445 31.073 29.700 -0.120 0.000 1.185 680 E HN 0.258 nan 8.360 nan 0.000 0.415 681 S N 4.006 119.626 115.700 -0.135 0.000 2.621 681 S HA 0.582 5.052 4.470 -0.000 0.000 0.302 681 S C -2.536 171.797 174.600 -0.444 0.000 1.093 681 S CA -1.333 56.656 58.200 -0.351 0.000 1.017 681 S CB 1.550 64.671 63.200 -0.133 0.000 1.077 681 S HN 0.508 nan 8.310 nan 0.000 0.517 682 P HA 0.186 nan 4.420 nan 0.000 0.268 682 P C -0.670 176.489 177.300 -0.234 0.000 1.205 682 P CA 0.069 62.897 63.100 -0.454 0.000 0.771 682 P CB 0.497 31.818 31.700 -0.631 0.000 0.858 683 D N 1.154 121.499 120.400 -0.092 0.000 2.577 683 D HA 0.106 4.746 4.640 -0.000 0.000 0.248 683 D C 0.946 177.216 176.300 -0.049 0.000 1.181 683 D CA -0.414 53.567 54.000 -0.032 0.000 1.083 683 D CB 0.865 41.709 40.800 0.072 0.000 1.198 683 D HN 0.422 nan 8.370 nan 0.000 0.626 684 E N 0.107 120.290 120.200 -0.029 0.000 2.166 684 E HA -0.076 4.274 4.350 -0.000 0.000 0.192 684 E C 1.535 178.080 176.600 -0.093 0.000 0.967 684 E CA 0.263 56.624 56.400 -0.063 0.000 0.840 684 E CB 0.445 30.116 29.700 -0.049 0.000 0.795 684 E HN 0.360 nan 8.360 nan 0.000 0.470 685 E N -0.486 119.669 120.200 -0.076 0.000 2.046 685 E HA -0.082 4.268 4.350 -0.000 0.000 0.190 685 E C -0.319 176.011 176.600 -0.451 0.000 0.982 685 E CA 0.624 56.862 56.400 -0.270 0.000 0.800 685 E CB 0.159 29.692 29.700 -0.279 0.000 0.756 685 E HN 0.085 nan 8.360 nan 0.000 0.449 686 F N 0.174 120.086 119.950 -0.063 0.000 2.319 686 F HA 0.364 4.891 4.527 -0.000 0.000 0.356 686 F C 1.054 176.783 175.800 -0.119 0.000 1.100 686 F CA -0.468 57.501 58.000 -0.052 0.000 1.220 686 F CB 1.312 40.286 39.000 -0.043 0.000 1.506 686 F HN -0.005 nan 8.300 nan 0.000 0.512 687 G N 1.338 110.095 108.800 -0.071 0.000 2.534 687 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.217 687 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.217 687 G C 0.332 175.033 174.900 -0.332 0.000 1.128 687 G CA 0.224 45.175 45.100 -0.248 0.000 0.784 687 G HN 0.313 nan 8.290 nan 0.000 0.542 688 F N -1.149 118.787 119.950 -0.025 0.000 2.397 688 F HA 0.505 5.032 4.527 -0.000 0.000 0.331 688 F C 0.009 175.827 175.800 0.029 0.000 1.090 688 F CA -1.417 56.596 58.000 0.022 0.000 1.065 688 F CB 1.180 40.232 39.000 0.087 0.000 1.184 688 F HN -0.037 nan 8.300 nan 0.000 0.499 689 W N 4.447 125.937 121.300 0.317 0.000 2.316 689 W HA 0.431 5.091 4.660 -0.000 0.000 0.311 689 W C -0.698 175.936 176.519 0.191 0.000 1.217 689 W CA -0.742 56.726 57.345 0.205 0.000 1.199 689 W CB 1.035 30.601 29.460 0.178 0.000 1.202 689 W HN 0.122 nan 8.180 nan 0.000 0.528 690 L N 6.431 127.923 121.223 0.449 0.000 2.283 690 L HA 0.476 4.816 4.340 -0.000 0.000 0.281 690 L C -0.647 176.366 176.870 0.239 0.000 1.033 690 L CA -0.603 54.395 54.840 0.264 0.000 0.848 690 L CB 0.197 42.356 42.059 0.167 0.000 1.226 690 L HN 0.120 nan 8.230 nan 0.000 0.429 691 V N 3.819 123.873 119.914 0.233 0.000 2.567 691 V HA 0.602 4.722 4.120 -0.000 0.000 0.289 691 V C 0.459 176.605 176.094 0.086 0.000 1.049 691 V CA -0.375 62.086 62.300 0.268 0.000 0.969 691 V CB 1.556 33.664 31.823 0.474 0.000 0.995 691 V HN 0.804 nan 8.190 nan 0.000 0.471 692 T N 2.757 117.359 114.554 0.080 0.000 2.886 692 T HA 0.780 5.130 4.350 -0.000 0.000 0.292 692 T C 0.226 174.932 174.700 0.010 0.000 1.012 692 T CA 0.278 62.277 62.100 -0.168 0.000 0.982 692 T CB 1.734 70.563 68.868 -0.066 0.000 1.018 692 T HN 1.119 nan 8.240 nan 0.000 0.451 693 G N 2.523 111.240 108.800 -0.138 0.000 2.726 693 G HA2 0.659 4.619 3.960 -0.000 0.000 0.198 693 G HA3 0.659 4.619 3.960 -0.000 0.000 0.198 693 G C -1.333 173.819 174.900 0.419 0.000 1.195 693 G CA -0.629 44.705 45.100 0.391 0.000 0.951 693 G HN 0.629 nan 8.290 nan 0.000 0.532 694 R N -2.016 118.765 120.500 0.469 0.000 2.987 694 R HA 0.818 5.158 4.340 -0.000 0.000 0.248 694 R C -1.512 174.903 176.300 0.191 0.000 1.264 694 R CA -0.695 55.540 56.100 0.226 0.000 1.026 694 R CB 2.204 32.554 30.300 0.083 0.000 1.286 694 R HN 0.354 nan 8.270 nan 0.000 0.483 695 V N 1.398 121.305 119.914 -0.012 0.000 2.888 695 V HA 0.101 4.221 4.120 -0.000 0.000 0.309 695 V C 0.639 176.610 176.094 -0.204 0.000 1.114 695 V CA -0.612 61.620 62.300 -0.113 0.000 0.940 695 V CB 1.989 33.611 31.823 -0.335 0.000 1.021 695 V HN 0.708 nan 8.190 nan 0.000 0.426 696 L N 4.026 125.152 121.223 -0.162 0.000 2.030 696 L HA -0.227 4.113 4.340 -0.000 0.000 0.222 696 L C 2.055 178.766 176.870 -0.264 0.000 1.082 696 L CA 2.591 57.325 54.840 -0.176 0.000 0.785 696 L CB -0.299 41.690 42.059 -0.116 0.000 0.895 696 L HN 0.874 nan 8.230 nan 0.000 0.439 697 E N -1.269 118.722 120.200 -0.347 0.000 2.338 697 E HA -0.052 4.298 4.350 -0.000 0.000 0.197 697 E C 0.016 176.122 176.600 -0.823 0.000 1.007 697 E CA 0.821 56.894 56.400 -0.545 0.000 0.849 697 E CB -0.105 29.240 29.700 -0.592 0.000 0.774 697 E HN 0.552 nan 8.360 nan 0.000 0.506 698 H N -1.363 117.409 119.070 -0.496 0.000 2.572 698 H HA 0.153 4.709 4.556 -0.000 0.000 0.359 698 H C -1.082 173.990 175.328 -0.427 0.000 1.134 698 H CA -0.884 54.840 56.048 -0.539 0.000 1.187 698 H CB 0.929 30.141 29.762 -0.917 0.000 1.597 698 H HN 0.159 nan 8.280 nan 0.000 0.524 699 W N 5.522 126.559 121.300 -0.439 0.000 2.291 699 W HA 0.129 4.789 4.660 -0.000 0.000 0.312 699 W C -0.252 176.036 176.519 -0.385 0.000 1.061 699 W CA -0.139 56.888 57.345 -0.530 0.000 1.296 699 W CB 0.047 29.117 29.460 -0.651 0.000 1.223 699 W HN 0.847 nan 8.180 nan 0.000 0.421 700 H N 1.714 120.234 119.070 -0.918 0.000 1.452 700 H HA -0.300 4.256 4.556 -0.000 0.000 0.090 700 H C 1.819 176.430 175.328 -1.196 0.000 0.726 700 H CA 2.433 57.766 56.048 -1.193 0.000 1.901 700 H CB -1.640 27.705 29.762 -0.695 0.000 2.257 700 H HN 0.407 nan 8.280 nan 0.000 0.961 701 S N 1.238 116.710 115.700 -0.379 0.000 2.522 701 S HA 0.201 4.671 4.470 -0.000 0.000 0.227 701 S C 1.726 176.270 174.600 -0.093 0.000 0.986 701 S CA 1.523 59.618 58.200 -0.176 0.000 0.929 701 S CB 0.110 63.354 63.200 0.073 0.000 0.769 701 S HN 1.046 nan 8.310 nan 0.000 0.529 702 G N 1.468 110.223 108.800 -0.075 0.000 2.168 702 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.263 702 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.263 702 G C 0.929 175.825 174.900 -0.007 0.000 0.977 702 G CA 0.707 45.771 45.100 -0.060 0.000 0.659 702 G HN 0.657 nan 8.290 nan 0.000 0.533 703 S N -0.693 115.041 115.700 0.056 0.000 2.442 703 S HA 0.045 4.515 4.470 -0.000 0.000 0.236 703 S C 2.163 176.750 174.600 -0.021 0.000 1.007 703 S CA 1.730 59.953 58.200 0.037 0.000 0.965 703 S CB -0.141 63.164 63.200 0.175 0.000 0.773 703 S HN 0.600 nan 8.310 nan 0.000 0.504 704 M N 1.074 120.738 119.600 0.108 0.000 2.906 704 M HA 0.032 4.512 4.480 -0.000 0.000 0.252 704 M C 2.624 178.973 176.300 0.080 0.000 1.359 704 M CA 1.353 56.724 55.300 0.118 0.000 1.239 704 M CB -0.609 32.136 32.600 0.243 0.000 1.229 704 M HN 0.472 nan 8.290 nan 0.000 0.547 705 T N -0.279 114.352 114.554 0.129 0.000 2.904 705 T HA 0.020 4.370 4.350 -0.000 0.000 0.267 705 T C 1.626 176.400 174.700 0.124 0.000 1.059 705 T CA 0.798 62.962 62.100 0.106 0.000 1.137 705 T CB -0.597 68.315 68.868 0.073 0.000 0.879 705 T HN 0.269 nan 8.240 nan 0.000 0.467 706 L N 0.071 121.330 121.223 0.060 0.000 2.633 706 L HA 0.178 4.518 4.340 -0.000 0.000 0.235 706 L C 2.797 179.618 176.870 -0.082 0.000 1.163 706 L CA 0.665 55.523 54.840 0.030 0.000 0.859 706 L CB -0.246 41.761 42.059 -0.086 0.000 0.973 706 L HN 0.235 nan 8.230 nan 0.000 0.451 707 R N -1.600 118.836 120.500 -0.105 0.000 2.307 707 R HA 0.026 4.366 4.340 -0.000 0.000 0.200 707 R C 0.662 176.921 176.300 -0.069 0.000 0.893 707 R CA 0.228 56.231 56.100 -0.160 0.000 1.042 707 R CB 0.026 30.143 30.300 -0.306 0.000 1.059 707 R HN 0.322 nan 8.270 nan 0.000 0.530 708 W N 2.975 124.259 121.300 -0.027 0.000 2.419 708 W HA 0.240 4.900 4.660 -0.000 0.000 0.312 708 W C -2.090 174.385 176.519 -0.073 0.000 1.323 708 W CA -2.586 54.733 57.345 -0.043 0.000 1.293 708 W CB -0.179 29.248 29.460 -0.055 0.000 1.324 708 W HN -0.065 nan 8.180 nan 0.000 0.512 709 P HA -0.301 nan 4.420 nan 0.000 0.215 709 P C 1.669 178.917 177.300 -0.087 0.000 1.163 709 P CA 3.192 66.280 63.100 -0.020 0.000 0.894 709 P CB 0.217 31.905 31.700 -0.020 0.000 0.791 710 E N -0.216 119.812 120.200 -0.288 0.000 2.153 710 E HA -0.134 4.215 4.350 -0.000 0.000 0.194 710 E C 2.149 178.570 176.600 -0.299 0.000 0.988 710 E CA 1.057 57.254 56.400 -0.338 0.000 0.811 710 E CB -1.225 28.124 29.700 -0.585 0.000 0.746 710 E HN 0.341 nan 8.360 nan 0.000 0.466 711 L N -0.211 120.815 121.223 -0.328 0.000 2.095 711 L HA -0.098 4.242 4.340 -0.000 0.000 0.204 711 L C 2.670 179.465 176.870 -0.125 0.000 1.080 711 L CA 0.986 55.659 54.840 -0.278 0.000 0.759 711 L CB -0.580 41.300 42.059 -0.299 0.000 0.914 711 L HN 0.035 nan 8.230 nan 0.000 0.439 712 Y N 1.547 121.811 120.300 -0.060 0.000 2.089 712 Y HA -0.275 4.275 4.550 -0.000 0.000 0.282 712 Y C 2.554 178.483 175.900 0.048 0.000 1.139 712 Y CA 1.525 59.669 58.100 0.074 0.000 1.123 712 Y CB -0.328 38.146 38.460 0.023 0.000 0.980 712 Y HN -0.061 nan 8.280 nan 0.000 0.493 713 K N 0.105 120.367 120.400 -0.229 0.000 2.089 713 K HA -0.243 4.077 4.320 -0.000 0.000 0.210 713 K C 2.281 178.740 176.600 -0.235 0.000 1.048 713 K CA 1.472 57.584 56.287 -0.290 0.000 0.926 713 K CB -0.525 31.903 32.500 -0.120 0.000 0.714 713 K HN 0.463 nan 8.250 nan 0.000 0.448 714 A N 0.012 122.736 122.820 -0.160 0.000 2.019 714 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 714 A C 0.910 178.468 177.584 -0.044 0.000 1.164 714 A CA 0.996 52.969 52.037 -0.106 0.000 0.644 714 A CB -0.082 18.856 19.000 -0.104 0.000 0.805 714 A HN 0.386 nan 8.150 nan 0.000 0.449 715 F N -0.909 118.929 119.950 -0.186 0.000 3.181 715 F HA 0.222 4.749 4.527 -0.000 0.000 0.418 715 F C -2.113 173.686 175.800 -0.000 0.000 1.117 715 F CA -1.289 56.671 58.000 -0.068 0.000 1.255 715 F CB 1.312 40.271 39.000 -0.068 0.000 2.615 715 F HN -0.015 nan 8.300 nan 0.000 0.640 716 P HA -0.053 nan 4.420 nan 0.000 0.216 716 P C 0.618 178.112 177.300 0.324 0.000 1.157 716 P CA 1.530 64.453 63.100 -0.296 0.000 0.880 716 P CB 0.576 31.955 31.700 -0.536 0.000 0.791 717 G N -1.744 107.289 108.800 0.388 0.000 2.672 717 G HA2 0.589 4.549 3.960 -0.000 0.000 0.292 717 G HA3 0.589 4.549 3.960 -0.000 0.000 0.292 717 G C -1.125 174.016 174.900 0.402 0.000 1.375 717 G CA -0.167 45.163 45.100 0.384 0.000 0.890 717 G HN 0.265 nan 8.290 nan 0.000 0.476 718 A N -0.872 121.884 122.820 -0.107 0.000 2.448 718 A HA 0.603 4.923 4.320 -0.000 0.000 0.239 718 A C 0.081 177.655 177.584 -0.016 0.000 1.080 718 A CA 0.216 52.101 52.037 -0.253 0.000 0.779 718 A CB 0.266 18.931 19.000 -0.557 0.000 1.026 718 A HN 1.616 nan 8.150 nan 0.000 0.499 719 V N -0.370 119.544 119.914 -0.001 0.000 3.048 719 V HA 0.395 4.515 4.120 -0.000 0.000 0.303 719 V C -0.286 175.700 176.094 -0.181 0.000 1.214 719 V CA -0.959 61.264 62.300 -0.128 0.000 0.984 719 V CB 1.090 32.752 31.823 -0.267 0.000 1.054 719 V HN 1.196 nan 8.190 nan 0.000 0.430 720 C N 4.325 123.508 119.300 -0.195 0.000 2.303 720 C HA 0.676 5.135 4.460 -0.000 0.000 0.341 720 C C -0.048 174.841 174.990 -0.169 0.000 1.244 720 C CA -0.404 58.538 59.018 -0.126 0.000 1.765 720 C CB -1.682 25.988 27.740 -0.118 0.000 2.379 720 C HN 0.596 nan 8.230 nan 0.000 0.530 721 F N 6.869 126.836 119.950 0.028 0.000 2.438 721 F HA 0.497 5.024 4.527 -0.000 0.000 0.356 721 F C 0.576 176.353 175.800 -0.038 0.000 1.099 721 F CA 0.164 58.169 58.000 0.008 0.000 1.185 721 F CB 0.691 39.697 39.000 0.010 0.000 1.115 721 F HN 0.536 nan 8.300 nan 0.000 0.526 722 M N 2.297 121.962 119.600 0.107 0.000 2.704 722 M HA 0.388 4.868 4.480 -0.000 0.000 0.284 722 M C -1.295 175.082 176.300 0.129 0.000 1.275 722 M CA -0.897 54.443 55.300 0.065 0.000 0.811 722 M CB 2.185 34.760 32.600 -0.041 0.000 1.741 722 M HN 0.688 nan 8.290 nan 0.000 0.458 723 H N 2.128 121.254 119.070 0.092 0.000 2.652 723 H HA 0.286 4.842 4.556 -0.000 0.000 0.349 723 H C -1.884 173.491 175.328 0.078 0.000 1.099 723 H CA -0.694 55.415 56.048 0.102 0.000 1.417 723 H CB 1.083 30.926 29.762 0.136 0.000 1.457 723 H HN 0.252 nan 8.280 nan 0.000 0.568 724 P HA -0.188 nan 4.420 nan 0.000 0.219 724 P C 0.844 178.230 177.300 0.143 0.000 1.146 724 P CA 1.345 64.435 63.100 -0.017 0.000 0.808 724 P CB 0.429 32.058 31.700 -0.117 0.000 0.779 725 E N -0.481 119.967 120.200 0.414 0.000 2.216 725 E HA -0.073 4.277 4.350 -0.000 0.000 0.192 725 E C 1.151 177.884 176.600 0.221 0.000 0.973 725 E CA 0.202 56.781 56.400 0.298 0.000 0.851 725 E CB -0.033 29.838 29.700 0.285 0.000 0.804 725 E HN 0.033 nan 8.360 nan 0.000 0.477 726 D N 0.238 120.806 120.400 0.280 0.000 2.351 726 D HA -0.076 4.564 4.640 -0.000 0.000 0.216 726 D C 1.280 177.710 176.300 0.216 0.000 0.968 726 D CA 0.697 54.847 54.000 0.251 0.000 0.899 726 D CB 0.204 41.239 40.800 0.392 0.000 0.907 726 D HN 0.205 nan 8.370 nan 0.000 0.514 727 A N 0.276 123.193 122.820 0.161 0.000 1.887 727 A HA 0.007 4.327 4.320 -0.000 0.000 0.210 727 A C 2.090 179.719 177.584 0.075 0.000 1.221 727 A CA 0.338 52.433 52.037 0.096 0.000 0.635 727 A CB -0.138 18.898 19.000 0.059 0.000 0.881 727 A HN 0.026 nan 8.150 nan 0.000 0.456 728 R N 0.896 121.441 120.500 0.074 0.000 2.133 728 R HA -0.216 4.124 4.340 -0.000 0.000 0.245 728 R C 2.607 178.937 176.300 0.050 0.000 1.137 728 R CA 2.148 58.280 56.100 0.054 0.000 0.947 728 R CB -0.785 29.549 30.300 0.057 0.000 0.865 728 R HN 0.684 nan 8.270 nan 0.000 0.437 729 S N 1.055 116.792 115.700 0.062 0.000 2.359 729 S HA -0.217 4.253 4.470 -0.000 0.000 0.223 729 S C 1.899 176.526 174.600 0.044 0.000 1.039 729 S CA 1.431 59.660 58.200 0.049 0.000 1.042 729 S CB -0.257 62.974 63.200 0.052 0.000 0.915 729 S HN 0.267 nan 8.310 nan 0.000 0.439 730 R N 1.153 121.690 120.500 0.061 0.000 2.328 730 R HA 0.295 4.635 4.340 -0.000 0.000 0.200 730 R C 1.435 177.755 176.300 0.033 0.000 0.983 730 R CA 0.540 56.672 56.100 0.052 0.000 1.062 730 R CB -0.541 29.807 30.300 0.081 0.000 0.956 730 R HN 0.703 nan 8.270 nan 0.000 0.479 731 G N 0.277 109.094 108.800 0.029 0.000 2.176 731 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.252 731 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.252 731 G C -0.409 174.499 174.900 0.013 0.000 1.024 731 G CA -0.247 44.864 45.100 0.018 0.000 0.755 731 G HN 0.049 nan 8.290 nan 0.000 0.507 732 L N 0.186 121.420 121.223 0.019 0.000 2.331 732 L HA 0.595 4.935 4.340 -0.000 0.000 0.275 732 L C 0.551 177.423 176.870 0.004 0.000 1.022 732 L CA -1.060 53.784 54.840 0.007 0.000 0.812 732 L CB 1.326 43.390 42.059 0.008 0.000 1.257 732 L HN 0.412 nan 8.230 nan 0.000 0.435 733 N N 0.759 119.454 118.700 -0.009 0.000 2.890 733 N HA 0.523 5.263 4.740 -0.000 0.000 0.317 733 N C -0.791 174.701 175.510 -0.029 0.000 1.355 733 N CA -1.083 51.958 53.050 -0.014 0.000 0.803 733 N CB 1.414 39.891 38.487 -0.016 0.000 1.465 733 N HN 0.375 nan 8.380 nan 0.000 0.591 734 R N 0.171 120.649 120.500 -0.036 0.000 2.401 734 R HA 0.237 4.577 4.340 -0.000 0.000 0.299 734 R C 0.443 176.707 176.300 -0.061 0.000 1.064 734 R CA 1.038 57.105 56.100 -0.055 0.000 1.000 734 R CB -0.291 29.976 30.300 -0.056 0.000 0.973 734 R HN 0.915 nan 8.270 nan 0.000 0.438 735 G N 2.306 111.061 108.800 -0.076 0.000 2.213 735 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.226 735 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.226 735 G C -0.145 174.718 174.900 -0.061 0.000 0.992 735 G CA 0.059 45.115 45.100 -0.073 0.000 0.632 735 G HN 0.630 nan 8.290 nan 0.000 0.511 736 S N 0.699 116.367 115.700 -0.054 0.000 2.560 736 S HA 0.334 4.804 4.470 -0.000 0.000 0.284 736 S C 0.317 174.886 174.600 -0.051 0.000 1.327 736 S CA 0.054 58.227 58.200 -0.045 0.000 1.055 736 S CB 1.522 64.701 63.200 -0.036 0.000 0.868 736 S HN 0.435 nan 8.310 nan 0.000 0.506 737 E N 2.241 122.415 120.200 -0.043 0.000 2.052 737 E HA 0.300 4.650 4.350 -0.000 0.000 0.283 737 E C -0.172 176.403 176.600 -0.043 0.000 1.071 737 E CA -0.524 55.849 56.400 -0.045 0.000 0.851 737 E CB 0.330 30.008 29.700 -0.037 0.000 1.066 737 E HN 0.499 nan 8.360 nan 0.000 0.396 738 V N 1.720 121.603 119.914 -0.052 0.000 3.096 738 V HA 0.595 4.715 4.120 -0.000 0.000 0.319 738 V C -0.045 176.022 176.094 -0.044 0.000 1.082 738 V CA -1.017 61.254 62.300 -0.049 0.000 1.022 738 V CB 1.733 33.517 31.823 -0.066 0.000 1.103 738 V HN 0.542 nan 8.190 nan 0.000 0.455 739 R N 0.983 121.464 120.500 -0.033 0.000 2.337 739 R HA 0.646 4.985 4.340 -0.000 0.000 0.319 739 R C -1.392 174.899 176.300 -0.014 0.000 0.954 739 R CA -0.511 55.575 56.100 -0.022 0.000 0.840 739 R CB 1.861 32.155 30.300 -0.010 0.000 1.164 739 R HN 0.720 nan 8.270 nan 0.000 0.472 740 V N 6.602 126.505 119.914 -0.019 0.000 2.389 740 V HA 0.305 4.425 4.120 -0.000 0.000 0.264 740 V C 0.225 176.340 176.094 0.036 0.000 1.049 740 V CA -0.083 62.216 62.300 -0.003 0.000 0.932 740 V CB 0.795 32.601 31.823 -0.027 0.000 1.011 740 V HN 0.608 nan 8.190 nan 0.000 0.475 741 I N 3.959 124.582 120.570 0.089 0.000 2.530 741 I HA 0.619 4.788 4.170 -0.000 0.000 0.297 741 I C 0.189 176.459 176.117 0.256 0.000 1.011 741 I CA -0.069 61.315 61.300 0.140 0.000 1.107 741 I CB 2.197 40.272 38.000 0.126 0.000 1.285 741 I HN 0.518 nan 8.210 nan 0.000 0.436 742 S N 2.655 118.473 115.700 0.198 0.000 2.732 742 S HA 0.453 4.923 4.470 -0.000 0.000 0.293 742 S C 0.691 175.314 174.600 0.039 0.000 1.159 742 S CA -0.809 57.437 58.200 0.078 0.000 0.847 742 S CB 2.073 65.251 63.200 -0.037 0.000 1.169 742 S HN 0.560 nan 8.310 nan 0.000 0.501 743 R N 0.417 120.774 120.500 -0.239 0.000 2.285 743 R HA 0.074 4.414 4.340 -0.000 0.000 0.213 743 R C 1.393 177.670 176.300 -0.037 0.000 1.068 743 R CA 0.918 56.943 56.100 -0.124 0.000 1.004 743 R CB -0.042 30.111 30.300 -0.245 0.000 0.873 743 R HN 0.391 nan 8.270 nan 0.000 0.467 744 R N -0.456 120.018 120.500 -0.043 0.000 2.250 744 R HA 0.191 4.531 4.340 -0.000 0.000 0.194 744 R C 0.768 177.066 176.300 -0.003 0.000 0.927 744 R CA 0.542 56.630 56.100 -0.019 0.000 1.052 744 R CB 1.126 31.405 30.300 -0.034 0.000 1.055 744 R HN 0.172 nan 8.270 nan 0.000 0.537 745 G N -0.013 108.791 108.800 0.007 0.000 2.441 745 G HA2 0.354 4.314 3.960 -0.000 0.000 0.294 745 G HA3 0.354 4.314 3.960 -0.000 0.000 0.294 745 G C -1.806 173.106 174.900 0.020 0.000 1.393 745 G CA -0.741 44.363 45.100 0.008 0.000 0.796 745 G HN 0.012 nan 8.290 nan 0.000 0.494 746 E N -1.018 119.185 120.200 0.005 0.000 2.343 746 E HA 0.723 5.073 4.350 -0.000 0.000 0.270 746 E C -0.875 175.714 176.600 -0.019 0.000 0.895 746 E CA -0.721 55.681 56.400 0.004 0.000 0.767 746 E CB 2.992 32.695 29.700 0.006 0.000 1.248 746 E HN 0.439 nan 8.360 nan 0.000 0.440 747 I N 0.590 121.145 120.570 -0.024 0.000 3.074 747 I HA 0.471 4.641 4.170 -0.000 0.000 0.310 747 I C -0.717 175.375 176.117 -0.042 0.000 1.153 747 I CA -1.048 60.227 61.300 -0.042 0.000 0.993 747 I CB 2.274 40.240 38.000 -0.056 0.000 1.237 747 I HN 0.222 nan 8.210 nan 0.000 0.443 748 R N 2.110 122.581 120.500 -0.050 0.000 2.388 748 R HA 0.528 4.868 4.340 -0.000 0.000 0.314 748 R C -0.913 175.349 176.300 -0.063 0.000 0.959 748 R CA -0.493 55.577 56.100 -0.050 0.000 0.851 748 R CB 2.044 32.318 30.300 -0.042 0.000 1.168 748 R HN 0.778 nan 8.270 nan 0.000 0.472 749 T N -0.314 114.196 114.554 -0.073 0.000 2.907 749 T HA 0.560 4.910 4.350 -0.000 0.000 0.290 749 T C 0.090 174.739 174.700 -0.086 0.000 1.066 749 T CA -1.094 60.954 62.100 -0.087 0.000 1.012 749 T CB 2.113 70.918 68.868 -0.104 0.000 1.184 749 T HN 0.361 nan 8.240 nan 0.000 0.522 750 R N 0.135 120.577 120.500 -0.097 0.000 2.643 750 R HA 0.573 4.913 4.340 -0.000 0.000 0.272 750 R C -0.705 175.517 176.300 -0.131 0.000 0.995 750 R CA -1.029 55.011 56.100 -0.099 0.000 1.032 750 R CB 0.979 31.224 30.300 -0.092 0.000 1.126 750 R HN 0.363 nan 8.270 nan 0.000 0.505 751 L N 1.511 122.662 121.223 -0.120 0.000 2.439 751 L HA 0.150 4.490 4.340 -0.000 0.000 0.269 751 L C 0.134 176.902 176.870 -0.171 0.000 1.179 751 L CA 0.795 55.554 54.840 -0.136 0.000 0.828 751 L CB 0.338 42.340 42.059 -0.095 0.000 1.106 751 L HN 0.606 nan 8.230 nan 0.000 0.467 752 E N 1.239 121.309 120.200 -0.217 0.000 2.317 752 E HA 0.228 4.578 4.350 -0.000 0.000 0.270 752 E C -1.314 175.197 176.600 -0.148 0.000 0.899 752 E CA -0.240 56.016 56.400 -0.239 0.000 0.814 752 E CB 1.458 30.903 29.700 -0.425 0.000 1.296 752 E HN 0.672 nan 8.360 nan 0.000 0.404 753 T N 1.659 116.170 114.554 -0.071 0.000 2.918 753 T HA 0.461 4.811 4.350 -0.000 0.000 0.286 753 T C 0.399 175.093 174.700 -0.010 0.000 1.026 753 T CA -0.172 61.919 62.100 -0.014 0.000 1.031 753 T CB 1.060 69.916 68.868 -0.021 0.000 1.046 753 T HN 0.715 nan 8.240 nan 0.000 0.479 754 R N 0.474 120.984 120.500 0.016 0.000 3.854 754 R HA -0.119 4.221 4.340 -0.000 0.000 0.352 754 R C 0.712 177.044 176.300 0.052 0.000 1.156 754 R CA 0.582 56.691 56.100 0.015 0.000 0.917 754 R CB -2.134 28.159 30.300 -0.013 0.000 1.471 754 R HN 0.964 nan 8.270 nan 0.000 0.521 755 G N 0.268 109.153 108.800 0.141 0.000 2.543 755 G HA2 0.290 4.250 3.960 -0.000 0.000 0.267 755 G HA3 0.290 4.250 3.960 -0.000 0.000 0.267 755 G C 0.963 176.009 174.900 0.243 0.000 1.406 755 G CA -0.045 45.202 45.100 0.246 0.000 1.048 755 G HN 0.281 nan 8.290 nan 0.000 0.548 756 R N -0.778 119.891 120.500 0.282 0.000 2.075 756 R HA -0.001 4.339 4.340 -0.000 0.000 0.232 756 R C -0.170 176.116 176.300 -0.023 0.000 1.126 756 R CA 0.807 56.965 56.100 0.097 0.000 0.963 756 R CB -0.524 29.825 30.300 0.081 0.000 0.858 756 R HN 0.252 nan 8.270 nan 0.000 0.435 757 N N 2.158 120.702 118.700 -0.259 0.000 2.406 757 N HA 0.100 4.840 4.740 -0.000 0.000 0.251 757 N C -0.903 174.529 175.510 -0.129 0.000 1.069 757 N CA -0.057 52.765 53.050 -0.381 0.000 0.947 757 N CB 1.256 39.005 38.487 -1.230 0.000 1.111 757 N HN 0.176 nan 8.380 nan 0.000 0.497 758 R N 2.244 122.740 120.500 -0.006 0.000 2.287 758 R HA 0.288 4.628 4.340 -0.000 0.000 0.327 758 R C 0.198 176.535 176.300 0.062 0.000 1.109 758 R CA -0.556 55.560 56.100 0.027 0.000 1.013 758 R CB 0.389 30.702 30.300 0.021 0.000 1.126 758 R HN 0.306 nan 8.270 nan 0.000 0.503 759 M N 3.526 123.167 119.600 0.069 0.000 2.248 759 M HA 0.226 4.706 4.480 -0.000 0.000 0.337 759 M C -2.012 174.443 176.300 0.260 0.000 1.121 759 M CA -2.884 52.499 55.300 0.140 0.000 1.155 759 M CB -0.205 32.480 32.600 0.142 0.000 1.514 759 M HN 0.248 nan 8.290 nan 0.000 0.452 760 P HA 0.370 nan 4.420 nan 0.000 0.282 760 P C -0.722 176.715 177.300 0.229 0.000 1.259 760 P CA -0.722 62.518 63.100 0.234 0.000 0.826 760 P CB 0.602 32.386 31.700 0.141 0.000 1.064 761 R N 1.066 121.603 120.500 0.060 0.000 2.502 761 R HA 0.307 4.647 4.340 -0.000 0.000 0.292 761 R C 1.145 177.523 176.300 0.131 0.000 0.998 761 R CA 1.078 57.162 56.100 -0.028 0.000 1.056 761 R CB -0.924 29.249 30.300 -0.211 0.000 0.939 761 R HN 0.945 nan 8.270 nan 0.000 0.411 762 G N 1.281 110.230 108.800 0.247 0.000 2.175 762 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.244 762 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.244 762 G C -0.080 175.158 174.900 0.565 0.000 0.982 762 G CA -0.109 45.135 45.100 0.240 0.000 0.641 762 G HN 0.450 nan 8.290 nan 0.000 0.527 763 V N 0.483 120.717 119.914 0.533 0.000 2.540 763 V HA 0.783 4.903 4.120 -0.000 0.000 0.302 763 V C 0.013 176.305 176.094 0.331 0.000 1.035 763 V CA -0.841 61.748 62.300 0.482 0.000 0.873 763 V CB 2.024 34.049 31.823 0.337 0.000 0.992 763 V HN 0.261 nan 8.190 nan 0.000 0.428 764 V N 4.635 124.707 119.914 0.264 0.000 2.735 764 V HA 0.582 4.701 4.120 -0.000 0.000 0.310 764 V C -1.177 175.013 176.094 0.160 0.000 1.061 764 V CA -0.651 61.714 62.300 0.108 0.000 0.913 764 V CB 2.122 33.887 31.823 -0.096 0.000 1.005 764 V HN 0.744 nan 8.190 nan 0.000 0.428 765 F N 5.680 125.606 119.950 -0.040 0.000 2.529 765 F HA 0.790 5.317 4.527 -0.000 0.000 0.320 765 F C -0.577 175.303 175.800 0.133 0.000 1.118 765 F CA -0.630 57.331 58.000 -0.064 0.000 0.915 765 F CB 1.849 40.543 39.000 -0.511 0.000 1.161 765 F HN 0.341 nan 8.300 nan 0.000 0.445 766 V N 4.805 124.386 119.914 -0.556 0.000 2.577 766 V HA 0.695 4.815 4.120 -0.000 0.000 0.303 766 V C -2.891 172.866 176.094 -0.563 0.000 1.042 766 V CA -2.169 59.922 62.300 -0.349 0.000 0.872 766 V CB 1.409 33.128 31.823 -0.173 0.000 0.998 766 V HN 0.636 nan 8.190 nan 0.000 0.423 767 P HA 0.198 nan 4.420 nan 0.000 0.278 767 P C 0.080 177.262 177.300 -0.197 0.000 1.238 767 P CA -0.224 62.785 63.100 -0.151 0.000 0.794 767 P CB 1.041 32.835 31.700 0.156 0.000 0.955 768 W N 3.295 124.438 121.300 -0.261 0.000 3.316 768 W HA 0.089 4.749 4.660 -0.000 0.000 0.327 768 W C 0.944 177.315 176.519 -0.248 0.000 1.232 768 W CA -0.436 56.740 57.345 -0.282 0.000 1.805 768 W CB -1.783 27.533 29.460 -0.239 0.000 1.090 768 W HN 0.243 nan 8.180 nan 0.000 0.654 769 F N 1.403 121.015 119.950 -0.563 0.000 2.408 769 F HA 0.043 4.570 4.527 -0.000 0.000 0.300 769 F C 0.462 176.059 175.800 -0.338 0.000 1.090 769 F CA 0.601 58.251 58.000 -0.584 0.000 1.427 769 F CB -0.757 37.887 39.000 -0.594 0.000 1.070 769 F HN -0.281 nan 8.300 nan 0.000 0.549 770 D N 1.325 121.349 120.400 -0.627 0.000 2.347 770 D HA 0.322 4.962 4.640 -0.000 0.000 0.235 770 D C 1.131 177.329 176.300 -0.170 0.000 1.149 770 D CA 0.259 54.049 54.000 -0.351 0.000 0.850 770 D CB 1.696 42.180 40.800 -0.527 0.000 1.061 770 D HN 0.205 nan 8.370 nan 0.000 0.487 771 A N 3.033 125.804 122.820 -0.081 0.000 2.121 771 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 771 A C 2.097 179.647 177.584 -0.057 0.000 1.154 771 A CA 1.515 53.525 52.037 -0.045 0.000 0.679 771 A CB -0.265 18.724 19.000 -0.019 0.000 0.795 771 A HN 0.574 nan 8.150 nan 0.000 0.458 772 S N -0.522 115.139 115.700 -0.066 0.000 2.406 772 S HA -0.093 4.377 4.470 -0.000 0.000 0.228 772 S C 1.019 175.573 174.600 -0.077 0.000 1.020 772 S CA 0.799 58.964 58.200 -0.060 0.000 0.965 772 S CB -0.247 62.925 63.200 -0.047 0.000 0.798 772 S HN 0.631 nan 8.310 nan 0.000 0.488 773 Q N 1.523 121.259 119.800 -0.107 0.000 2.788 773 Q HA 0.392 4.732 4.340 -0.000 0.000 0.278 773 Q C -1.145 174.795 176.000 -0.101 0.000 1.126 773 Q CA -0.205 55.529 55.803 -0.114 0.000 1.017 773 Q CB 0.781 29.426 28.738 -0.156 0.000 1.219 773 Q HN 0.506 nan 8.270 nan 0.000 0.503 774 L N 2.604 123.783 121.223 -0.074 0.000 2.574 774 L HA 0.060 4.400 4.340 -0.000 0.000 0.281 774 L C 1.161 178.000 176.870 -0.050 0.000 1.212 774 L CA 0.057 54.866 54.840 -0.052 0.000 1.082 774 L CB -0.328 41.695 42.059 -0.060 0.000 1.362 774 L HN 0.575 nan 8.230 nan 0.000 0.451 775 I N 0.985 121.528 120.570 -0.044 0.000 2.493 775 I HA -0.198 3.972 4.170 -0.000 0.000 0.254 775 I C 1.846 177.939 176.117 -0.040 0.000 1.160 775 I CA 0.672 61.944 61.300 -0.047 0.000 1.445 775 I CB -0.294 37.673 38.000 -0.055 0.000 1.086 775 I HN 0.630 nan 8.210 nan 0.000 0.433 776 N N 1.327 120.000 118.700 -0.045 0.000 2.609 776 N HA -0.108 4.632 4.740 -0.000 0.000 0.190 776 N C 1.488 176.976 175.510 -0.037 0.000 1.157 776 N CA 0.771 53.795 53.050 -0.045 0.000 0.918 776 N CB 0.004 38.443 38.487 -0.080 0.000 0.978 776 N HN 0.490 nan 8.380 nan 0.000 0.448 777 K N -0.119 120.256 120.400 -0.042 0.000 2.116 777 K HA 0.056 4.376 4.320 -0.000 0.000 0.203 777 K C 1.703 178.285 176.600 -0.031 0.000 1.052 777 K CA 0.605 56.866 56.287 -0.042 0.000 0.952 777 K CB 0.275 32.745 32.500 -0.051 0.000 0.729 777 K HN -0.008 nan 8.250 nan 0.000 0.446 778 V N 1.740 121.639 119.914 -0.025 0.000 2.719 778 V HA -0.089 4.031 4.120 -0.000 0.000 0.252 778 V C 0.926 177.008 176.094 -0.020 0.000 1.065 778 V CA 1.007 63.298 62.300 -0.016 0.000 1.086 778 V CB -0.590 31.230 31.823 -0.005 0.000 0.700 778 V HN 0.295 nan 8.190 nan 0.000 0.467 779 T N 2.251 116.795 114.554 -0.016 0.000 2.930 779 T HA 0.395 4.745 4.350 -0.000 0.000 0.306 779 T C -0.439 174.226 174.700 -0.059 0.000 1.045 779 T CA -0.226 61.863 62.100 -0.017 0.000 1.134 779 T CB 1.440 70.326 68.868 0.029 0.000 0.961 779 T HN 0.106 nan 8.240 nan 0.000 0.545 780 L N 2.246 123.420 121.223 -0.082 0.000 2.292 780 L HA 0.303 4.643 4.340 -0.000 0.000 0.284 780 L C 1.174 177.946 176.870 -0.163 0.000 1.065 780 L CA -0.177 54.596 54.840 -0.111 0.000 0.806 780 L CB 0.742 42.734 42.059 -0.111 0.000 1.175 780 L HN 0.610 nan 8.230 nan 0.000 0.431 781 D N 3.346 123.662 120.400 -0.140 0.000 2.411 781 D HA -0.078 4.562 4.640 -0.000 0.000 0.226 781 D C 0.341 176.553 176.300 -0.146 0.000 0.988 781 D CA 0.649 54.566 54.000 -0.138 0.000 0.938 781 D CB 0.129 40.881 40.800 -0.080 0.000 0.883 781 D HN 0.693 nan 8.370 nan 0.000 0.525 782 A N 0.175 122.899 122.820 -0.159 0.000 2.445 782 A HA 0.333 4.653 4.320 -0.000 0.000 0.242 782 A C 0.197 177.717 177.584 -0.107 0.000 1.075 782 A CA -0.064 51.908 52.037 -0.108 0.000 0.777 782 A CB 0.286 19.244 19.000 -0.069 0.000 1.013 782 A HN 0.345 nan 8.150 nan 0.000 0.493 783 N N 0.138 118.804 118.700 -0.057 0.000 2.577 783 N HA 0.371 5.111 4.740 -0.000 0.000 0.285 783 N C -1.533 173.937 175.510 -0.066 0.000 1.309 783 N CA -0.922 52.091 53.050 -0.062 0.000 0.798 783 N CB 1.196 39.649 38.487 -0.057 0.000 1.463 783 N HN 0.707 nan 8.380 nan 0.000 0.518 784 D N 1.477 121.833 120.400 -0.073 0.000 2.365 784 D HA 0.094 4.734 4.640 -0.000 0.000 0.237 784 D C -1.565 174.650 176.300 -0.142 0.000 1.190 784 D CA -1.969 51.951 54.000 -0.134 0.000 0.867 784 D CB 0.889 41.627 40.800 -0.104 0.000 1.050 784 D HN 0.307 nan 8.370 nan 0.000 0.491 785 P HA -0.176 nan 4.420 nan 0.000 0.220 785 P C 1.523 178.761 177.300 -0.103 0.000 1.142 785 P CA 0.991 64.010 63.100 -0.136 0.000 0.801 785 P CB 0.387 31.991 31.700 -0.160 0.000 0.764 786 I N -0.122 120.390 120.570 -0.097 0.000 2.385 786 I HA -0.108 4.062 4.170 -0.000 0.000 0.244 786 I C 2.605 178.687 176.117 -0.058 0.000 1.089 786 I CA 1.660 62.932 61.300 -0.047 0.000 1.410 786 I CB -0.752 37.254 38.000 0.010 0.000 1.117 786 I HN 0.030 nan 8.210 nan 0.000 0.429 787 S N -0.058 115.613 115.700 -0.048 0.000 2.478 787 S HA 0.016 4.486 4.470 -0.000 0.000 0.222 787 S C 1.131 175.704 174.600 -0.046 0.000 1.008 787 S CA -0.113 58.072 58.200 -0.024 0.000 0.928 787 S CB 0.165 63.381 63.200 0.026 0.000 0.781 787 S HN 0.310 nan 8.310 nan 0.000 0.518 788 R N 0.627 121.066 120.500 -0.102 0.000 3.776 788 R HA -0.133 4.207 4.340 -0.000 0.000 0.312 788 R C -0.248 176.031 176.300 -0.035 0.000 1.181 788 R CA 0.976 56.965 56.100 -0.186 0.000 0.836 788 R CB -2.680 27.301 30.300 -0.532 0.000 1.324 788 R HN 0.865 nan 8.270 nan 0.000 0.501 789 Q N 1.182 121.005 119.800 0.037 0.000 2.337 789 Q HA 0.222 4.561 4.340 -0.000 0.000 0.255 789 Q C 0.188 176.218 176.000 0.050 0.000 0.997 789 Q CA 0.121 56.000 55.803 0.127 0.000 0.925 789 Q CB 0.988 29.825 28.738 0.165 0.000 1.212 789 Q HN 0.204 nan 8.270 nan 0.000 0.436 790 T N 2.023 116.583 114.554 0.010 0.000 2.906 790 T HA -0.071 4.279 4.350 -0.000 0.000 0.320 790 T C -0.243 174.224 174.700 -0.388 0.000 1.088 790 T CA -0.225 61.712 62.100 -0.271 0.000 1.120 790 T CB 0.631 69.186 68.868 -0.522 0.000 1.000 790 T HN 0.707 nan 8.240 nan 0.000 0.550 791 D N 2.822 122.983 120.400 -0.398 0.000 2.427 791 D HA 0.220 4.860 4.640 -0.000 0.000 0.226 791 D C -0.139 175.993 176.300 -0.280 0.000 1.076 791 D CA -0.704 53.170 54.000 -0.210 0.000 0.849 791 D CB 0.169 40.927 40.800 -0.070 0.000 1.052 791 D HN 0.580 nan 8.370 nan 0.000 0.515 792 F N 2.045 121.976 119.950 -0.031 0.000 2.727 792 F HA 0.192 4.719 4.527 -0.000 0.000 0.302 792 F C 2.009 177.805 175.800 -0.007 0.000 1.097 792 F CA -0.311 57.649 58.000 -0.067 0.000 1.330 792 F CB 0.487 39.391 39.000 -0.161 0.000 1.084 792 F HN 0.129 nan 8.300 nan 0.000 0.578 793 K N 1.527 122.042 120.400 0.191 0.000 2.444 793 K HA 0.104 4.424 4.320 -0.000 0.000 0.193 793 K C 0.147 176.822 176.600 0.125 0.000 1.024 793 K CA 0.361 56.748 56.287 0.166 0.000 1.077 793 K CB -0.078 32.513 32.500 0.151 0.000 0.833 793 K HN 0.336 nan 8.250 nan 0.000 0.517 794 K N -0.232 120.246 120.400 0.130 0.000 2.569 794 K HA 0.380 4.700 4.320 -0.000 0.000 0.259 794 K C -0.797 175.977 176.600 0.291 0.000 0.932 794 K CA -0.831 55.602 56.287 0.244 0.000 0.833 794 K CB 1.187 33.750 32.500 0.104 0.000 1.340 794 K HN 0.070 nan 8.250 nan 0.000 0.429 795 C N -1.279 118.251 119.300 0.383 0.000 3.176 795 C HA 0.816 5.276 4.460 -0.000 0.000 0.343 795 C C -0.843 174.220 174.990 0.121 0.000 1.332 795 C CA -0.656 58.465 59.018 0.172 0.000 1.200 795 C CB 0.842 28.616 27.740 0.058 0.000 1.440 795 C HN 1.136 nan 8.230 nan 0.000 0.458 796 A N 0.934 123.725 122.820 -0.049 0.000 2.309 796 A HA 0.810 5.130 4.320 -0.000 0.000 0.298 796 A C -0.460 177.158 177.584 0.056 0.000 1.165 796 A CA -0.355 51.645 52.037 -0.062 0.000 0.821 796 A CB 0.508 19.426 19.000 -0.137 0.000 1.102 796 A HN 1.762 nan 8.150 nan 0.000 0.500 797 V N 2.287 122.334 119.914 0.222 0.000 2.971 797 V HA 0.454 4.574 4.120 -0.000 0.000 0.309 797 V C -0.189 176.145 176.094 0.400 0.000 1.130 797 V CA -0.815 61.677 62.300 0.320 0.000 0.964 797 V CB 2.261 34.206 31.823 0.203 0.000 1.029 797 V HN 0.980 nan 8.190 nan 0.000 0.427 798 K N 2.716 123.336 120.400 0.365 0.000 2.203 798 K HA 0.784 5.104 4.320 -0.000 0.000 0.251 798 K C -1.576 175.119 176.600 0.158 0.000 0.944 798 K CA -0.720 55.695 56.287 0.213 0.000 0.829 798 K CB 1.791 34.247 32.500 -0.074 0.000 1.125 798 K HN 0.588 nan 8.250 nan 0.000 0.430 799 I N 2.661 123.331 120.570 0.166 0.000 2.447 799 I HA 0.307 4.477 4.170 -0.000 0.000 0.287 799 I C -0.423 175.723 176.117 0.049 0.000 1.023 799 I CA -0.595 60.739 61.300 0.057 0.000 1.083 799 I CB 1.857 39.820 38.000 -0.061 0.000 1.245 799 I HN 0.463 nan 8.210 nan 0.000 0.434 800 E N 4.306 124.513 120.200 0.013 0.000 2.369 800 E HA 0.912 5.262 4.350 -0.000 0.000 0.270 800 E C -1.176 175.419 176.600 -0.007 0.000 0.909 800 E CA -0.798 55.605 56.400 0.005 0.000 0.775 800 E CB 3.165 32.862 29.700 -0.005 0.000 1.270 800 E HN 0.726 nan 8.360 nan 0.000 0.445 801 A N 0.000 122.815 122.820 -0.008 0.000 2.254 801 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 801 A CA 0.000 nan 52.037 nan 0.000 0.836 801 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 801 A HN 0.000 nan 8.150 nan 0.000 0.486