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_O 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 0.000 175.910 176.117 -0.344 0.000 1.063 12 I CA 0.000 61.153 61.300 -0.246 0.000 1.566 12 I CB 0.000 37.911 38.000 -0.148 0.000 1.214 13 R N 1.375 121.604 120.500 -0.451 0.000 2.310 13 R HA 0.358 4.698 4.340 -0.000 0.000 0.324 13 R C -1.806 174.219 176.300 -0.459 0.000 0.955 13 R CA -0.421 55.475 56.100 -0.340 0.000 0.830 13 R CB 1.051 31.235 30.300 -0.193 0.000 1.154 13 R HN 0.033 nan 8.270 nan 0.000 0.458 14 W N 1.911 123.197 121.300 -0.023 0.000 2.331 14 W HA 0.349 5.008 4.660 -0.000 0.000 0.306 14 W C 0.113 176.643 176.519 0.018 0.000 1.162 14 W CA -0.303 57.031 57.345 -0.018 0.000 1.232 14 W CB 1.569 31.015 29.460 -0.023 0.000 1.235 14 W HN 0.308 nan 8.180 nan 0.000 0.479 15 S N 2.494 118.321 115.700 0.212 0.000 2.513 15 S HA 0.349 4.819 4.470 -0.000 0.000 0.299 15 S C -0.383 174.306 174.600 0.148 0.000 1.087 15 S CA -1.044 57.261 58.200 0.176 0.000 1.012 15 S CB 1.383 64.671 63.200 0.146 0.000 1.044 15 S HN 0.424 nan 8.310 nan 0.000 0.485 16 K N 1.681 122.164 120.400 0.138 0.000 2.401 16 K HA 0.552 4.872 4.320 -0.000 0.000 0.278 16 K C -0.646 175.996 176.600 0.070 0.000 1.018 16 K CA -0.071 56.279 56.287 0.105 0.000 0.981 16 K CB 0.291 32.859 32.500 0.113 0.000 0.933 16 K HN 0.684 nan 8.250 nan 0.000 0.477 17 A N 4.857 127.695 122.820 0.030 0.000 2.583 17 A HA 0.411 4.731 4.320 -0.000 0.000 0.298 17 A C -2.953 174.590 177.584 -0.068 0.000 1.055 17 A CA -1.255 50.756 52.037 -0.043 0.000 0.714 17 A CB 1.547 20.395 19.000 -0.253 0.000 1.277 17 A HN 0.606 nan 8.150 nan 0.000 0.406 18 P HA 0.383 nan 4.420 nan 0.000 0.288 18 P C 0.366 177.594 177.300 -0.119 0.000 1.267 18 P CA -0.278 62.679 63.100 -0.238 0.000 0.815 18 P CB 1.220 32.630 31.700 -0.484 0.000 0.989 19 C N 4.562 123.769 119.300 -0.156 0.000 2.502 19 C HA 0.025 4.485 4.460 -0.000 0.000 0.404 19 C C 2.178 176.898 174.990 -0.450 0.000 1.409 19 C CA 0.074 58.913 59.018 -0.298 0.000 1.648 19 C CB -1.058 26.539 27.740 -0.239 0.000 2.571 19 C HN 0.703 nan 8.230 nan 0.000 0.601 20 R N 3.063 122.984 120.500 -0.967 0.000 2.313 20 R HA 0.239 4.579 4.340 -0.000 0.000 0.199 20 R C 0.273 175.878 176.300 -1.158 0.000 0.958 20 R CA 1.095 56.553 56.100 -1.071 0.000 1.047 20 R CB -0.423 28.822 30.300 -1.758 0.000 0.955 20 R HN 0.840 nan 8.270 nan 0.000 0.481 21 F N -1.966 117.479 119.950 -0.841 0.000 2.646 21 F HA 0.227 4.754 4.527 -0.000 0.000 0.162 21 F C 0.908 176.224 175.800 -0.807 0.000 1.332 21 F CA -0.780 56.419 58.000 -1.336 0.000 1.050 21 F CB -0.853 37.511 39.000 -1.059 0.000 1.822 21 F HN -0.254 nan 8.300 nan 0.000 0.490 22 C N 2.346 121.588 119.300 -0.096 0.000 2.354 22 C HA 0.019 4.479 4.460 -0.000 0.000 0.388 22 C C 2.038 177.067 174.990 0.066 0.000 1.441 22 C CA 0.434 59.499 59.018 0.078 0.000 1.562 22 C CB -0.542 27.171 27.740 -0.044 0.000 2.552 22 C HN 0.822 nan 8.230 nan 0.000 0.583 23 G N 4.169 113.054 108.800 0.143 0.000 2.708 23 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.210 23 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.210 23 G C 1.265 176.360 174.900 0.325 0.000 1.141 23 G CA 1.078 46.324 45.100 0.243 0.000 0.788 23 G HN 0.870 nan 8.290 nan 0.000 0.531 24 T N 0.521 115.222 114.554 0.245 0.000 2.674 24 T HA 0.196 4.545 4.350 -0.000 0.000 0.265 24 T C 1.863 176.771 174.700 0.346 0.000 1.039 24 T CA 1.783 64.057 62.100 0.291 0.000 1.150 24 T CB -0.378 68.543 68.868 0.088 0.000 0.864 24 T HN 1.105 nan 8.240 nan 0.000 0.427 25 G N 0.645 109.578 108.800 0.221 0.000 2.270 25 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.224 25 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.224 25 G C 0.184 175.192 174.900 0.181 0.000 1.079 25 G CA -0.336 44.929 45.100 0.275 0.000 0.807 25 G HN 0.672 nan 8.290 nan 0.000 0.492 26 C N 0.081 119.411 119.300 0.049 0.000 2.689 26 C HA 0.622 5.082 4.460 -0.000 0.000 0.409 26 C C 1.602 176.556 174.990 -0.060 0.000 1.293 26 C CA 0.259 59.272 59.018 -0.008 0.000 2.136 26 C CB 0.569 28.264 27.740 -0.076 0.000 2.719 26 C HN 1.085 nan 8.230 nan 0.000 0.644 27 G N 0.789 109.561 108.800 -0.047 0.000 2.356 27 G HA2 0.539 4.499 3.960 -0.000 0.000 0.298 27 G HA3 0.539 4.499 3.960 -0.000 0.000 0.298 27 G C -0.778 174.100 174.900 -0.036 0.000 1.145 27 G CA -0.105 44.961 45.100 -0.057 0.000 0.850 27 G HN 0.663 nan 8.290 nan 0.000 0.487 28 V N 3.522 123.430 119.914 -0.009 0.000 2.815 28 V HA 0.535 4.654 4.120 -0.000 0.000 0.314 28 V C -0.115 176.037 176.094 0.095 0.000 1.064 28 V CA -0.889 61.439 62.300 0.046 0.000 0.952 28 V CB 2.182 34.057 31.823 0.087 0.000 1.020 28 V HN 0.666 nan 8.190 nan 0.000 0.439 29 M N 3.344 123.035 119.600 0.152 0.000 2.043 29 M HA 0.389 4.869 4.480 -0.000 0.000 0.322 29 M C -0.974 175.538 176.300 0.354 0.000 0.962 29 M CA -0.448 54.982 55.300 0.216 0.000 0.927 29 M CB 1.463 34.153 32.600 0.150 0.000 1.466 29 M HN 0.355 nan 8.290 nan 0.000 0.412 30 V N 2.896 122.951 119.914 0.234 0.000 2.470 30 V HA 0.369 4.489 4.120 -0.000 0.000 0.276 30 V C 1.004 177.104 176.094 0.010 0.000 1.040 30 V CA -0.515 61.865 62.300 0.134 0.000 1.008 30 V CB 0.807 32.593 31.823 -0.062 0.000 0.990 30 V HN 0.941 nan 8.190 nan 0.000 0.477 31 G N 3.039 111.704 108.800 -0.225 0.000 2.325 31 G HA2 0.510 4.470 3.960 -0.000 0.000 0.298 31 G HA3 0.510 4.470 3.960 -0.000 0.000 0.298 31 G C -0.286 174.310 174.900 -0.507 0.000 1.134 31 G CA -0.146 44.388 45.100 -0.944 0.000 0.876 31 G HN 0.613 nan 8.290 nan 0.000 0.452 32 T N 1.890 116.142 114.554 -0.504 0.000 2.861 32 T HA 0.645 4.995 4.350 -0.000 0.000 0.287 32 T C -0.337 174.206 174.700 -0.261 0.000 1.003 32 T CA -0.543 61.387 62.100 -0.284 0.000 0.977 32 T CB 1.402 70.155 68.868 -0.191 0.000 0.996 32 T HN 0.570 nan 8.240 nan 0.000 0.448 33 R N 2.533 122.924 120.500 -0.181 0.000 2.548 33 R HA 0.301 4.641 4.340 -0.000 0.000 0.280 33 R C -1.222 175.014 176.300 -0.106 0.000 1.061 33 R CA -0.397 55.614 56.100 -0.148 0.000 0.915 33 R CB 1.006 31.219 30.300 -0.146 0.000 1.210 33 R HN 0.794 nan 8.270 nan 0.000 0.442 34 D N 2.717 123.062 120.400 -0.092 0.000 2.686 34 D HA -0.181 4.459 4.640 -0.000 0.000 0.235 34 D C 0.757 177.019 176.300 -0.063 0.000 1.160 34 D CA 2.128 56.084 54.000 -0.073 0.000 0.645 34 D CB -0.577 40.183 40.800 -0.067 0.000 1.039 34 D HN 1.015 nan 8.370 nan 0.000 0.423 35 G N -0.532 108.231 108.800 -0.062 0.000 2.187 35 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.261 35 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.261 35 G C 0.080 174.975 174.900 -0.008 0.000 1.000 35 G CA 0.627 45.704 45.100 -0.040 0.000 0.718 35 G HN 0.485 nan 8.290 nan 0.000 0.519 36 Q N -0.815 118.969 119.800 -0.026 0.000 2.375 36 Q HA 0.548 4.888 4.340 -0.000 0.000 0.271 36 Q C -0.277 175.728 176.000 0.009 0.000 1.074 36 Q CA -0.806 54.998 55.803 0.001 0.000 0.808 36 Q CB 2.763 31.442 28.738 -0.099 0.000 1.327 36 Q HN 0.149 nan 8.270 nan 0.000 0.441 37 V N 2.723 122.722 119.914 0.143 0.000 2.408 37 V HA 0.083 4.203 4.120 -0.000 0.000 0.267 37 V C 1.034 177.169 176.094 0.068 0.000 1.047 37 V CA 0.037 62.404 62.300 0.113 0.000 0.937 37 V CB 0.921 32.903 31.823 0.264 0.000 0.999 37 V HN 0.716 nan 8.190 nan 0.000 0.472 38 V N 1.884 121.774 119.914 -0.039 0.000 3.477 38 V HA 0.828 4.948 4.120 -0.000 0.000 0.297 38 V C 0.426 176.522 176.094 0.003 0.000 1.433 38 V CA 0.488 62.765 62.300 -0.038 0.000 1.052 38 V CB 0.105 31.871 31.823 -0.095 0.000 0.895 38 V HN 0.897 nan 8.190 nan 0.000 0.438 39 A N -0.710 122.112 122.820 0.003 0.000 2.605 39 A HA 0.762 5.082 4.320 -0.000 0.000 0.294 39 A C -0.556 177.142 177.584 0.189 0.000 1.062 39 A CA -0.152 51.946 52.037 0.101 0.000 0.682 39 A CB 1.577 20.609 19.000 0.053 0.000 1.278 39 A HN 0.136 nan 8.150 nan 0.000 0.410 40 T N 2.181 116.934 114.554 0.332 0.000 3.008 40 T HA 0.483 4.833 4.350 -0.000 0.000 0.328 40 T C -0.674 174.339 174.700 0.522 0.000 1.020 40 T CA -0.125 62.191 62.100 0.360 0.000 1.043 40 T CB 0.018 69.050 68.868 0.273 0.000 1.010 40 T HN 0.666 nan 8.240 nan 0.000 0.466 41 H N 0.510 119.744 119.070 0.272 0.000 2.630 41 H HA 0.666 5.222 4.556 -0.000 0.000 0.343 41 H C 0.786 176.157 175.328 0.071 0.000 1.232 41 H CA -1.422 54.719 56.048 0.154 0.000 1.294 41 H CB 1.314 31.054 29.762 -0.036 0.000 1.746 41 H HN 0.676 nan 8.280 nan 0.000 0.593 42 G N 0.269 109.176 108.800 0.178 0.000 2.370 42 G HA2 0.000 3.960 3.960 -0.000 0.000 0.272 42 G HA3 0.000 3.960 3.960 -0.000 0.000 0.272 42 G C -0.479 174.433 174.900 0.020 0.000 1.208 42 G CA -0.347 44.774 45.100 0.036 0.000 0.856 42 G HN 0.556 nan 8.290 nan 0.000 0.500 43 D N 1.966 122.367 120.400 0.002 0.000 2.383 43 D HA 0.069 4.709 4.640 -0.000 0.000 0.245 43 D C 1.962 178.256 176.300 -0.009 0.000 1.263 43 D CA -0.100 53.901 54.000 0.001 0.000 0.936 43 D CB 0.625 41.431 40.800 0.010 0.000 1.053 43 D HN 0.349 nan 8.370 nan 0.000 0.507 44 T N 0.800 115.343 114.554 -0.019 0.000 3.098 44 T HA -0.126 4.224 4.350 -0.000 0.000 0.266 44 T C 1.184 175.880 174.700 -0.007 0.000 1.145 44 T CA 0.716 62.805 62.100 -0.018 0.000 1.092 44 T CB 0.131 68.982 68.868 -0.028 0.000 0.908 44 T HN 0.229 nan 8.240 nan 0.000 0.526 45 Q N 0.493 120.293 119.800 -0.000 0.000 2.319 45 Q HA 0.472 4.812 4.340 -0.000 0.000 0.202 45 Q C 0.709 176.719 176.000 0.016 0.000 0.896 45 Q CA 0.061 55.870 55.803 0.009 0.000 0.942 45 Q CB 0.561 29.307 28.738 0.014 0.000 1.083 45 Q HN 0.728 nan 8.270 nan 0.000 0.510 46 A N 0.955 123.784 122.820 0.015 0.000 2.328 46 A HA 0.179 4.499 4.320 -0.000 0.000 0.284 46 A C 1.083 178.683 177.584 0.028 0.000 1.160 46 A CA -0.301 51.751 52.037 0.024 0.000 0.818 46 A CB 0.696 19.709 19.000 0.021 0.000 1.087 46 A HN -0.037 nan 8.150 nan 0.000 0.504 47 E N 1.734 121.954 120.200 0.032 0.000 2.110 47 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 47 E C 2.046 178.693 176.600 0.078 0.000 0.988 47 E CA 1.279 57.705 56.400 0.043 0.000 0.804 47 E CB -0.133 29.581 29.700 0.024 0.000 0.745 47 E HN 0.586 nan 8.360 nan 0.000 0.458 48 V N 3.117 123.094 119.914 0.105 0.000 2.215 48 V HA -0.334 3.786 4.120 -0.000 0.000 0.246 48 V C 2.143 178.275 176.094 0.062 0.000 1.047 48 V CA 2.401 64.806 62.300 0.175 0.000 0.999 48 V CB -0.721 31.235 31.823 0.222 0.000 0.635 48 V HN 0.387 nan 8.190 nan 0.000 0.450 49 N N -0.483 118.227 118.700 0.015 0.000 2.387 49 N HA -0.083 4.657 4.740 -0.000 0.000 0.176 49 N C 0.580 176.069 175.510 -0.034 0.000 1.022 49 N CA 0.247 53.274 53.050 -0.039 0.000 0.883 49 N CB -0.109 38.339 38.487 -0.064 0.000 1.019 49 N HN 0.436 nan 8.380 nan 0.000 0.435 50 R N 0.638 121.129 120.500 -0.015 0.000 3.144 50 R HA -0.116 4.224 4.340 -0.000 0.000 0.255 50 R C 0.687 176.973 176.300 -0.022 0.000 0.949 50 R CA 0.633 56.725 56.100 -0.013 0.000 0.649 50 R CB -2.266 28.028 30.300 -0.010 0.000 1.229 50 R HN 0.720 nan 8.270 nan 0.000 0.440 51 G N -1.128 107.658 108.800 -0.023 0.000 2.179 51 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.260 51 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.260 51 G C -0.158 174.738 174.900 -0.006 0.000 0.977 51 G CA 0.302 45.392 45.100 -0.017 0.000 0.641 51 G HN 0.231 nan 8.290 nan 0.000 0.533 52 L N 0.744 121.944 121.223 -0.039 0.000 2.346 52 L HA 0.645 4.985 4.340 -0.000 0.000 0.276 52 L C 0.205 176.968 176.870 -0.178 0.000 1.006 52 L CA -0.759 54.055 54.840 -0.044 0.000 0.817 52 L CB 1.708 43.742 42.059 -0.042 0.000 1.272 52 L HN 0.356 nan 8.230 nan 0.000 0.421 53 N N 0.515 118.984 118.700 -0.386 0.000 3.167 53 N HA 0.757 5.497 4.740 -0.000 0.000 0.323 53 N C -1.040 174.221 175.510 -0.416 0.000 1.478 53 N CA -0.862 51.838 53.050 -0.583 0.000 0.753 53 N CB 1.816 39.654 38.487 -1.082 0.000 1.721 53 N HN 0.684 nan 8.380 nan 0.000 0.618 54 C N -1.599 117.508 119.300 -0.323 0.000 2.768 54 C HA 0.533 4.993 4.460 -0.000 0.000 0.411 54 C C 2.022 177.020 174.990 0.013 0.000 1.793 54 C CA -0.647 58.319 59.018 -0.086 0.000 1.747 54 C CB -0.283 27.406 27.740 -0.084 0.000 2.128 54 C HN 0.567 nan 8.230 nan 0.000 0.472 55 V N 1.440 121.408 119.914 0.091 0.000 2.233 55 V HA -0.211 3.909 4.120 -0.000 0.000 0.247 55 V C 2.645 178.861 176.094 0.204 0.000 1.050 55 V CA 2.455 64.872 62.300 0.195 0.000 1.010 55 V CB -1.396 30.522 31.823 0.158 0.000 0.637 55 V HN 0.917 nan 8.190 nan 0.000 0.444 56 K N 0.914 121.346 120.400 0.053 0.000 2.160 56 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 56 K C 2.277 178.958 176.600 0.135 0.000 1.047 56 K CA 1.567 57.876 56.287 0.038 0.000 0.930 56 K CB -0.720 31.585 32.500 -0.326 0.000 0.720 56 K HN 0.602 nan 8.250 nan 0.000 0.450 57 G N 0.481 109.263 108.800 -0.031 0.000 2.414 57 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.215 57 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.215 57 G C 1.236 176.034 174.900 -0.170 0.000 1.188 57 G CA 0.585 45.588 45.100 -0.162 0.000 0.783 57 G HN 0.282 nan 8.290 nan 0.000 0.537 58 Y N -0.520 119.713 120.300 -0.111 0.000 2.333 58 Y HA 0.051 4.601 4.550 -0.000 0.000 0.290 58 Y C 1.644 177.371 175.900 -0.289 0.000 1.144 58 Y CA 0.440 58.401 58.100 -0.232 0.000 1.228 58 Y CB -0.116 38.095 38.460 -0.416 0.000 0.985 58 Y HN 0.167 nan 8.280 nan 0.000 0.542 59 F N -0.737 119.316 119.950 0.173 0.000 2.713 59 F HA 0.128 4.655 4.527 -0.000 0.000 0.294 59 F C 1.278 177.124 175.800 0.077 0.000 1.152 59 F CA -0.145 57.931 58.000 0.127 0.000 1.385 59 F CB -0.152 38.904 39.000 0.094 0.000 0.981 59 F HN 0.021 nan 8.300 nan 0.000 0.514 60 L N -0.339 120.956 121.223 0.121 0.000 2.201 60 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 60 L C 2.640 179.566 176.870 0.092 0.000 1.105 60 L CA 1.251 56.028 54.840 -0.104 0.000 0.775 60 L CB -0.508 41.320 42.059 -0.385 0.000 0.913 60 L HN 0.314 nan 8.230 nan 0.000 0.440 61 S N -0.186 115.655 115.700 0.235 0.000 2.420 61 S HA -0.221 4.249 4.470 -0.000 0.000 0.237 61 S C 1.607 176.425 174.600 0.363 0.000 1.023 61 S CA 1.080 59.468 58.200 0.313 0.000 0.991 61 S CB -0.297 63.071 63.200 0.280 0.000 0.792 61 S HN 0.461 nan 8.310 nan 0.000 0.488 62 K N 0.048 120.639 120.400 0.320 0.000 2.397 62 K HA 0.417 4.737 4.320 -0.000 0.000 0.202 62 K C 1.123 177.859 176.600 0.227 0.000 1.022 62 K CA -0.096 56.383 56.287 0.319 0.000 1.141 62 K CB 0.056 32.708 32.500 0.253 0.000 0.857 62 K HN 0.392 nan 8.250 nan 0.000 0.514 63 I N 1.130 121.780 120.570 0.133 0.000 2.406 63 I HA -0.140 4.029 4.170 -0.000 0.000 0.249 63 I C 1.877 178.049 176.117 0.091 0.000 1.122 63 I CA 1.129 62.472 61.300 0.071 0.000 1.431 63 I CB 0.133 38.080 38.000 -0.088 0.000 1.087 63 I HN 0.175 nan 8.210 nan 0.000 0.424 64 M N -1.020 118.498 119.600 -0.137 0.000 2.563 64 M HA 0.022 4.502 4.480 -0.000 0.000 0.231 64 M C 0.468 176.582 176.300 -0.311 0.000 1.136 64 M CA 0.906 56.029 55.300 -0.295 0.000 1.026 64 M CB -0.243 32.021 32.600 -0.561 0.000 1.597 64 M HN 0.202 nan 8.290 nan 0.000 0.495 65 Y N 0.544 120.971 120.300 0.212 0.000 2.636 65 Y HA 0.388 4.938 4.550 -0.000 0.000 0.260 65 Y C 1.558 177.554 175.900 0.160 0.000 1.177 65 Y CA -0.995 57.200 58.100 0.160 0.000 1.209 65 Y CB 0.232 38.756 38.460 0.106 0.000 1.166 65 Y HN 0.188 nan 8.280 nan 0.000 0.531 66 G N 1.229 110.232 108.800 0.338 0.000 2.554 66 G HA2 -0.014 3.945 3.960 -0.000 0.000 0.238 66 G HA3 -0.014 3.945 3.960 -0.000 0.000 0.238 66 G C 0.761 175.798 174.900 0.230 0.000 1.259 66 G CA -0.324 44.879 45.100 0.171 0.000 0.843 66 G HN 0.642 nan 8.290 nan 0.000 0.582 67 E N 0.353 120.626 120.200 0.123 0.000 2.516 67 E HA -0.056 4.294 4.350 -0.000 0.000 0.199 67 E C 0.278 176.948 176.600 0.115 0.000 1.069 67 E CA 0.619 57.084 56.400 0.109 0.000 0.876 67 E CB 0.208 29.943 29.700 0.057 0.000 0.843 67 E HN 0.373 nan 8.360 nan 0.000 0.530 68 D N 0.995 121.495 120.400 0.168 0.000 2.271 68 D HA -0.009 4.631 4.640 -0.000 0.000 0.206 68 D C 0.231 176.648 176.300 0.195 0.000 0.967 68 D CA 0.181 54.286 54.000 0.175 0.000 0.867 68 D CB -0.003 40.919 40.800 0.203 0.000 0.960 68 D HN -0.033 nan 8.370 nan 0.000 0.509 69 R N 1.365 122.016 120.500 0.252 0.000 3.651 69 R HA -0.139 4.201 4.340 -0.000 0.000 0.201 69 R C 0.060 176.349 176.300 -0.018 0.000 0.627 69 R CA 0.249 56.345 56.100 -0.007 0.000 0.952 69 R CB -0.923 29.360 30.300 -0.027 0.000 1.005 69 R HN 0.287 nan 8.270 nan 0.000 0.327 70 L N 3.166 124.354 121.223 -0.058 0.000 2.540 70 L HA -0.034 4.306 4.340 -0.000 0.000 0.276 70 L C 1.727 178.569 176.870 -0.047 0.000 1.212 70 L CA 0.613 55.423 54.840 -0.049 0.000 0.893 70 L CB 0.272 42.297 42.059 -0.057 0.000 1.138 70 L HN 0.700 nan 8.230 nan 0.000 0.491 71 T N -2.838 111.687 114.554 -0.048 0.000 2.958 71 T HA 0.148 4.498 4.350 -0.000 0.000 0.256 71 T C 0.526 175.181 174.700 -0.075 0.000 0.983 71 T CA -0.093 61.983 62.100 -0.039 0.000 0.924 71 T CB 0.469 69.323 68.868 -0.024 0.000 1.136 71 T HN 0.543 nan 8.240 nan 0.000 0.506 72 T N 3.112 117.588 114.554 -0.131 0.000 2.912 72 T HA 0.557 4.907 4.350 -0.000 0.000 0.299 72 T C -3.092 171.421 174.700 -0.311 0.000 1.052 72 T CA -1.454 60.510 62.100 -0.226 0.000 0.996 72 T CB 2.320 71.098 68.868 -0.150 0.000 1.070 72 T HN -0.165 nan 8.240 nan 0.000 0.465 73 P HA 0.311 nan 4.420 nan 0.000 0.269 73 P C -1.184 175.977 177.300 -0.232 0.000 1.209 73 P CA -0.554 62.254 63.100 -0.486 0.000 0.776 73 P CB 0.393 31.636 31.700 -0.761 0.000 0.876 74 L N 3.482 124.630 121.223 -0.125 0.000 2.377 74 L HA 0.388 4.727 4.340 -0.000 0.000 0.270 74 L C -0.314 176.708 176.870 0.254 0.000 0.991 74 L CA -0.576 54.290 54.840 0.042 0.000 0.851 74 L CB 0.563 42.591 42.059 -0.052 0.000 1.218 74 L HN 0.292 nan 8.230 nan 0.000 0.420 75 L N 3.700 125.049 121.223 0.211 0.000 2.375 75 L HA 0.516 4.856 4.340 -0.000 0.000 0.268 75 L C 0.642 177.627 176.870 0.192 0.000 1.058 75 L CA -0.145 54.814 54.840 0.199 0.000 0.803 75 L CB 0.889 43.015 42.059 0.110 0.000 1.212 75 L HN 0.468 nan 8.230 nan 0.000 0.451 76 R N 5.569 126.140 120.500 0.118 0.000 2.891 76 R HA 0.406 4.746 4.340 -0.000 0.000 0.248 76 R C -1.205 175.184 176.300 0.148 0.000 1.439 76 R CA -0.092 55.983 56.100 -0.041 0.000 1.288 76 R CB -0.289 29.938 30.300 -0.122 0.000 1.212 76 R HN 0.736 nan 8.270 nan 0.000 0.605 77 M N 1.584 121.243 119.600 0.098 0.000 4.045 77 M HA -0.200 4.279 4.480 -0.000 0.000 0.157 77 M C 0.714 177.091 176.300 0.127 0.000 1.532 77 M CA 0.121 55.482 55.300 0.100 0.000 1.096 77 M CB -0.161 32.492 32.600 0.089 0.000 1.346 77 M HN 0.491 nan 8.290 nan 0.000 0.192 78 K N 2.200 122.655 120.400 0.091 0.000 1.965 78 K HA -0.068 4.252 4.320 -0.000 0.000 0.214 78 K C 0.158 176.804 176.600 0.076 0.000 1.046 78 K CA 1.868 58.202 56.287 0.079 0.000 0.944 78 K CB 0.298 32.833 32.500 0.058 0.000 0.726 78 K HN 0.608 nan 8.250 nan 0.000 0.441 79 D N -3.163 117.274 120.400 0.061 0.000 2.419 79 D HA 0.454 5.093 4.640 -0.000 0.000 0.234 79 D C -0.282 176.045 176.300 0.045 0.000 1.014 79 D CA 0.594 54.626 54.000 0.053 0.000 0.919 79 D CB 1.993 42.816 40.800 0.040 0.000 1.366 79 D HN 0.434 nan 8.370 nan 0.000 0.490 80 G N -0.458 108.367 108.800 0.041 0.000 2.211 80 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.201 80 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.201 80 G C 0.716 175.641 174.900 0.043 0.000 0.997 80 G CA 0.238 45.353 45.100 0.026 0.000 0.652 80 G HN 1.022 nan 8.290 nan 0.000 0.500 81 V N -2.288 117.670 119.914 0.073 0.000 0.638 81 V HA 0.014 4.134 4.120 -0.000 0.000 0.092 81 V C -0.259 175.960 176.094 0.208 0.000 1.435 81 V CA 2.036 64.403 62.300 0.112 0.000 3.262 81 V CB -1.111 30.765 31.823 0.088 0.000 0.517 81 V HN 2.375 nan 8.190 nan 0.000 0.521 82 Y N 1.557 121.901 120.300 0.074 0.000 2.189 82 Y HA 0.606 5.156 4.550 -0.000 0.000 0.318 82 Y C -1.362 174.615 175.900 0.129 0.000 1.382 82 Y CA -0.063 58.090 58.100 0.089 0.000 1.442 82 Y CB 0.238 38.752 38.460 0.091 0.000 1.276 82 Y HN 0.719 nan 8.280 nan 0.000 0.413 83 H N 6.270 124.923 119.070 -0.696 0.000 2.782 83 H HA 0.362 4.917 4.556 -0.000 0.000 0.347 83 H C -1.228 173.750 175.328 -0.583 0.000 1.038 83 H CA -0.849 54.804 56.048 -0.657 0.000 1.255 83 H CB 1.919 31.508 29.762 -0.288 0.000 1.623 83 H HN 0.848 nan 8.280 nan 0.000 0.525 84 K N 3.947 123.846 120.400 -0.836 0.000 2.363 84 K HA 0.037 4.357 4.320 -0.000 0.000 0.289 84 K C -0.095 176.342 176.600 -0.271 0.000 1.063 84 K CA 0.559 56.621 56.287 -0.374 0.000 0.967 84 K CB 0.182 32.546 32.500 -0.226 0.000 0.987 84 K HN 0.904 nan 8.250 nan 0.000 0.473 85 E N 1.352 121.520 120.200 -0.054 0.000 4.392 85 E HA -0.086 4.264 4.350 -0.000 0.000 0.379 85 E C 0.095 176.753 176.600 0.097 0.000 0.645 85 E CA 0.180 56.617 56.400 0.062 0.000 1.534 85 E CB -1.143 28.655 29.700 0.164 0.000 1.832 85 E HN 0.893 nan 8.360 nan 0.000 0.328 86 G N 0.480 109.288 108.800 0.014 0.000 2.666 86 G HA2 0.496 4.455 3.960 -0.000 0.000 0.207 86 G HA3 0.496 4.455 3.960 -0.000 0.000 0.207 86 G C 0.196 175.039 174.900 -0.094 0.000 1.481 86 G CA 0.048 45.129 45.100 -0.032 0.000 1.071 86 G HN 0.130 nan 8.290 nan 0.000 0.572 87 E N -1.812 118.326 120.200 -0.103 0.000 2.518 87 E HA 0.642 4.992 4.350 -0.000 0.000 0.241 87 E C -1.662 174.849 176.600 -0.149 0.000 0.899 87 E CA -0.712 55.652 56.400 -0.060 0.000 0.888 87 E CB 1.764 31.472 29.700 0.013 0.000 1.426 87 E HN 0.252 nan 8.360 nan 0.000 0.401 88 F N -0.008 119.975 119.950 0.055 0.000 2.518 88 F HA 0.646 5.173 4.527 -0.000 0.000 0.323 88 F C -0.752 175.068 175.800 0.033 0.000 1.129 88 F CA -0.646 57.383 58.000 0.049 0.000 0.920 88 F CB 2.042 41.066 39.000 0.038 0.000 1.160 88 F HN 0.506 nan 8.300 nan 0.000 0.440 89 A N 5.351 128.325 122.820 0.256 0.000 2.435 89 A HA 0.850 5.170 4.320 -0.000 0.000 0.304 89 A C -2.926 174.713 177.584 0.093 0.000 1.064 89 A CA -2.094 50.026 52.037 0.139 0.000 0.727 89 A CB 1.585 20.643 19.000 0.097 0.000 1.284 89 A HN 0.386 nan 8.150 nan 0.000 0.415 90 P HA 0.350 nan 4.420 nan 0.000 0.269 90 P C -0.755 176.536 177.300 -0.015 0.000 1.217 90 P CA 0.083 63.177 63.100 -0.010 0.000 0.783 90 P CB 0.766 32.460 31.700 -0.010 0.000 0.898 91 V N 0.803 120.677 119.914 -0.066 0.000 3.036 91 V HA 0.251 4.371 4.120 -0.000 0.000 0.280 91 V C -0.313 175.712 176.094 -0.114 0.000 1.497 91 V CA -0.552 61.715 62.300 -0.054 0.000 0.982 91 V CB 2.036 33.843 31.823 -0.028 0.000 1.171 91 V HN 0.676 nan 8.190 nan 0.000 0.444 92 S N 4.208 119.879 115.700 -0.048 0.000 2.569 92 S HA 0.083 4.553 4.470 -0.000 0.000 0.274 92 S C 0.791 175.368 174.600 -0.037 0.000 1.353 92 S CA 1.050 59.237 58.200 -0.021 0.000 1.023 92 S CB 0.487 63.729 63.200 0.071 0.000 0.876 92 S HN 0.737 nan 8.310 nan 0.000 0.540 93 W N 1.426 122.749 121.300 0.037 0.000 2.333 93 W HA -0.092 4.568 4.660 -0.000 0.000 0.316 93 W C 2.367 178.909 176.519 0.039 0.000 1.215 93 W CA 1.300 58.648 57.345 0.005 0.000 1.278 93 W CB -0.361 29.201 29.460 0.169 0.000 1.154 93 W HN 0.763 nan 8.180 nan 0.000 0.486 94 D N 0.141 120.786 120.400 0.408 0.000 2.127 94 D HA -0.227 4.413 4.640 -0.000 0.000 0.190 94 D C 1.779 178.237 176.300 0.264 0.000 1.000 94 D CA 2.014 56.224 54.000 0.350 0.000 0.839 94 D CB -0.565 40.386 40.800 0.251 0.000 0.955 94 D HN 0.362 nan 8.370 nan 0.000 0.446 95 E N 0.728 121.028 120.200 0.166 0.000 2.049 95 E HA -0.200 4.150 4.350 -0.000 0.000 0.198 95 E C 2.188 178.857 176.600 0.115 0.000 1.007 95 E CA 1.129 57.598 56.400 0.115 0.000 0.809 95 E CB -0.153 29.588 29.700 0.068 0.000 0.749 95 E HN 0.217 nan 8.360 nan 0.000 0.450 96 A N 0.997 123.851 122.820 0.058 0.000 1.917 96 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 96 A C 1.945 179.622 177.584 0.154 0.000 1.182 96 A CA 1.463 53.503 52.037 0.004 0.000 0.633 96 A CB -0.703 18.177 19.000 -0.200 0.000 0.819 96 A HN 0.166 nan 8.150 nan 0.000 0.448 97 F N 0.465 120.565 119.950 0.249 0.000 2.206 97 F HA -0.056 4.470 4.527 -0.000 0.000 0.298 97 F C 2.033 177.964 175.800 0.218 0.000 1.090 97 F CA 0.894 59.067 58.000 0.289 0.000 1.323 97 F CB -0.799 38.414 39.000 0.355 0.000 1.028 97 F HN 0.218 nan 8.300 nan 0.000 0.492 98 D N 0.132 120.735 120.400 0.338 0.000 2.106 98 D HA -0.170 4.470 4.640 -0.000 0.000 0.191 98 D C 2.545 178.918 176.300 0.121 0.000 0.997 98 D CA 1.566 55.670 54.000 0.174 0.000 0.834 98 D CB -0.673 40.202 40.800 0.124 0.000 0.956 98 D HN 0.072 nan 8.370 nan 0.000 0.448 99 V N 0.776 120.753 119.914 0.106 0.000 2.295 99 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 99 V C 2.434 178.516 176.094 -0.020 0.000 1.049 99 V CA 1.416 63.720 62.300 0.007 0.000 1.024 99 V CB -0.426 31.386 31.823 -0.019 0.000 0.648 99 V HN 0.238 nan 8.190 nan 0.000 0.447 100 M N -0.384 119.319 119.600 0.171 0.000 2.374 100 M HA -0.106 4.374 4.480 -0.000 0.000 0.264 100 M C 1.996 178.587 176.300 0.485 0.000 1.067 100 M CA 1.732 57.231 55.300 0.331 0.000 1.103 100 M CB -0.159 32.632 32.600 0.319 0.000 1.402 100 M HN 0.414 nan 8.290 nan 0.000 0.444 101 A N -0.206 122.866 122.820 0.421 0.000 1.903 101 A HA 0.121 4.441 4.320 -0.000 0.000 0.213 101 A C 2.237 179.840 177.584 0.032 0.000 1.185 101 A CA 1.241 53.456 52.037 0.298 0.000 0.628 101 A CB -0.871 18.119 19.000 -0.016 0.000 0.830 101 A HN 0.541 nan 8.150 nan 0.000 0.446 102 A N -0.608 122.202 122.820 -0.017 0.000 1.865 102 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 102 A C 2.115 179.650 177.584 -0.081 0.000 1.191 102 A CA 1.776 53.770 52.037 -0.072 0.000 0.623 102 A CB -0.629 18.330 19.000 -0.069 0.000 0.826 102 A HN 0.480 nan 8.150 nan 0.000 0.444 103 Q N -0.419 119.302 119.800 -0.132 0.000 2.112 103 Q HA -0.220 4.120 4.340 -0.000 0.000 0.206 103 Q C 2.458 178.455 176.000 -0.006 0.000 0.987 103 Q CA 1.743 57.457 55.803 -0.147 0.000 0.858 103 Q CB -0.833 27.589 28.738 -0.527 0.000 0.905 103 Q HN 0.677 nan 8.270 nan 0.000 0.420 104 A N 1.674 124.437 122.820 -0.094 0.000 1.834 104 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 104 A C 2.115 179.567 177.584 -0.220 0.000 1.203 104 A CA 1.898 53.633 52.037 -0.504 0.000 0.621 104 A CB -0.594 18.069 19.000 -0.561 0.000 0.841 104 A HN 0.319 nan 8.150 nan 0.000 0.446 105 K N -0.730 119.630 120.400 -0.067 0.000 2.077 105 K HA -0.253 4.067 4.320 -0.000 0.000 0.213 105 K C 1.949 178.524 176.600 -0.042 0.000 1.051 105 K CA 1.770 58.039 56.287 -0.029 0.000 0.929 105 K CB -0.673 31.787 32.500 -0.066 0.000 0.715 105 K HN 0.495 nan 8.250 nan 0.000 0.451 106 L N 0.943 122.140 121.223 -0.043 0.000 1.943 106 L HA -0.188 4.152 4.340 -0.000 0.000 0.215 106 L C 2.075 178.938 176.870 -0.011 0.000 1.074 106 L CA 1.643 56.469 54.840 -0.022 0.000 0.759 106 L CB -0.812 41.237 42.059 -0.017 0.000 0.888 106 L HN -0.065 nan 8.230 nan 0.000 0.433 107 V N -0.014 119.900 119.914 -0.001 0.000 2.317 107 V HA -0.285 3.835 4.120 -0.000 0.000 0.251 107 V C 2.447 178.538 176.094 -0.004 0.000 1.065 107 V CA 1.878 64.192 62.300 0.024 0.000 1.049 107 V CB -0.949 30.926 31.823 0.086 0.000 0.651 107 V HN 0.511 nan 8.190 nan 0.000 0.450 108 L N -0.516 120.677 121.223 -0.049 0.000 2.762 108 L HA 0.073 4.413 4.340 -0.000 0.000 0.250 108 L C 1.501 178.367 176.870 -0.006 0.000 1.160 108 L CA 1.424 56.235 54.840 -0.048 0.000 0.951 108 L CB -0.702 41.286 42.059 -0.118 0.000 1.148 108 L HN 0.143 nan 8.230 nan 0.000 0.424 109 K N -1.931 118.468 120.400 -0.001 0.000 2.601 109 K HA 0.191 4.511 4.320 -0.000 0.000 0.214 109 K C 1.301 177.903 176.600 0.004 0.000 1.628 109 K CA 0.156 56.446 56.287 0.006 0.000 1.036 109 K CB 0.661 33.163 32.500 0.004 0.000 1.352 109 K HN 0.208 nan 8.250 nan 0.000 0.607 110 E N 0.640 120.842 120.200 0.004 0.000 2.201 110 E HA 0.098 4.448 4.350 -0.000 0.000 0.193 110 E C 0.701 177.301 176.600 -0.000 0.000 0.957 110 E CA 0.746 57.148 56.400 0.004 0.000 0.858 110 E CB 0.587 30.292 29.700 0.009 0.000 0.816 110 E HN 0.035 nan 8.360 nan 0.000 0.475 111 K N -0.953 119.448 120.400 0.001 0.000 2.529 111 K HA 0.302 4.621 4.320 -0.000 0.000 0.215 111 K C -0.020 176.570 176.600 -0.018 0.000 1.286 111 K CA 0.467 56.748 56.287 -0.010 0.000 0.997 111 K CB 1.886 34.386 32.500 -0.001 0.000 1.063 111 K HN 0.106 nan 8.250 nan 0.000 0.590 112 A N 1.562 124.381 122.820 -0.001 0.000 6.365 112 A HA -0.186 4.134 4.320 -0.000 0.000 0.240 112 A C -2.022 175.583 177.584 0.036 0.000 2.238 112 A CA 0.101 52.144 52.037 0.010 0.000 0.699 112 A CB -1.983 17.015 19.000 -0.004 0.000 0.959 112 A HN 0.092 nan 8.150 nan 0.000 0.362 113 P HA -0.180 nan 4.420 nan 0.000 0.218 113 P C 0.763 178.210 177.300 0.245 0.000 1.154 113 P CA 2.095 65.333 63.100 0.231 0.000 0.872 113 P CB -0.393 31.560 31.700 0.422 0.000 0.790 114 E N -1.096 119.063 120.200 -0.069 0.000 2.482 114 E HA 0.084 4.433 4.350 -0.000 0.000 0.200 114 E C 1.284 177.909 176.600 0.041 0.000 1.147 114 E CA 0.486 56.784 56.400 -0.170 0.000 0.912 114 E CB -0.310 29.053 29.700 -0.560 0.000 0.938 114 E HN 0.299 nan 8.360 nan 0.000 0.519 115 A N 0.558 123.443 122.820 0.109 0.000 2.340 115 A HA 0.131 4.451 4.320 -0.000 0.000 0.213 115 A C 0.912 178.630 177.584 0.223 0.000 1.299 115 A CA -0.245 51.869 52.037 0.128 0.000 0.994 115 A CB 0.540 19.586 19.000 0.078 0.000 1.132 115 A HN 0.106 nan 8.150 nan 0.000 0.519 116 V N -1.465 118.608 119.914 0.266 0.000 2.644 116 V HA 0.839 4.959 4.120 -0.000 0.000 0.295 116 V C 0.226 176.595 176.094 0.457 0.000 1.053 116 V CA -0.023 62.505 62.300 0.380 0.000 0.987 116 V CB 1.018 32.974 31.823 0.223 0.000 1.006 116 V HN 0.629 nan 8.190 nan 0.000 0.472 117 G N 3.218 112.360 108.800 0.570 0.000 2.746 117 G HA2 0.618 4.578 3.960 -0.000 0.000 0.297 117 G HA3 0.618 4.578 3.960 -0.000 0.000 0.297 117 G C -1.298 173.857 174.900 0.424 0.000 1.426 117 G CA -0.878 44.551 45.100 0.550 0.000 0.989 117 G HN 0.651 nan 8.290 nan 0.000 0.520 118 M N 1.181 120.975 119.600 0.323 0.000 2.578 118 M HA 0.575 5.055 4.480 -0.000 0.000 0.321 118 M C -1.644 174.744 176.300 0.146 0.000 1.182 118 M CA -0.826 54.576 55.300 0.170 0.000 0.965 118 M CB 2.663 35.429 32.600 0.276 0.000 1.694 118 M HN 0.437 nan 8.290 nan 0.000 0.461 119 F N 1.373 121.178 119.950 -0.242 0.000 2.646 119 F HA 0.573 5.100 4.527 -0.000 0.000 0.364 119 F C 0.094 175.669 175.800 -0.375 0.000 1.137 119 F CA -0.691 57.180 58.000 -0.215 0.000 1.085 119 F CB 0.694 39.591 39.000 -0.172 0.000 1.331 119 F HN 0.562 nan 8.300 nan 0.000 0.472 120 G N 1.823 110.153 108.800 -0.783 0.000 2.510 120 G HA2 0.579 4.539 3.960 -0.000 0.000 0.280 120 G HA3 0.579 4.539 3.960 -0.000 0.000 0.280 120 G C -0.786 173.418 174.900 -1.160 0.000 1.386 120 G CA -0.077 44.154 45.100 -1.448 0.000 1.047 120 G HN 0.821 nan 8.290 nan 0.000 0.527 121 S N -3.191 111.883 115.700 -1.043 0.000 2.596 121 S HA 0.529 4.999 4.470 -0.000 0.000 0.270 121 S C 0.613 175.113 174.600 -0.166 0.000 1.155 121 S CA 0.160 58.053 58.200 -0.513 0.000 0.827 121 S CB 1.352 64.321 63.200 -0.385 0.000 1.130 121 S HN 1.320 nan 8.310 nan 0.000 0.467 122 G N -0.197 108.568 108.800 -0.059 0.000 3.061 122 G HA2 0.145 4.105 3.960 -0.000 0.000 0.208 122 G HA3 0.145 4.105 3.960 -0.000 0.000 0.208 122 G C 0.588 175.526 174.900 0.064 0.000 1.175 122 G CA -0.001 45.132 45.100 0.055 0.000 0.812 122 G HN 0.720 nan 8.290 nan 0.000 0.523 123 Q N -1.350 118.503 119.800 0.088 0.000 2.281 123 Q HA 0.103 4.442 4.340 -0.000 0.000 0.215 123 Q C 0.193 176.428 176.000 0.392 0.000 0.867 123 Q CA -0.675 55.219 55.803 0.153 0.000 0.940 123 Q CB 0.685 29.526 28.738 0.171 0.000 1.111 123 Q HN 0.371 nan 8.270 nan 0.000 0.513 124 W N 2.119 123.522 121.300 0.171 0.000 2.150 124 W HA 0.130 4.790 4.660 -0.000 0.000 0.341 124 W C 0.600 177.241 176.519 0.204 0.000 1.276 124 W CA -0.254 57.172 57.345 0.134 0.000 1.238 124 W CB 0.663 30.128 29.460 0.009 0.000 1.128 124 W HN -0.170 nan 8.180 nan 0.000 0.581 125 T N 4.566 119.270 114.554 0.249 0.000 2.860 125 T HA 0.093 4.443 4.350 -0.000 0.000 0.299 125 T C 1.954 176.444 174.700 -0.350 0.000 1.045 125 T CA -0.461 61.508 62.100 -0.219 0.000 1.071 125 T CB 0.704 69.203 68.868 -0.615 0.000 0.985 125 T HN 0.258 nan 8.240 nan 0.000 0.537 126 I N 0.130 120.345 120.570 -0.592 0.000 2.145 126 I HA -0.246 3.924 4.170 -0.000 0.000 0.244 126 I C 2.030 177.921 176.117 -0.377 0.000 1.075 126 I CA 1.889 62.907 61.300 -0.469 0.000 1.332 126 I CB -0.247 37.484 38.000 -0.449 0.000 1.033 126 I HN 0.841 nan 8.210 nan 0.000 0.410 127 W N 0.826 122.009 121.300 -0.194 0.000 2.800 127 W HA 0.072 4.732 4.660 -0.000 0.000 0.249 127 W C 1.873 178.244 176.519 -0.246 0.000 1.294 127 W CA 0.021 57.275 57.345 -0.151 0.000 1.402 127 W CB -1.027 28.374 29.460 -0.098 0.000 1.126 127 W HN 0.050 nan 8.180 nan 0.000 0.652 128 E N 0.761 120.851 120.200 -0.183 0.000 2.112 128 E HA -0.021 4.329 4.350 -0.000 0.000 0.190 128 E C 2.502 178.480 176.600 -1.036 0.000 0.979 128 E CA 1.118 57.199 56.400 -0.531 0.000 0.814 128 E CB -0.474 28.885 29.700 -0.568 0.000 0.762 128 E HN 0.453 nan 8.360 nan 0.000 0.460 129 G N 0.191 108.542 108.800 -0.748 0.000 2.511 129 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 129 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 129 G C 1.276 175.951 174.900 -0.375 0.000 1.133 129 G CA 0.144 44.857 45.100 -0.646 0.000 0.792 129 G HN 0.251 nan 8.290 nan 0.000 0.539 130 Y N 1.384 121.435 120.300 -0.415 0.000 2.176 130 Y HA 0.163 4.712 4.550 -0.000 0.000 0.291 130 Y C 2.966 178.712 175.900 -0.257 0.000 1.122 130 Y CA 1.180 59.100 58.100 -0.300 0.000 1.128 130 Y CB 0.008 38.309 38.460 -0.265 0.000 1.005 130 Y HN 0.223 nan 8.280 nan 0.000 0.509 131 A N 0.693 123.349 122.820 -0.274 0.000 1.948 131 A HA -0.243 4.077 4.320 -0.000 0.000 0.220 131 A C 2.273 179.668 177.584 -0.314 0.000 1.177 131 A CA 1.975 53.861 52.037 -0.251 0.000 0.636 131 A CB -1.412 17.431 19.000 -0.262 0.000 0.815 131 A HN 0.634 nan 8.150 nan 0.000 0.449 132 A N -1.097 121.443 122.820 -0.466 0.000 1.855 132 A HA -0.060 4.260 4.320 -0.000 0.000 0.215 132 A C 2.472 179.896 177.584 -0.267 0.000 1.191 132 A CA 2.026 53.823 52.037 -0.400 0.000 0.613 132 A CB -1.119 17.467 19.000 -0.691 0.000 0.829 132 A HN 0.546 nan 8.150 nan 0.000 0.442 133 S N -0.564 114.973 115.700 -0.270 0.000 2.365 133 S HA -0.252 4.218 4.470 -0.000 0.000 0.225 133 S C 2.105 176.514 174.600 -0.318 0.000 1.039 133 S CA 2.160 60.260 58.200 -0.167 0.000 1.033 133 S CB -0.334 62.831 63.200 -0.057 0.000 0.887 133 S HN 0.559 nan 8.310 nan 0.000 0.447 134 K N 0.075 120.076 120.400 -0.665 0.000 1.991 134 K HA -0.132 4.188 4.320 -0.000 0.000 0.212 134 K C 2.114 178.326 176.600 -0.647 0.000 1.049 134 K CA 1.703 57.357 56.287 -1.055 0.000 0.932 134 K CB -0.485 31.238 32.500 -1.294 0.000 0.717 134 K HN 0.344 nan 8.250 nan 0.000 0.441 135 L N 0.767 121.707 121.223 -0.471 0.000 2.042 135 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 135 L C 2.033 178.651 176.870 -0.420 0.000 1.076 135 L CA 1.817 56.400 54.840 -0.429 0.000 0.749 135 L CB -0.354 41.564 42.059 -0.234 0.000 0.893 135 L HN 0.264 nan 8.230 nan 0.000 0.432 136 M N -1.020 118.467 119.600 -0.189 0.000 2.200 136 M HA -0.105 4.375 4.480 -0.000 0.000 0.265 136 M C 2.395 178.702 176.300 0.013 0.000 1.066 136 M CA 1.583 56.890 55.300 0.012 0.000 1.127 136 M CB -0.773 31.894 32.600 0.112 0.000 1.379 136 M HN 0.313 nan 8.290 nan 0.000 0.420 137 R N -0.724 119.738 120.500 -0.065 0.000 2.056 137 R HA 0.224 4.564 4.340 -0.000 0.000 0.215 137 R C 2.260 178.548 176.300 -0.021 0.000 1.205 137 R CA 0.937 57.028 56.100 -0.015 0.000 1.020 137 R CB -0.679 29.648 30.300 0.046 0.000 0.911 137 R HN 0.272 nan 8.270 nan 0.000 0.451 138 A N 0.968 123.744 122.820 -0.074 0.000 2.019 138 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 138 A C 1.919 179.525 177.584 0.037 0.000 1.164 138 A CA 1.841 53.842 52.037 -0.061 0.000 0.644 138 A CB -0.936 17.957 19.000 -0.178 0.000 0.805 138 A HN 0.471 nan 8.150 nan 0.000 0.449 139 G N -1.355 107.386 108.800 -0.099 0.000 2.558 139 G HA2 0.125 4.085 3.960 -0.000 0.000 0.218 139 G HA3 0.125 4.085 3.960 -0.000 0.000 0.218 139 G C 1.059 176.013 174.900 0.090 0.000 1.567 139 G CA 0.392 45.425 45.100 -0.113 0.000 0.950 139 G HN 0.406 nan 8.290 nan 0.000 0.517 140 F N 0.862 120.791 119.950 -0.034 0.000 2.722 140 F HA 0.137 4.664 4.527 -0.000 0.000 0.298 140 F C 1.202 177.061 175.800 0.099 0.000 1.175 140 F CA 0.125 58.112 58.000 -0.021 0.000 1.462 140 F CB 0.002 38.961 39.000 -0.068 0.000 1.111 140 F HN 0.034 nan 8.300 nan 0.000 0.592 141 R N 0.801 121.450 120.500 0.249 0.000 3.333 141 R HA -0.197 4.143 4.340 -0.000 0.000 0.256 141 R C -0.303 176.174 176.300 0.294 0.000 1.010 141 R CA 0.619 56.833 56.100 0.190 0.000 0.680 141 R CB -1.850 28.556 30.300 0.177 0.000 1.102 141 R HN 0.217 nan 8.270 nan 0.000 0.440 142 S N -0.299 115.545 115.700 0.239 0.000 2.557 142 S HA 0.404 4.874 4.470 -0.000 0.000 0.291 142 S C 0.241 174.770 174.600 -0.118 0.000 1.116 142 S CA -0.943 57.413 58.200 0.261 0.000 0.992 142 S CB 1.303 64.785 63.200 0.471 0.000 1.028 142 S HN 0.271 nan 8.310 nan 0.000 0.484 143 N N 3.819 122.100 118.700 -0.699 0.000 2.327 143 N HA 0.152 4.892 4.740 -0.000 0.000 0.231 143 N C -0.124 175.307 175.510 -0.133 0.000 1.130 143 N CA 0.008 52.780 53.050 -0.463 0.000 0.845 143 N CB -0.153 37.921 38.487 -0.688 0.000 1.073 143 N HN 0.679 nan 8.380 nan 0.000 0.496 144 N N 0.857 119.617 118.700 0.099 0.000 2.484 144 N HA 0.028 4.768 4.740 -0.000 0.000 0.245 144 N C -0.667 175.016 175.510 0.288 0.000 1.184 144 N CA -0.151 53.077 53.050 0.295 0.000 0.884 144 N CB 0.183 38.933 38.487 0.438 0.000 1.182 144 N HN 0.071 nan 8.380 nan 0.000 0.493 145 L N 0.575 121.926 121.223 0.213 0.000 2.276 145 L HA 0.467 4.807 4.340 -0.000 0.000 0.286 145 L C -1.011 175.972 176.870 0.189 0.000 1.024 145 L CA -0.201 54.765 54.840 0.210 0.000 0.826 145 L CB 1.043 43.201 42.059 0.165 0.000 1.211 145 L HN -0.101 nan 8.230 nan 0.000 0.422 146 D N 6.365 126.891 120.400 0.210 0.000 2.601 146 D HA 0.688 5.328 4.640 -0.000 0.000 0.230 146 D C -2.889 173.315 176.300 -0.160 0.000 1.106 146 D CA -1.296 52.782 54.000 0.131 0.000 0.873 146 D CB 3.102 44.104 40.800 0.337 0.000 1.515 146 D HN 0.327 nan 8.370 nan 0.000 0.468 147 P HA 0.267 nan 4.420 nan 0.000 0.292 147 P C -0.038 176.731 177.300 -0.885 0.000 1.304 147 P CA -0.413 62.197 63.100 -0.817 0.000 0.848 147 P CB 1.161 32.388 31.700 -0.789 0.000 1.260 148 N N -0.249 117.910 118.700 -0.902 0.000 2.457 148 N HA -0.075 4.665 4.740 -0.000 0.000 0.180 148 N C 1.495 176.878 175.510 -0.212 0.000 1.050 148 N CA 1.056 53.800 53.050 -0.510 0.000 0.906 148 N CB -1.545 36.763 38.487 -0.298 0.000 0.968 148 N HN 0.357 nan 8.380 nan 0.000 0.445 149 A N 0.956 123.650 122.820 -0.209 0.000 2.178 149 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 149 A C 2.277 179.998 177.584 0.228 0.000 1.157 149 A CA 1.055 53.117 52.037 0.042 0.000 0.689 149 A CB -0.696 18.343 19.000 0.065 0.000 0.787 149 A HN 0.361 nan 8.150 nan 0.000 0.465 150 R N -0.791 119.777 120.500 0.114 0.000 2.115 150 R HA -0.141 4.199 4.340 -0.000 0.000 0.230 150 R C 1.694 178.174 176.300 0.300 0.000 1.111 150 R CA 1.658 57.927 56.100 0.282 0.000 0.976 150 R CB -0.377 30.047 30.300 0.207 0.000 0.870 150 R HN 0.613 nan 8.270 nan 0.000 0.445 151 H N -1.493 117.746 119.070 0.281 0.000 2.529 151 H HA -0.014 4.542 4.556 -0.000 0.000 0.277 151 H C 1.766 177.260 175.328 0.276 0.000 0.999 151 H CA 0.976 57.215 56.048 0.317 0.000 1.256 151 H CB -0.254 29.688 29.762 0.300 0.000 1.402 151 H HN 0.340 nan 8.280 nan 0.000 0.566 152 C N -0.308 119.193 119.300 0.336 0.000 2.508 152 C HA 0.120 4.580 4.460 -0.000 0.000 0.303 152 C C 1.928 177.090 174.990 0.286 0.000 1.496 152 C CA 0.094 59.278 59.018 0.277 0.000 2.041 152 C CB -0.347 27.525 27.740 0.220 0.000 2.011 152 C HN 0.266 nan 8.230 nan 0.000 0.655 153 M N 1.435 121.220 119.600 0.308 0.000 2.333 153 M HA 0.320 4.800 4.480 -0.000 0.000 0.257 153 M C 1.937 178.404 176.300 0.277 0.000 1.078 153 M CA 0.638 56.118 55.300 0.299 0.000 1.005 153 M CB -1.411 31.374 32.600 0.308 0.000 1.444 153 M HN 0.514 nan 8.290 nan 0.000 0.496 154 A N 0.572 123.569 122.820 0.295 0.000 1.869 154 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 154 A C 2.451 180.123 177.584 0.147 0.000 1.203 154 A CA 2.635 54.793 52.037 0.202 0.000 0.638 154 A CB -0.985 18.158 19.000 0.239 0.000 0.831 154 A HN 0.442 nan 8.150 nan 0.000 0.450 155 S N -0.264 115.533 115.700 0.161 0.000 2.369 155 S HA -0.210 4.260 4.470 -0.000 0.000 0.225 155 S C 2.323 177.002 174.600 0.132 0.000 1.043 155 S CA 1.801 60.075 58.200 0.123 0.000 1.074 155 S CB -0.726 62.558 63.200 0.140 0.000 0.962 155 S HN 0.917 nan 8.310 nan 0.000 0.433 156 A N 1.343 124.286 122.820 0.204 0.000 1.902 156 A HA 0.087 4.407 4.320 -0.000 0.000 0.217 156 A C 2.363 180.093 177.584 0.243 0.000 1.181 156 A CA 1.865 54.028 52.037 0.210 0.000 0.623 156 A CB -1.109 18.055 19.000 0.274 0.000 0.818 156 A HN 0.549 nan 8.150 nan 0.000 0.443 157 A N -1.221 121.784 122.820 0.307 0.000 1.873 157 A HA -0.063 4.257 4.320 -0.000 0.000 0.215 157 A C 2.316 180.053 177.584 0.256 0.000 1.186 157 A CA 2.255 54.507 52.037 0.359 0.000 0.616 157 A CB -1.292 17.787 19.000 0.133 0.000 0.823 157 A HN 0.412 nan 8.150 nan 0.000 0.442 158 T N 0.349 114.983 114.554 0.133 0.000 2.652 158 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 158 T C 2.217 176.967 174.700 0.083 0.000 1.039 158 T CA 1.906 64.058 62.100 0.088 0.000 1.153 158 T CB -0.506 68.389 68.868 0.045 0.000 0.863 158 T HN 0.605 nan 8.240 nan 0.000 0.428 159 A N 0.298 123.120 122.820 0.004 0.000 1.972 159 A HA -0.013 4.306 4.320 -0.000 0.000 0.219 159 A C 2.034 179.575 177.584 -0.071 0.000 1.169 159 A CA 1.247 53.153 52.037 -0.218 0.000 0.635 159 A CB -1.050 17.728 19.000 -0.370 0.000 0.810 159 A HN 0.532 nan 8.150 nan 0.000 0.446 160 F N -0.627 119.376 119.950 0.088 0.000 2.043 160 F HA -0.303 4.224 4.527 -0.000 0.000 0.297 160 F C 2.708 178.579 175.800 0.119 0.000 1.121 160 F CA 1.550 59.637 58.000 0.144 0.000 1.199 160 F CB -0.188 38.896 39.000 0.141 0.000 0.968 160 F HN 0.134 nan 8.300 nan 0.000 0.478 161 M N 0.178 119.966 119.600 0.315 0.000 2.065 161 M HA -0.227 4.253 4.480 -0.000 0.000 0.259 161 M C 2.108 178.479 176.300 0.119 0.000 1.071 161 M CA 1.788 57.204 55.300 0.193 0.000 1.109 161 M CB -1.514 31.180 32.600 0.156 0.000 1.313 161 M HN 0.095 nan 8.290 nan 0.000 0.408 162 R N -0.117 120.446 120.500 0.105 0.000 2.115 162 R HA -0.175 4.165 4.340 -0.000 0.000 0.239 162 R C 2.242 178.545 176.300 0.005 0.000 1.133 162 R CA 2.385 58.543 56.100 0.096 0.000 0.935 162 R CB -1.291 29.149 30.300 0.233 0.000 0.853 162 R HN 0.632 nan 8.270 nan 0.000 0.433 163 T N -2.127 112.376 114.554 -0.085 0.000 2.942 163 T HA -0.003 4.347 4.350 -0.000 0.000 0.265 163 T C 1.470 175.688 174.700 -0.803 0.000 1.062 163 T CA 0.861 62.666 62.100 -0.490 0.000 1.139 163 T CB -0.036 68.338 68.868 -0.822 0.000 0.883 163 T HN 0.171 nan 8.240 nan 0.000 0.468 164 F N 0.748 120.576 119.950 -0.204 0.000 2.728 164 F HA 0.534 5.061 4.527 -0.000 0.000 0.314 164 F C 1.949 177.679 175.800 -0.116 0.000 1.094 164 F CA -0.271 57.585 58.000 -0.240 0.000 1.217 164 F CB 0.302 39.193 39.000 -0.182 0.000 1.056 164 F HN 0.329 nan 8.300 nan 0.000 0.577 165 G N 1.205 110.075 108.800 0.117 0.000 2.166 165 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.260 165 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.260 165 G C 0.111 175.102 174.900 0.152 0.000 0.986 165 G CA 0.559 45.725 45.100 0.110 0.000 0.683 165 G HN 0.340 nan 8.290 nan 0.000 0.527 166 M N -0.290 119.425 119.600 0.191 0.000 2.413 166 M HA 0.333 4.813 4.480 -0.000 0.000 0.287 166 M C -1.250 175.098 176.300 0.080 0.000 1.186 166 M CA -0.778 54.626 55.300 0.174 0.000 0.927 166 M CB 1.841 34.550 32.600 0.180 0.000 1.715 166 M HN 0.112 nan 8.290 nan 0.000 0.478 167 D N 2.237 122.650 120.400 0.022 0.000 2.398 167 D HA 0.314 4.954 4.640 -0.000 0.000 0.247 167 D C -0.711 175.177 176.300 -0.687 0.000 1.227 167 D CA 1.171 54.999 54.000 -0.287 0.000 0.980 167 D CB 0.789 41.570 40.800 -0.031 0.000 1.106 167 D HN 0.522 nan 8.370 nan 0.000 0.493 168 E N -1.620 117.815 120.200 -1.276 0.000 8.706 168 E HA -0.142 4.208 4.350 -0.000 0.000 0.467 168 E C -2.460 173.437 176.600 -1.172 0.000 1.156 168 E CA -0.059 55.747 56.400 -0.990 0.000 2.010 168 E CB -1.675 27.791 29.700 -0.389 0.000 1.008 168 E HN 0.337 nan 8.360 nan 0.000 0.266 169 P HA 0.018 nan 4.420 nan 0.000 0.270 169 P C 1.054 178.158 177.300 -0.327 0.000 1.223 169 P CA -0.027 62.938 63.100 -0.224 0.000 0.785 169 P CB 0.289 31.736 31.700 -0.422 0.000 0.923 170 M N -0.524 118.963 119.600 -0.188 0.000 2.414 170 M HA 0.306 4.786 4.480 -0.000 0.000 0.251 170 M C 0.647 176.898 176.300 -0.082 0.000 1.116 170 M CA 0.554 55.706 55.300 -0.248 0.000 1.056 170 M CB -1.000 31.537 32.600 -0.107 0.000 1.388 170 M HN 0.210 nan 8.290 nan 0.000 0.487 171 G N 1.222 110.042 108.800 0.034 0.000 2.702 171 G HA2 0.642 4.602 3.960 -0.000 0.000 0.254 171 G HA3 0.642 4.602 3.960 -0.000 0.000 0.254 171 G C -0.750 174.086 174.900 -0.107 0.000 1.380 171 G CA 0.078 45.236 45.100 0.097 0.000 1.042 171 G HN 0.745 nan 8.290 nan 0.000 0.557 172 C N -4.054 115.104 119.300 -0.237 0.000 3.275 172 C HA 0.461 4.920 4.460 -0.000 0.000 0.340 172 C C 0.977 175.725 174.990 -0.403 0.000 1.366 172 C CA -1.116 57.669 59.018 -0.388 0.000 1.227 172 C CB -0.273 27.043 27.740 -0.706 0.000 1.512 172 C HN 0.855 nan 8.230 nan 0.000 0.461 173 Y N 0.184 120.265 120.300 -0.366 0.000 2.283 173 Y HA -0.241 4.309 4.550 -0.000 0.000 0.285 173 Y C 1.884 177.777 175.900 -0.012 0.000 1.176 173 Y CA 1.684 59.703 58.100 -0.136 0.000 1.229 173 Y CB -0.282 38.260 38.460 0.136 0.000 0.975 173 Y HN 0.780 nan 8.280 nan 0.000 0.537 174 D N 0.200 120.626 120.400 0.043 0.000 2.271 174 D HA -0.167 4.473 4.640 -0.000 0.000 0.207 174 D C 1.474 177.869 176.300 0.157 0.000 0.983 174 D CA 1.350 55.397 54.000 0.078 0.000 0.878 174 D CB -0.216 40.519 40.800 -0.109 0.000 0.920 174 D HN 0.326 nan 8.370 nan 0.000 0.479 175 D N -0.629 119.794 120.400 0.039 0.000 2.178 175 D HA -0.128 4.512 4.640 -0.000 0.000 0.202 175 D C 1.737 178.014 176.300 -0.038 0.000 0.974 175 D CA 0.489 54.485 54.000 -0.006 0.000 0.841 175 D CB -0.313 40.402 40.800 -0.142 0.000 0.953 175 D HN 0.331 nan 8.370 nan 0.000 0.478 176 F N 1.096 121.104 119.950 0.097 0.000 2.154 176 F HA -0.189 4.338 4.527 -0.000 0.000 0.301 176 F C 2.206 178.127 175.800 0.201 0.000 1.087 176 F CA 0.964 59.084 58.000 0.201 0.000 1.274 176 F CB 0.000 39.035 39.000 0.059 0.000 1.009 176 F HN -0.095 nan 8.300 nan 0.000 0.485 177 E N -0.611 119.768 120.200 0.300 0.000 2.442 177 E HA 0.086 4.436 4.350 -0.000 0.000 0.195 177 E C 1.820 178.508 176.600 0.146 0.000 1.030 177 E CA 0.662 57.190 56.400 0.214 0.000 0.869 177 E CB -0.045 29.759 29.700 0.173 0.000 0.857 177 E HN 0.306 nan 8.360 nan 0.000 0.505 178 A N 0.494 123.374 122.820 0.100 0.000 2.085 178 A HA 0.507 4.827 4.320 -0.000 0.000 0.208 178 A C 1.381 178.939 177.584 -0.045 0.000 1.191 178 A CA 0.369 52.424 52.037 0.029 0.000 0.799 178 A CB -0.072 18.943 19.000 0.024 0.000 0.877 178 A HN 0.214 nan 8.150 nan 0.000 0.473 179 A N 0.165 122.903 122.820 -0.136 0.000 2.536 179 A HA 0.275 4.595 4.320 -0.000 0.000 0.234 179 A C 0.449 177.874 177.584 -0.265 0.000 1.076 179 A CA 0.672 52.493 52.037 -0.359 0.000 0.769 179 A CB 0.120 18.565 19.000 -0.926 0.000 1.020 179 A HN 0.301 nan 8.150 nan 0.000 0.508 180 D N -0.579 119.673 120.400 -0.247 0.000 2.449 180 D HA 0.443 5.082 4.640 -0.000 0.000 0.210 180 D C 0.045 176.284 176.300 -0.101 0.000 1.094 180 D CA 1.452 55.454 54.000 0.003 0.000 0.846 180 D CB 0.706 41.586 40.800 0.132 0.000 1.003 180 D HN 0.887 nan 8.370 nan 0.000 0.504 181 A N 0.172 122.680 122.820 -0.521 0.000 2.596 181 A HA 0.451 4.771 4.320 -0.000 0.000 0.305 181 A C -1.836 174.879 177.584 -1.448 0.000 1.032 181 A CA -0.728 50.896 52.037 -0.688 0.000 0.776 181 A CB 0.031 18.897 19.000 -0.223 0.000 1.253 181 A HN -0.060 nan 8.150 nan 0.000 0.402 182 F N 1.100 120.569 119.950 -0.802 0.000 2.436 182 F HA 0.628 5.155 4.527 -0.000 0.000 0.340 182 F C 0.315 175.813 175.800 -0.503 0.000 1.113 182 F CA -0.808 56.807 58.000 -0.642 0.000 1.022 182 F CB 2.229 41.087 39.000 -0.237 0.000 1.128 182 F HN 0.308 nan 8.300 nan 0.000 0.466 183 V N 4.898 124.669 119.914 -0.239 0.000 2.378 183 V HA 0.343 4.463 4.120 -0.000 0.000 0.288 183 V C -0.586 175.590 176.094 0.136 0.000 1.016 183 V CA -0.641 61.690 62.300 0.053 0.000 0.840 183 V CB 1.717 33.767 31.823 0.378 0.000 0.994 183 V HN 0.525 nan 8.190 nan 0.000 0.431 184 L N 5.558 126.806 121.223 0.040 0.000 2.287 184 L HA 0.423 4.763 4.340 -0.000 0.000 0.280 184 L C -0.540 176.311 176.870 -0.032 0.000 1.055 184 L CA 0.097 54.990 54.840 0.088 0.000 0.863 184 L CB 0.649 42.765 42.059 0.095 0.000 1.245 184 L HN 0.655 nan 8.230 nan 0.000 0.432 185 W N 4.995 126.330 121.300 0.059 0.000 1.564 185 W HA 0.389 5.049 4.660 -0.000 0.000 0.480 185 W C 1.456 177.871 176.519 -0.174 0.000 0.699 185 W CA 0.276 57.531 57.345 -0.149 0.000 1.985 185 W CB 0.042 29.120 29.460 -0.636 0.000 1.738 185 W HN 0.773 nan 8.180 nan 0.000 0.218 186 G N 0.900 109.787 108.800 0.145 0.000 2.143 186 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.249 186 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.249 186 G C 0.526 175.470 174.900 0.073 0.000 0.981 186 G CA 0.054 45.242 45.100 0.148 0.000 0.665 186 G HN 0.328 nan 8.290 nan 0.000 0.528 187 S N -0.700 115.026 115.700 0.044 0.000 2.632 187 S HA 0.553 5.023 4.470 -0.000 0.000 0.267 187 S C 0.750 175.247 174.600 -0.172 0.000 1.276 187 S CA 0.065 58.256 58.200 -0.015 0.000 0.998 187 S CB 0.990 64.189 63.200 -0.001 0.000 0.953 187 S HN 0.477 nan 8.310 nan 0.000 0.547 188 N N 1.564 120.098 118.700 -0.277 0.000 2.646 188 N HA 0.178 4.918 4.740 -0.000 0.000 0.303 188 N C 1.014 176.212 175.510 -0.520 0.000 1.921 188 N CA -0.067 52.619 53.050 -0.606 0.000 0.872 188 N CB -0.009 38.163 38.487 -0.525 0.000 1.327 188 N HN 0.536 nan 8.380 nan 0.000 0.492 189 M N 0.106 119.397 119.600 -0.516 0.000 2.108 189 M HA -0.233 4.247 4.480 -0.000 0.000 0.257 189 M C 2.366 178.349 176.300 -0.529 0.000 1.071 189 M CA 1.992 57.077 55.300 -0.358 0.000 1.093 189 M CB -0.554 31.925 32.600 -0.203 0.000 1.345 189 M HN 0.427 nan 8.290 nan 0.000 0.403 190 A N 0.095 122.179 122.820 -1.227 0.000 1.971 190 A HA -0.236 4.084 4.320 -0.000 0.000 0.222 190 A C 1.916 179.266 177.584 -0.390 0.000 1.182 190 A CA 2.317 53.739 52.037 -1.025 0.000 0.649 190 A CB -0.616 17.772 19.000 -1.021 0.000 0.818 190 A HN 0.682 nan 8.150 nan 0.000 0.458 191 E N -2.454 117.535 120.200 -0.353 0.000 2.434 191 E HA 0.101 4.451 4.350 -0.000 0.000 0.207 191 E C 1.148 177.658 176.600 -0.151 0.000 0.929 191 E CA 0.175 56.451 56.400 -0.206 0.000 1.001 191 E CB 0.228 29.813 29.700 -0.192 0.000 1.016 191 E HN 0.525 nan 8.360 nan 0.000 0.502 192 M N -0.526 118.998 119.600 -0.127 0.000 2.421 192 M HA 0.185 4.665 4.480 -0.000 0.000 0.258 192 M C 0.097 176.316 176.300 -0.136 0.000 1.122 192 M CA 0.776 56.036 55.300 -0.067 0.000 1.078 192 M CB -0.245 32.382 32.600 0.045 0.000 1.380 192 M HN -0.025 nan 8.290 nan 0.000 0.499 193 H N -1.073 117.953 119.070 -0.073 0.000 2.712 193 H HA 0.280 4.836 4.556 -0.000 0.000 0.226 193 H C -2.019 173.270 175.328 -0.064 0.000 1.422 193 H CA -1.026 54.996 56.048 -0.043 0.000 1.270 193 H CB 0.429 30.184 29.762 -0.013 0.000 1.891 193 H HN -0.041 nan 8.280 nan 0.000 0.518 194 P HA -0.222 nan 4.420 nan 0.000 0.215 194 P C 1.421 178.713 177.300 -0.013 0.000 1.163 194 P CA 1.158 64.264 63.100 0.009 0.000 0.894 194 P CB 0.371 32.050 31.700 -0.036 0.000 0.791 195 I N -1.710 118.811 120.570 -0.083 0.000 2.614 195 I HA -0.138 4.032 4.170 -0.000 0.000 0.258 195 I C 2.225 178.179 176.117 -0.272 0.000 1.189 195 I CA 1.206 62.416 61.300 -0.150 0.000 1.462 195 I CB -1.450 36.462 38.000 -0.147 0.000 1.092 195 I HN 0.018 nan 8.210 nan 0.000 0.442 196 L N -1.062 119.984 121.223 -0.294 0.000 2.095 196 L HA -0.186 4.154 4.340 -0.000 0.000 0.204 196 L C 2.544 179.061 176.870 -0.588 0.000 1.080 196 L CA 1.231 55.689 54.840 -0.636 0.000 0.759 196 L CB -0.560 41.221 42.059 -0.463 0.000 0.914 196 L HN 0.432 nan 8.230 nan 0.000 0.439 197 W N 0.513 121.553 121.300 -0.432 0.000 2.374 197 W HA -0.256 4.404 4.660 -0.000 0.000 0.288 197 W C 2.639 178.944 176.519 -0.356 0.000 1.218 197 W CA 1.542 58.671 57.345 -0.359 0.000 1.245 197 W CB 0.124 29.447 29.460 -0.229 0.000 1.126 197 W HN 0.207 nan 8.180 nan 0.000 0.545 198 S N 0.555 116.103 115.700 -0.253 0.000 2.387 198 S HA -0.167 4.303 4.470 -0.000 0.000 0.226 198 S C 1.921 176.287 174.600 -0.390 0.000 1.026 198 S CA 1.090 59.111 58.200 -0.299 0.000 0.972 198 S CB -0.351 62.738 63.200 -0.185 0.000 0.814 198 S HN 0.296 nan 8.310 nan 0.000 0.477 199 R N -0.032 120.187 120.500 -0.468 0.000 2.092 199 R HA -0.013 4.327 4.340 -0.000 0.000 0.231 199 R C 2.310 178.326 176.300 -0.474 0.000 1.119 199 R CA 1.461 57.281 56.100 -0.467 0.000 0.970 199 R CB -0.384 29.538 30.300 -0.630 0.000 0.864 199 R HN 0.481 nan 8.270 nan 0.000 0.440 200 L N 0.158 120.963 121.223 -0.696 0.000 2.072 200 L HA -0.042 4.298 4.340 -0.000 0.000 0.205 200 L C 1.673 178.066 176.870 -0.795 0.000 1.079 200 L CA 1.999 56.357 54.840 -0.803 0.000 0.752 200 L CB -0.978 40.479 42.059 -1.003 0.000 0.906 200 L HN -0.018 nan 8.230 nan 0.000 0.436 201 T N -0.185 113.868 114.554 -0.836 0.000 2.788 201 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 201 T C 1.539 175.995 174.700 -0.407 0.000 1.044 201 T CA 1.503 63.191 62.100 -0.686 0.000 1.139 201 T CB -0.352 68.102 68.868 -0.689 0.000 0.867 201 T HN 0.482 nan 8.240 nan 0.000 0.454 202 D N 0.883 121.082 120.400 -0.336 0.000 2.117 202 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 202 D C 2.307 178.499 176.300 -0.179 0.000 0.987 202 D CA 0.986 54.852 54.000 -0.223 0.000 0.829 202 D CB -0.101 40.593 40.800 -0.177 0.000 0.961 202 D HN 0.114 nan 8.370 nan 0.000 0.460 203 R N 0.580 120.998 120.500 -0.137 0.000 2.062 203 R HA -0.072 4.268 4.340 -0.000 0.000 0.231 203 R C 2.271 178.555 176.300 -0.027 0.000 1.136 203 R CA 1.942 58.049 56.100 0.012 0.000 0.948 203 R CB -0.708 29.696 30.300 0.173 0.000 0.845 203 R HN 0.049 nan 8.270 nan 0.000 0.430 204 R N 0.039 120.466 120.500 -0.121 0.000 2.080 204 R HA -0.052 4.288 4.340 -0.000 0.000 0.236 204 R C 1.881 178.101 176.300 -0.133 0.000 1.137 204 R CA 1.774 57.800 56.100 -0.123 0.000 0.943 204 R CB -0.942 29.224 30.300 -0.225 0.000 0.846 204 R HN 0.327 nan 8.270 nan 0.000 0.431 205 L N 0.307 121.425 121.223 -0.175 0.000 2.217 205 L HA 0.081 4.421 4.340 -0.000 0.000 0.211 205 L C 2.180 178.951 176.870 -0.165 0.000 1.107 205 L CA 1.609 56.357 54.840 -0.153 0.000 0.783 205 L CB -0.621 41.341 42.059 -0.162 0.000 0.919 205 L HN 0.177 nan 8.230 nan 0.000 0.442 206 S N -1.952 113.608 115.700 -0.233 0.000 2.436 206 S HA 0.037 4.507 4.470 -0.000 0.000 0.228 206 S C 0.291 174.572 174.600 -0.531 0.000 1.014 206 S CA 0.497 58.468 58.200 -0.381 0.000 0.950 206 S CB -0.146 62.762 63.200 -0.487 0.000 0.784 206 S HN 0.379 nan 8.310 nan 0.000 0.504 207 H N 1.170 120.199 119.070 -0.069 0.000 2.866 207 H HA 0.298 4.854 4.556 -0.000 0.000 0.287 207 H C -0.029 175.223 175.328 -0.127 0.000 1.106 207 H CA -0.578 55.427 56.048 -0.073 0.000 1.396 207 H CB 0.824 30.523 29.762 -0.104 0.000 1.469 207 H HN 0.148 nan 8.280 nan 0.000 0.500 208 E N 1.152 121.378 120.200 0.044 0.000 2.510 208 E HA -0.137 4.213 4.350 -0.000 0.000 0.202 208 E C 1.709 178.342 176.600 0.056 0.000 1.072 208 E CA 0.428 56.843 56.400 0.024 0.000 0.883 208 E CB 0.005 29.726 29.700 0.034 0.000 0.818 208 E HN 0.731 nan 8.360 nan 0.000 0.548 209 H N -0.793 118.332 119.070 0.090 0.000 2.502 209 H HA 0.082 4.638 4.556 -0.000 0.000 0.283 209 H C 0.600 175.977 175.328 0.082 0.000 1.015 209 H CA 0.102 56.194 56.048 0.073 0.000 1.298 209 H CB 0.053 29.850 29.762 0.057 0.000 1.411 209 H HN -0.179 nan 8.280 nan 0.000 0.556 210 V N 2.998 122.639 119.914 -0.455 0.000 2.843 210 V HA 0.115 4.234 4.120 -0.000 0.000 0.305 210 V C 0.495 176.590 176.094 0.003 0.000 1.065 210 V CA -0.083 62.066 62.300 -0.252 0.000 1.116 210 V CB 1.044 32.731 31.823 -0.226 0.000 0.968 210 V HN 0.379 nan 8.190 nan 0.000 0.487 211 R N 2.689 123.239 120.500 0.084 0.000 2.561 211 R HA 0.627 4.967 4.340 -0.000 0.000 0.297 211 R C -1.368 175.012 176.300 0.133 0.000 0.969 211 R CA -0.653 55.526 56.100 0.131 0.000 0.879 211 R CB 1.987 32.413 30.300 0.209 0.000 1.178 211 R HN 0.478 nan 8.270 nan 0.000 0.445 212 V N 1.739 121.724 119.914 0.119 0.000 2.459 212 V HA 0.727 4.847 4.120 -0.000 0.000 0.295 212 V C -0.170 176.008 176.094 0.139 0.000 1.029 212 V CA -0.822 61.550 62.300 0.119 0.000 0.874 212 V CB 1.748 33.600 31.823 0.049 0.000 0.985 212 V HN 0.864 nan 8.190 nan 0.000 0.438 213 A N 4.635 127.545 122.820 0.151 0.000 2.335 213 A HA 0.839 5.159 4.320 -0.000 0.000 0.304 213 A C -1.060 176.573 177.584 0.080 0.000 1.118 213 A CA -0.487 51.632 52.037 0.136 0.000 0.757 213 A CB 1.593 20.714 19.000 0.202 0.000 1.188 213 A HN 0.625 nan 8.150 nan 0.000 0.460 214 V N 3.517 123.470 119.914 0.066 0.000 2.495 214 V HA 0.500 4.620 4.120 -0.000 0.000 0.298 214 V C -0.619 175.472 176.094 -0.005 0.000 1.031 214 V CA -0.390 61.934 62.300 0.039 0.000 0.871 214 V CB 1.322 33.202 31.823 0.094 0.000 0.988 214 V HN 0.776 nan 8.190 nan 0.000 0.432 215 L N 3.698 124.900 121.223 -0.035 0.000 2.334 215 L HA 0.827 5.167 4.340 -0.000 0.000 0.276 215 L C 0.160 177.108 176.870 0.131 0.000 1.014 215 L CA 0.406 55.299 54.840 0.089 0.000 0.815 215 L CB 2.000 44.086 42.059 0.045 0.000 1.268 215 L HN 0.710 nan 8.230 nan 0.000 0.428 216 S N -0.684 114.981 115.700 -0.059 0.000 2.588 216 S HA 0.352 4.822 4.470 -0.000 0.000 0.269 216 S C 0.434 174.465 174.600 -0.948 0.000 1.157 216 S CA -0.414 57.489 58.200 -0.496 0.000 0.824 216 S CB 1.812 64.572 63.200 -0.735 0.000 1.126 216 S HN 0.656 nan 8.310 nan 0.000 0.464 217 T N 1.620 115.627 114.554 -0.911 0.000 2.978 217 T HA 0.246 4.596 4.350 -0.000 0.000 0.262 217 T C -0.012 174.478 174.700 -0.350 0.000 1.063 217 T CA 1.238 62.918 62.100 -0.700 0.000 1.140 217 T CB -0.304 68.337 68.868 -0.378 0.000 0.886 217 T HN 0.520 nan 8.240 nan 0.000 0.470 218 F N -0.886 118.825 119.950 -0.398 0.000 2.643 218 F HA 0.642 5.169 4.527 -0.000 0.000 0.314 218 F C -0.639 174.876 175.800 -0.474 0.000 1.096 218 F CA -1.474 56.331 58.000 -0.326 0.000 0.953 218 F CB 0.721 39.575 39.000 -0.244 0.000 1.345 218 F HN -0.483 nan 8.300 nan 0.000 0.468 219 T N 1.882 116.378 114.554 -0.096 0.000 2.761 219 T HA 0.436 4.786 4.350 -0.000 0.000 0.296 219 T C -0.636 174.017 174.700 -0.078 0.000 0.934 219 T CA -0.047 61.936 62.100 -0.196 0.000 1.091 219 T CB -0.277 68.558 68.868 -0.054 0.000 0.896 219 T HN 0.798 nan 8.240 nan 0.000 0.515 220 H N 0.996 120.006 119.070 -0.100 0.000 2.949 220 H HA 0.559 5.115 4.556 -0.000 0.000 0.310 220 H C 0.983 176.234 175.328 -0.128 0.000 1.405 220 H CA -1.761 54.226 56.048 -0.102 0.000 1.253 220 H CB 0.412 30.073 29.762 -0.169 0.000 1.932 220 H HN 0.278 nan 8.280 nan 0.000 0.602 221 R N -0.285 120.227 120.500 0.019 0.000 2.211 221 R HA -0.088 4.252 4.340 -0.000 0.000 0.240 221 R C 1.460 177.675 176.300 -0.143 0.000 1.144 221 R CA 1.733 57.791 56.100 -0.072 0.000 0.992 221 R CB -0.147 30.074 30.300 -0.132 0.000 0.869 221 R HN 0.534 nan 8.270 nan 0.000 0.462 222 S N -0.139 115.354 115.700 -0.344 0.000 2.377 222 S HA -0.078 4.392 4.470 -0.000 0.000 0.223 222 S C 1.568 176.172 174.600 0.007 0.000 1.030 222 S CA 1.177 59.079 58.200 -0.497 0.000 0.970 222 S CB 0.139 62.757 63.200 -0.971 0.000 0.830 222 S HN 0.441 nan 8.310 nan 0.000 0.473 223 S N 1.262 117.069 115.700 0.178 0.000 2.906 223 S HA 0.087 4.557 4.470 -0.000 0.000 0.234 223 S C 0.396 175.063 174.600 0.112 0.000 0.973 223 S CA 0.072 58.346 58.200 0.124 0.000 1.036 223 S CB -0.255 62.964 63.200 0.032 0.000 0.798 223 S HN 0.191 nan 8.310 nan 0.000 0.498 224 D N 0.683 121.165 120.400 0.137 0.000 2.350 224 D HA 0.155 4.795 4.640 -0.000 0.000 0.213 224 D C 1.053 177.432 176.300 0.133 0.000 1.031 224 D CA 0.200 54.269 54.000 0.115 0.000 0.861 224 D CB 0.426 41.286 40.800 0.101 0.000 0.926 224 D HN 0.491 nan 8.370 nan 0.000 0.520 225 L N 0.028 121.376 121.223 0.208 0.000 2.766 225 L HA 0.238 4.578 4.340 -0.000 0.000 0.242 225 L C -0.107 176.818 176.870 0.093 0.000 1.136 225 L CA 0.136 55.054 54.840 0.130 0.000 0.933 225 L CB 0.477 42.605 42.059 0.115 0.000 1.241 225 L HN -0.315 nan 8.230 nan 0.000 0.522 226 S N -0.019 115.755 115.700 0.124 0.000 2.565 226 S HA 0.188 4.658 4.470 -0.000 0.000 0.274 226 S C 0.344 174.988 174.600 0.073 0.000 1.309 226 S CA -0.523 57.738 58.200 0.102 0.000 1.043 226 S CB 0.991 64.256 63.200 0.108 0.000 0.939 226 S HN 0.249 nan 8.310 nan 0.000 0.504 227 D N 1.203 121.649 120.400 0.077 0.000 2.338 227 D HA 0.040 4.680 4.640 -0.000 0.000 0.208 227 D C -0.071 176.276 176.300 0.078 0.000 0.997 227 D CA 0.868 54.911 54.000 0.072 0.000 0.880 227 D CB 0.334 41.182 40.800 0.081 0.000 0.980 227 D HN 0.436 nan 8.370 nan 0.000 0.509 228 T N 3.470 118.078 114.554 0.089 0.000 3.241 228 T HA 0.239 4.589 4.350 -0.000 0.000 0.387 228 T C -2.670 172.070 174.700 0.067 0.000 1.451 228 T CA -1.173 60.976 62.100 0.082 0.000 1.363 228 T CB 2.226 71.157 68.868 0.105 0.000 1.074 228 T HN -0.038 nan 8.240 nan 0.000 0.598 229 P HA 0.457 nan 4.420 nan 0.000 0.286 229 P C -0.712 176.608 177.300 0.033 0.000 1.321 229 P CA -0.382 62.742 63.100 0.039 0.000 0.790 229 P CB 0.650 32.370 31.700 0.033 0.000 0.897 230 I N 5.022 125.612 120.570 0.034 0.000 2.406 230 I HA 0.406 4.576 4.170 -0.000 0.000 0.290 230 I C 0.394 176.548 176.117 0.062 0.000 0.999 230 I CA -0.825 60.513 61.300 0.065 0.000 1.124 230 I CB 1.894 39.949 38.000 0.092 0.000 1.289 230 I HN 0.157 nan 8.210 nan 0.000 0.441 231 I N 7.233 127.827 120.570 0.041 0.000 2.420 231 I HA 0.302 4.472 4.170 -0.000 0.000 0.282 231 I C -0.326 175.796 176.117 0.009 0.000 1.019 231 I CA -0.514 60.744 61.300 -0.070 0.000 1.130 231 I CB 0.632 38.571 38.000 -0.102 0.000 1.262 231 I HN 0.413 nan 8.210 nan 0.000 0.454 232 F N 4.360 124.296 119.950 -0.024 0.000 2.403 232 F HA 0.705 5.232 4.527 -0.000 0.000 0.326 232 F C 0.354 176.142 175.800 -0.021 0.000 1.099 232 F CA -1.283 56.717 58.000 0.001 0.000 1.036 232 F CB 0.397 39.419 39.000 0.037 0.000 1.336 232 F HN 0.185 nan 8.300 nan 0.000 0.497 233 R N 0.811 121.466 120.500 0.258 0.000 2.441 233 R HA 0.366 4.706 4.340 -0.000 0.000 0.284 233 R C -2.627 173.702 176.300 0.049 0.000 1.070 233 R CA -1.747 54.400 56.100 0.078 0.000 1.047 233 R CB 0.542 30.933 30.300 0.152 0.000 1.016 233 R HN 0.355 nan 8.270 nan 0.000 0.477 234 P HA -0.036 nan 4.420 nan 0.000 0.258 234 P C 0.142 177.343 177.300 -0.165 0.000 1.172 234 P CA 1.402 64.188 63.100 -0.524 0.000 0.762 234 P CB 0.668 31.425 31.700 -1.571 0.000 0.764 235 G N 2.915 111.763 108.800 0.081 0.000 2.253 235 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.251 235 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.251 235 G C 1.008 176.178 174.900 0.450 0.000 0.998 235 G CA 0.559 45.771 45.100 0.187 0.000 0.621 235 G HN 0.584 nan 8.290 nan 0.000 0.524 236 T N 0.057 114.835 114.554 0.374 0.000 3.160 236 T HA 0.176 4.525 4.350 -0.000 0.000 0.257 236 T C 1.806 176.556 174.700 0.083 0.000 1.147 236 T CA 1.387 63.615 62.100 0.213 0.000 1.064 236 T CB -0.211 68.730 68.868 0.122 0.000 0.949 236 T HN 0.513 nan 8.240 nan 0.000 0.526 237 D N 1.913 122.346 120.400 0.055 0.000 2.221 237 D HA -0.175 4.465 4.640 -0.000 0.000 0.204 237 D C 2.067 178.363 176.300 -0.006 0.000 0.982 237 D CA 0.813 54.719 54.000 -0.156 0.000 0.857 237 D CB -0.468 40.321 40.800 -0.018 0.000 0.934 237 D HN 0.381 nan 8.370 nan 0.000 0.475 238 R N 0.507 121.060 120.500 0.088 0.000 2.096 238 R HA -0.093 4.247 4.340 -0.000 0.000 0.240 238 R C 2.525 178.747 176.300 -0.130 0.000 1.139 238 R CA 1.931 58.036 56.100 0.008 0.000 0.952 238 R CB -0.507 29.960 30.300 0.279 0.000 0.854 238 R HN 0.313 nan 8.270 nan 0.000 0.436 239 A N 1.192 123.939 122.820 -0.121 0.000 1.877 239 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 239 A C 2.170 179.663 177.584 -0.152 0.000 1.186 239 A CA 1.430 53.288 52.037 -0.298 0.000 0.620 239 A CB -0.614 18.248 19.000 -0.230 0.000 0.822 239 A HN 0.227 nan 8.150 nan 0.000 0.443 240 I N -0.477 120.077 120.570 -0.026 0.000 2.151 240 I HA -0.314 3.856 4.170 -0.000 0.000 0.243 240 I C 2.460 178.651 176.117 0.123 0.000 1.080 240 I CA 1.449 62.825 61.300 0.127 0.000 1.339 240 I CB -0.649 37.456 38.000 0.176 0.000 1.039 240 I HN 0.286 nan 8.210 nan 0.000 0.409 241 L N 0.640 121.842 121.223 -0.035 0.000 2.013 241 L HA -0.266 4.074 4.340 -0.000 0.000 0.212 241 L C 2.207 178.971 176.870 -0.177 0.000 1.073 241 L CA 2.048 56.765 54.840 -0.206 0.000 0.753 241 L CB -0.760 41.037 42.059 -0.437 0.000 0.890 241 L HN 0.317 nan 8.230 nan 0.000 0.432 242 N N -1.628 116.945 118.700 -0.213 0.000 2.142 242 N HA -0.260 4.480 4.740 -0.000 0.000 0.186 242 N C 1.833 177.357 175.510 0.023 0.000 1.023 242 N CA 1.142 54.084 53.050 -0.180 0.000 0.852 242 N CB -0.244 37.944 38.487 -0.498 0.000 0.998 242 N HN 0.267 nan 8.380 nan 0.000 0.424 243 Y N 2.071 122.369 120.300 -0.003 0.000 2.102 243 Y HA -0.227 4.323 4.550 -0.000 0.000 0.280 243 Y C 1.798 177.790 175.900 0.154 0.000 1.178 243 Y CA 1.409 59.580 58.100 0.119 0.000 1.146 243 Y CB -0.630 37.887 38.460 0.096 0.000 0.968 243 Y HN 0.051 nan 8.280 nan 0.000 0.504 244 I N 0.528 120.885 120.570 -0.355 0.000 2.264 244 I HA -0.339 3.831 4.170 -0.000 0.000 0.248 244 I C 2.734 178.714 176.117 -0.229 0.000 1.111 244 I CA 1.266 62.298 61.300 -0.447 0.000 1.382 244 I CB -0.861 36.974 38.000 -0.275 0.000 1.060 244 I HN 0.376 nan 8.210 nan 0.000 0.418 245 A N 0.353 123.108 122.820 -0.109 0.000 1.877 245 A HA -0.309 4.011 4.320 -0.000 0.000 0.216 245 A C 2.227 179.845 177.584 0.057 0.000 1.186 245 A CA 2.189 54.235 52.037 0.015 0.000 0.620 245 A CB -1.033 18.020 19.000 0.088 0.000 0.822 245 A HN 0.538 nan 8.150 nan 0.000 0.443 246 H N -1.259 117.796 119.070 -0.025 0.000 2.319 246 H HA -0.249 4.307 4.556 -0.000 0.000 0.299 246 H C 1.942 177.277 175.328 0.011 0.000 1.092 246 H CA 2.474 58.533 56.048 0.017 0.000 1.302 246 H CB -0.474 29.346 29.762 0.097 0.000 1.373 246 H HN 0.730 nan 8.280 nan 0.000 0.497 247 H N -0.614 118.325 119.070 -0.218 0.000 2.387 247 H HA -0.065 4.491 4.556 -0.000 0.000 0.299 247 H C 2.262 177.476 175.328 -0.190 0.000 1.090 247 H CA 1.933 57.825 56.048 -0.259 0.000 1.332 247 H CB -0.170 29.321 29.762 -0.451 0.000 1.386 247 H HN 0.415 nan 8.280 nan 0.000 0.516 248 I N 0.147 120.708 120.570 -0.014 0.000 2.179 248 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 248 I C 1.968 178.064 176.117 -0.034 0.000 1.088 248 I CA 0.888 62.187 61.300 -0.003 0.000 1.357 248 I CB -0.186 37.822 38.000 0.013 0.000 1.051 248 I HN 0.359 nan 8.210 nan 0.000 0.409 249 I N 0.300 120.857 120.570 -0.022 0.000 2.142 249 I HA -0.254 3.916 4.170 -0.000 0.000 0.240 249 I C 2.671 178.726 176.117 -0.104 0.000 1.078 249 I CA 1.588 62.897 61.300 0.015 0.000 1.343 249 I CB -1.167 36.880 38.000 0.078 0.000 1.046 249 I HN 0.199 nan 8.210 nan 0.000 0.405 250 S N 0.719 116.247 115.700 -0.286 0.000 2.383 250 S HA -0.147 4.323 4.470 -0.000 0.000 0.229 250 S C 1.715 176.182 174.600 -0.222 0.000 1.030 250 S CA 1.885 59.898 58.200 -0.312 0.000 1.002 250 S CB -0.465 62.443 63.200 -0.487 0.000 0.829 250 S HN 0.546 nan 8.310 nan 0.000 0.467 251 T N 0.577 114.974 114.554 -0.262 0.000 3.169 251 T HA 0.372 4.722 4.350 -0.000 0.000 0.250 251 T C 1.197 175.840 174.700 -0.094 0.000 1.111 251 T CA 0.428 62.410 62.100 -0.196 0.000 1.010 251 T CB -0.166 68.543 68.868 -0.265 0.000 0.984 251 T HN 0.545 nan 8.240 nan 0.000 0.537 252 G N 2.599 111.361 108.800 -0.065 0.000 2.338 252 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.296 252 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.296 252 G C 0.325 175.229 174.900 0.007 0.000 1.040 252 G CA -0.257 44.838 45.100 -0.009 0.000 1.004 252 G HN 0.545 nan 8.290 nan 0.000 0.509 253 R N -0.676 119.827 120.500 0.006 0.000 2.748 253 R HA 0.328 4.668 4.340 -0.000 0.000 0.395 253 R C 0.605 176.922 176.300 0.029 0.000 1.128 253 R CA -0.417 55.692 56.100 0.014 0.000 1.042 253 R CB 0.935 31.236 30.300 0.003 0.000 1.392 253 R HN 0.279 nan 8.270 nan 0.000 0.582 254 V N 0.944 120.889 119.914 0.052 0.000 2.834 254 V HA 0.075 4.195 4.120 -0.000 0.000 0.301 254 V C 0.741 176.868 176.094 0.055 0.000 1.066 254 V CA -0.659 61.674 62.300 0.055 0.000 1.052 254 V CB 1.445 33.312 31.823 0.073 0.000 1.021 254 V HN 0.334 nan 8.190 nan 0.000 0.480 255 N N 2.408 121.145 118.700 0.062 0.000 2.767 255 N HA 0.189 4.929 4.740 -0.000 0.000 0.238 255 N C 1.121 176.714 175.510 0.137 0.000 1.083 255 N CA -0.210 52.897 53.050 0.094 0.000 0.964 255 N CB 0.413 38.951 38.487 0.085 0.000 1.252 255 N HN 0.543 nan 8.380 nan 0.000 0.512 256 R N 1.098 121.656 120.500 0.096 0.000 2.097 256 R HA -0.145 4.195 4.340 -0.000 0.000 0.236 256 R C 0.999 177.355 176.300 0.093 0.000 1.135 256 R CA 1.531 57.679 56.100 0.080 0.000 0.934 256 R CB -0.011 30.334 30.300 0.075 0.000 0.846 256 R HN 0.473 nan 8.270 nan 0.000 0.431 257 D N -0.292 120.170 120.400 0.104 0.000 2.203 257 D HA -0.210 4.430 4.640 -0.000 0.000 0.199 257 D C 1.558 177.932 176.300 0.124 0.000 0.997 257 D CA 1.229 55.284 54.000 0.092 0.000 0.863 257 D CB -0.114 40.747 40.800 0.102 0.000 0.928 257 D HN 0.147 nan 8.370 nan 0.000 0.458 258 F N 0.620 120.618 119.950 0.080 0.000 2.179 258 F HA -0.102 4.425 4.527 -0.000 0.000 0.292 258 F C 2.262 178.134 175.800 0.120 0.000 1.089 258 F CA 0.627 58.740 58.000 0.189 0.000 1.295 258 F CB -0.181 38.931 39.000 0.188 0.000 1.041 258 F HN -0.256 nan 8.300 nan 0.000 0.487 259 V N 0.532 120.592 119.914 0.244 0.000 2.343 259 V HA -0.287 3.833 4.120 -0.000 0.000 0.247 259 V C 1.988 178.060 176.094 -0.037 0.000 1.051 259 V CA 2.209 64.550 62.300 0.068 0.000 1.036 259 V CB -0.655 31.169 31.823 0.002 0.000 0.654 259 V HN 0.306 nan 8.190 nan 0.000 0.451 260 D N -0.431 119.952 120.400 -0.028 0.000 2.117 260 D HA -0.142 4.498 4.640 -0.000 0.000 0.197 260 D C 2.365 178.588 176.300 -0.128 0.000 0.987 260 D CA 1.243 55.218 54.000 -0.041 0.000 0.829 260 D CB -0.177 40.613 40.800 -0.017 0.000 0.961 260 D HN 0.290 nan 8.370 nan 0.000 0.460 261 R N -0.472 119.879 120.500 -0.249 0.000 2.161 261 R HA -0.015 4.325 4.340 -0.000 0.000 0.213 261 R C 0.835 176.722 176.300 -0.689 0.000 1.055 261 R CA 0.732 56.542 56.100 -0.483 0.000 0.996 261 R CB 0.284 30.204 30.300 -0.632 0.000 0.901 261 R HN 0.281 nan 8.270 nan 0.000 0.456 262 H N -1.466 117.409 119.070 -0.325 0.000 2.662 262 H HA 0.284 4.840 4.556 -0.000 0.000 0.268 262 H C -0.405 174.783 175.328 -0.233 0.000 1.152 262 H CA -0.026 55.818 56.048 -0.340 0.000 1.072 262 H CB 1.268 30.607 29.762 -0.705 0.000 1.660 262 H HN -0.047 nan 8.280 nan 0.000 0.584 263 T N 0.962 115.426 114.554 -0.150 0.000 2.906 263 T HA 0.385 4.735 4.350 -0.000 0.000 0.295 263 T C -0.152 174.424 174.700 -0.206 0.000 1.075 263 T CA -0.725 61.237 62.100 -0.230 0.000 1.005 263 T CB 2.493 71.168 68.868 -0.322 0.000 1.136 263 T HN 0.148 nan 8.240 nan 0.000 0.498 264 N N -0.033 118.469 118.700 -0.329 0.000 2.509 264 N HA 0.716 5.456 4.740 -0.000 0.000 0.280 264 N C -1.519 173.758 175.510 -0.390 0.000 1.306 264 N CA -0.540 52.412 53.050 -0.164 0.000 0.782 264 N CB 1.506 39.919 38.487 -0.122 0.000 1.493 264 N HN 0.367 nan 8.380 nan 0.000 0.498 265 F N 0.219 120.079 119.950 -0.150 0.000 2.661 265 F HA 0.893 5.420 4.527 -0.000 0.000 0.347 265 F C 0.273 175.991 175.800 -0.136 0.000 1.086 265 F CA -0.554 57.337 58.000 -0.181 0.000 1.016 265 F CB 1.432 40.355 39.000 -0.127 0.000 1.368 265 F HN 0.542 nan 8.300 nan 0.000 0.505 266 A N 0.341 123.204 122.820 0.071 0.000 2.544 266 A HA 0.731 5.051 4.320 -0.000 0.000 0.291 266 A C -2.362 175.214 177.584 -0.015 0.000 1.055 266 A CA -0.702 51.331 52.037 -0.007 0.000 0.651 266 A CB 1.070 20.012 19.000 -0.097 0.000 1.296 266 A HN 0.637 nan 8.150 nan 0.000 0.431 267 L N 0.813 122.006 121.223 -0.050 0.000 2.386 267 L HA 0.686 5.026 4.340 -0.000 0.000 0.271 267 L C 0.689 177.471 176.870 -0.147 0.000 0.993 267 L CA -0.805 53.986 54.840 -0.081 0.000 0.819 267 L CB 2.210 44.242 42.059 -0.044 0.000 1.294 267 L HN 1.027 nan 8.230 nan 0.000 0.414 268 G N 1.154 109.802 108.800 -0.253 0.000 2.425 268 G HA2 0.565 4.525 3.960 -0.000 0.000 0.302 268 G HA3 0.565 4.525 3.960 -0.000 0.000 0.302 268 G C -0.176 174.631 174.900 -0.155 0.000 1.159 268 G CA -0.414 44.535 45.100 -0.251 0.000 0.865 268 G HN 0.742 nan 8.290 nan 0.000 0.515 269 A N 0.744 123.553 122.820 -0.019 0.000 2.520 269 A HA 0.420 4.740 4.320 -0.000 0.000 0.245 269 A C 1.593 179.249 177.584 0.120 0.000 1.072 269 A CA 0.685 52.748 52.037 0.044 0.000 0.761 269 A CB 0.109 19.154 19.000 0.075 0.000 1.004 269 A HN 1.187 nan 8.150 nan 0.000 0.499 270 T N -1.056 113.545 114.554 0.077 0.000 3.031 270 T HA 0.021 4.371 4.350 -0.000 0.000 0.254 270 T C 0.722 175.527 174.700 0.175 0.000 1.060 270 T CA 1.201 63.383 62.100 0.136 0.000 1.135 270 T CB -0.111 68.780 68.868 0.038 0.000 0.896 270 T HN 0.545 nan 8.240 nan 0.000 0.472 271 D N 0.629 121.086 120.400 0.094 0.000 2.706 271 D HA 0.321 4.961 4.640 -0.000 0.000 0.236 271 D C 0.107 176.406 176.300 -0.002 0.000 1.231 271 D CA -0.671 53.360 54.000 0.052 0.000 0.828 271 D CB -0.997 39.829 40.800 0.044 0.000 1.015 271 D HN 0.437 nan 8.370 nan 0.000 0.484 272 I N 0.175 120.743 120.570 -0.004 0.000 3.141 272 I HA 0.092 4.262 4.170 -0.000 0.000 0.295 272 I C 1.157 177.117 176.117 -0.262 0.000 1.252 272 I CA 0.757 61.996 61.300 -0.102 0.000 1.406 272 I CB 0.657 38.587 38.000 -0.116 0.000 1.333 272 I HN 0.252 nan 8.210 nan 0.000 0.594 273 G N 4.251 112.899 108.800 -0.254 0.000 2.883 273 G HA2 0.392 4.352 3.960 -0.000 0.000 0.285 273 G HA3 0.392 4.352 3.960 -0.000 0.000 0.285 273 G C -0.934 173.835 174.900 -0.219 0.000 1.526 273 G CA -0.493 44.434 45.100 -0.289 0.000 1.062 273 G HN 0.590 nan 8.290 nan 0.000 0.550 274 Y N 0.422 120.668 120.300 -0.091 0.000 3.093 274 Y HA -0.240 4.310 4.550 -0.000 0.000 0.232 274 Y C 1.909 177.747 175.900 -0.103 0.000 0.963 274 Y CA 0.625 58.660 58.100 -0.108 0.000 0.735 274 Y CB -0.943 37.453 38.460 -0.107 0.000 1.008 274 Y HN 0.784 nan 8.280 nan 0.000 0.396 275 G N 2.445 111.234 108.800 -0.018 0.000 2.246 275 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.296 275 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.296 275 G C 0.348 175.255 174.900 0.012 0.000 0.505 275 G CA 0.285 45.380 45.100 -0.008 0.000 1.301 275 G HN 0.603 nan 8.290 nan 0.000 0.412 276 L N -0.251 120.978 121.223 0.009 0.000 2.664 276 L HA 0.612 4.952 4.340 -0.000 0.000 0.253 276 L C 1.258 178.155 176.870 0.045 0.000 1.293 276 L CA -1.340 53.491 54.840 -0.015 0.000 1.280 276 L CB 0.727 42.704 42.059 -0.137 0.000 1.993 276 L HN 0.130 nan 8.230 nan 0.000 0.577 277 R N 1.050 121.586 120.500 0.060 0.000 2.410 277 R HA 0.283 4.623 4.340 -0.000 0.000 0.288 277 R C -2.367 173.992 176.300 0.099 0.000 1.051 277 R CA -1.611 54.538 56.100 0.082 0.000 1.021 277 R CB 0.720 31.071 30.300 0.085 0.000 1.032 277 R HN 0.251 nan 8.270 nan 0.000 0.481 278 P HA 0.056 nan 4.420 nan 0.000 0.271 278 P C -0.631 176.714 177.300 0.075 0.000 1.220 278 P CA 0.318 63.463 63.100 0.075 0.000 0.768 278 P CB 1.177 32.912 31.700 0.057 0.000 0.848 279 E N -1.206 119.041 120.200 0.079 0.000 3.376 279 E HA -0.111 4.239 4.350 -0.000 0.000 0.142 279 E C 0.392 177.029 176.600 0.061 0.000 0.601 279 E CA -0.031 56.403 56.400 0.057 0.000 2.970 279 E CB -1.285 28.447 29.700 0.053 0.000 1.416 279 E HN 0.622 nan 8.360 nan 0.000 0.768 280 H N 2.844 121.928 119.070 0.024 0.000 2.848 280 H HA 0.099 4.655 4.556 -0.000 0.000 0.341 280 H C 1.017 176.360 175.328 0.025 0.000 1.060 280 H CA 1.149 57.209 56.048 0.020 0.000 1.444 280 H CB 0.929 30.705 29.762 0.023 0.000 1.446 280 H HN 0.267 nan 8.280 nan 0.000 0.583 281 Q N 3.936 123.630 119.800 -0.177 0.000 2.045 281 Q HA -0.196 4.144 4.340 -0.000 0.000 0.206 281 Q C 2.477 178.558 176.000 0.135 0.000 0.991 281 Q CA 1.713 57.502 55.803 -0.022 0.000 0.851 281 Q CB -0.016 28.660 28.738 -0.103 0.000 0.911 281 Q HN 0.716 nan 8.270 nan 0.000 0.418 282 L N 0.760 122.157 121.223 0.289 0.000 2.211 282 L HA -0.286 4.054 4.340 -0.000 0.000 0.216 282 L C 2.552 179.563 176.870 0.235 0.000 1.092 282 L CA 1.322 56.328 54.840 0.275 0.000 0.767 282 L CB -0.478 41.758 42.059 0.296 0.000 0.894 282 L HN 0.318 nan 8.230 nan 0.000 0.437 283 Q N -0.599 119.323 119.800 0.204 0.000 2.165 283 Q HA -0.038 4.302 4.340 -0.000 0.000 0.197 283 Q C 2.437 178.493 176.000 0.093 0.000 0.952 283 Q CA 0.881 56.762 55.803 0.131 0.000 0.848 283 Q CB 0.001 28.811 28.738 0.119 0.000 0.931 283 Q HN 0.541 nan 8.270 nan 0.000 0.470 284 L N 0.556 121.831 121.223 0.088 0.000 2.012 284 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 284 L C 2.537 179.442 176.870 0.058 0.000 1.073 284 L CA 1.312 56.188 54.840 0.060 0.000 0.748 284 L CB -0.800 41.286 42.059 0.045 0.000 0.891 284 L HN 0.147 nan 8.230 nan 0.000 0.431 285 A N 0.257 123.118 122.820 0.070 0.000 2.019 285 A HA -0.009 4.311 4.320 -0.000 0.000 0.219 285 A C 1.921 179.546 177.584 0.069 0.000 1.164 285 A CA 1.115 53.193 52.037 0.068 0.000 0.644 285 A CB -0.625 18.423 19.000 0.081 0.000 0.805 285 A HN 0.368 nan 8.150 nan 0.000 0.449 286 A N 0.812 123.676 122.820 0.074 0.000 3.004 286 A HA 0.253 4.573 4.320 -0.000 0.000 0.254 286 A C 0.282 177.887 177.584 0.035 0.000 1.857 286 A CA -0.219 51.849 52.037 0.051 0.000 1.460 286 A CB -1.109 17.914 19.000 0.039 0.000 0.963 286 A HN 0.493 nan 8.150 nan 0.000 0.624 287 K N 0.364 120.787 120.400 0.038 0.000 2.405 287 K HA 0.210 4.530 4.320 -0.000 0.000 0.273 287 K C 1.166 177.783 176.600 0.028 0.000 1.116 287 K CA 0.994 57.300 56.287 0.031 0.000 1.155 287 K CB -0.111 32.407 32.500 0.031 0.000 0.858 287 K HN 0.929 nan 8.250 nan 0.000 0.477 288 G N 1.675 110.490 108.800 0.025 0.000 2.168 288 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.197 288 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.197 288 G C 0.765 175.677 174.900 0.020 0.000 0.997 288 G CA -0.051 45.064 45.100 0.025 0.000 0.658 288 G HN 0.651 nan 8.290 nan 0.000 0.513 289 A N 0.159 122.988 122.820 0.015 0.000 2.119 289 A HA 0.603 4.923 4.320 -0.000 0.000 0.216 289 A C 2.589 180.183 177.584 0.016 0.000 1.152 289 A CA 1.911 53.951 52.037 0.004 0.000 0.708 289 A CB -0.418 18.586 19.000 0.007 0.000 0.805 289 A HN 1.683 nan 8.150 nan 0.000 0.460 290 A N -0.578 122.256 122.820 0.023 0.000 2.015 290 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 290 A C 1.807 179.407 177.584 0.027 0.000 1.163 290 A CA 1.697 53.751 52.037 0.028 0.000 0.646 290 A CB -0.193 18.824 19.000 0.028 0.000 0.806 290 A HN 0.493 nan 8.150 nan 0.000 0.448 291 D N -1.242 119.173 120.400 0.026 0.000 2.685 291 D HA 0.401 5.041 4.640 -0.000 0.000 0.257 291 D C 0.553 176.870 176.300 0.028 0.000 1.472 291 D CA 1.391 55.408 54.000 0.027 0.000 1.125 291 D CB 0.146 40.962 40.800 0.027 0.000 0.969 291 D HN 0.846 nan 8.370 nan 0.000 0.281 292 A N -1.204 121.639 122.820 0.038 0.000 2.109 292 A HA 0.293 4.613 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 1.448 53.515 52.037 0.050 0.000 0.334 292 A CB -1.797 17.208 19.000 0.009 0.000 3.228 292 A HN 1.374 nan 8.150 nan 0.000 0.445 293 G N -0.157 108.701 108.800 0.096 0.000 2.134 293 G HA2 0.359 4.319 3.960 -0.000 0.000 0.209 293 G HA3 0.359 4.319 3.960 -0.000 0.000 0.209 293 G C 0.823 175.750 174.900 0.045 0.000 0.993 293 G CA 0.975 46.124 45.100 0.083 0.000 0.669 293 G HN 2.731 nan 8.290 nan 0.000 0.519 294 A N 0.186 123.028 122.820 0.037 0.000 2.401 294 A HA 0.789 5.109 4.320 -0.000 0.000 0.259 294 A C 1.272 178.849 177.584 -0.012 0.000 1.103 294 A CA 0.423 52.468 52.037 0.013 0.000 0.789 294 A CB 0.345 19.354 19.000 0.014 0.000 1.035 294 A HN 0.233 nan 8.150 nan 0.000 0.491 295 M N 1.158 120.745 119.600 -0.022 0.000 2.473 295 M HA 0.134 4.614 4.480 -0.000 0.000 0.230 295 M C 0.981 177.255 176.300 -0.044 0.000 1.226 295 M CA 2.134 57.404 55.300 -0.050 0.000 1.235 295 M CB -1.696 30.874 32.600 -0.049 0.000 1.162 295 M HN 1.374 nan 8.290 nan 0.000 0.486 296 T N 0.022 114.560 114.554 -0.027 0.000 1.309 296 T HA -0.055 4.295 4.350 -0.000 0.000 0.685 296 T C -2.732 171.959 174.700 -0.015 0.000 0.967 296 T CA -0.580 61.510 62.100 -0.018 0.000 3.630 296 T CB -1.884 66.975 68.868 -0.016 0.000 2.070 296 T HN 0.061 nan 8.240 nan 0.000 0.393 297 P HA 0.406 nan 4.420 nan 0.000 0.272 297 P C 0.864 178.179 177.300 0.025 0.000 1.243 297 P CA 0.194 63.300 63.100 0.010 0.000 0.803 297 P CB 0.494 32.201 31.700 0.011 0.000 0.974 298 T N -2.752 111.835 114.554 0.056 0.000 2.630 298 T HA 0.345 4.695 4.350 -0.000 0.000 0.225 298 T C -1.309 173.412 174.700 0.035 0.000 0.897 298 T CA -0.415 61.714 62.100 0.048 0.000 1.316 298 T CB 0.300 69.207 68.868 0.066 0.000 1.743 298 T HN 0.347 nan 8.240 nan 0.000 0.436 299 D N -0.675 119.720 120.400 -0.008 0.000 2.756 299 D HA 0.377 5.017 4.640 -0.000 0.000 0.226 299 D C -0.167 175.959 176.300 -0.290 0.000 1.186 299 D CA -0.560 53.384 54.000 -0.093 0.000 0.845 299 D CB 2.375 43.130 40.800 -0.075 0.000 1.610 299 D HN 0.297 nan 8.370 nan 0.000 0.465 300 F N 3.015 122.561 119.950 -0.674 0.000 2.161 300 F HA -0.145 4.382 4.527 -0.000 0.000 0.300 300 F C 1.799 177.337 175.800 -0.437 0.000 1.089 300 F CA 1.669 59.029 58.000 -1.067 0.000 1.282 300 F CB -0.063 38.539 39.000 -0.663 0.000 1.010 300 F HN 0.359 nan 8.300 nan 0.000 0.485 301 E N -0.054 119.917 120.200 -0.381 0.000 2.077 301 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 301 E C 2.170 178.652 176.600 -0.197 0.000 0.989 301 E CA 1.916 58.083 56.400 -0.388 0.000 0.800 301 E CB -1.275 28.262 29.700 -0.272 0.000 0.746 301 E HN 0.396 nan 8.360 nan 0.000 0.452 302 T N 1.585 116.075 114.554 -0.107 0.000 2.777 302 T HA -0.114 4.235 4.350 -0.000 0.000 0.266 302 T C 1.604 176.314 174.700 0.017 0.000 1.040 302 T CA 1.117 63.191 62.100 -0.043 0.000 1.141 302 T CB -0.478 68.380 68.868 -0.017 0.000 0.868 302 T HN 0.143 nan 8.240 nan 0.000 0.444 303 F N 2.720 122.637 119.950 -0.055 0.000 2.026 303 F HA -0.072 4.455 4.527 -0.000 0.000 0.296 303 F C 2.568 178.408 175.800 0.066 0.000 1.133 303 F CA 1.271 59.303 58.000 0.052 0.000 1.188 303 F CB -1.009 38.106 39.000 0.192 0.000 0.968 303 F HN 0.152 nan 8.300 nan 0.000 0.476 304 A N 0.603 123.478 122.820 0.091 0.000 1.940 304 A HA -0.265 4.054 4.320 -0.000 0.000 0.221 304 A C 2.380 179.903 177.584 -0.102 0.000 1.190 304 A CA 2.601 54.627 52.037 -0.019 0.000 0.647 304 A CB -1.784 17.196 19.000 -0.034 0.000 0.821 304 A HN 0.669 nan 8.150 nan 0.000 0.457 305 A N -1.170 121.587 122.820 -0.105 0.000 2.015 305 A HA 0.109 4.429 4.320 -0.000 0.000 0.219 305 A C 2.077 179.595 177.584 -0.110 0.000 1.163 305 A CA 1.587 53.570 52.037 -0.091 0.000 0.646 305 A CB -0.433 18.514 19.000 -0.089 0.000 0.806 305 A HN 0.799 nan 8.150 nan 0.000 0.448 306 L N -0.044 121.092 121.223 -0.145 0.000 2.072 306 L HA -0.020 4.320 4.340 -0.000 0.000 0.205 306 L C 2.114 178.909 176.870 -0.126 0.000 1.079 306 L CA 1.890 56.646 54.840 -0.139 0.000 0.752 306 L CB -0.549 41.428 42.059 -0.136 0.000 0.906 306 L HN 0.113 nan 8.230 nan 0.000 0.436 307 V N -0.434 119.356 119.914 -0.207 0.000 2.913 307 V HA -0.146 3.974 4.120 -0.000 0.000 0.260 307 V C 2.438 178.547 176.094 0.025 0.000 1.098 307 V CA 1.389 63.648 62.300 -0.069 0.000 1.121 307 V CB -1.094 30.562 31.823 -0.278 0.000 0.714 307 V HN 0.498 nan 8.190 nan 0.000 0.487 308 S N 0.153 115.829 115.700 -0.040 0.000 2.402 308 S HA -0.238 4.232 4.470 -0.000 0.000 0.229 308 S C 1.944 176.349 174.600 -0.326 0.000 1.021 308 S CA 1.486 59.604 58.200 -0.136 0.000 0.974 308 S CB -0.256 62.928 63.200 -0.028 0.000 0.800 308 S HN 0.781 nan 8.310 nan 0.000 0.484 309 E N 0.567 120.578 120.200 -0.316 0.000 2.160 309 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 309 E C -0.384 175.903 176.600 -0.521 0.000 0.991 309 E CA 0.816 56.949 56.400 -0.445 0.000 0.810 309 E CB -0.058 29.290 29.700 -0.587 0.000 0.742 309 E HN 0.600 nan 8.360 nan 0.000 0.466 310 Y N 1.806 122.009 120.300 -0.163 0.000 2.636 310 Y HA 0.150 4.700 4.550 -0.000 0.000 0.334 310 Y C 0.031 175.838 175.900 -0.156 0.000 1.286 310 Y CA -0.310 57.724 58.100 -0.109 0.000 1.688 310 Y CB -0.149 38.295 38.460 -0.026 0.000 1.662 310 Y HN -0.162 nan 8.280 nan 0.000 0.465 311 T N 1.533 116.013 114.554 -0.122 0.000 2.860 311 T HA -0.005 4.345 4.350 -0.000 0.000 0.299 311 T C 1.423 176.074 174.700 -0.082 0.000 1.045 311 T CA -0.702 61.327 62.100 -0.118 0.000 1.071 311 T CB 1.087 69.894 68.868 -0.103 0.000 0.985 311 T HN 0.556 nan 8.240 nan 0.000 0.537 312 L N 1.209 122.360 121.223 -0.121 0.000 2.043 312 L HA -0.113 4.227 4.340 -0.000 0.000 0.212 312 L C 2.194 178.877 176.870 -0.312 0.000 1.075 312 L CA 1.941 56.421 54.840 -0.600 0.000 0.752 312 L CB -0.906 40.930 42.059 -0.373 0.000 0.891 312 L HN 0.625 nan 8.230 nan 0.000 0.432 313 E N -0.206 119.908 120.200 -0.144 0.000 2.153 313 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 313 E C 2.201 178.751 176.600 -0.083 0.000 0.988 313 E CA 1.518 57.863 56.400 -0.091 0.000 0.811 313 E CB -0.186 29.483 29.700 -0.050 0.000 0.746 313 E HN 0.577 nan 8.360 nan 0.000 0.466 314 K N -0.216 120.135 120.400 -0.082 0.000 2.098 314 K HA 0.078 4.398 4.320 -0.000 0.000 0.203 314 K C 2.058 178.639 176.600 -0.032 0.000 1.051 314 K CA 0.844 57.101 56.287 -0.050 0.000 0.957 314 K CB -0.077 32.391 32.500 -0.053 0.000 0.738 314 K HN 0.106 nan 8.250 nan 0.000 0.447 315 A N 1.503 124.299 122.820 -0.041 0.000 1.873 315 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 315 A C 2.389 179.937 177.584 -0.059 0.000 1.193 315 A CA 2.259 54.279 52.037 -0.028 0.000 0.629 315 A CB -1.213 17.752 19.000 -0.058 0.000 0.826 315 A HN 0.486 nan 8.150 nan 0.000 0.447 316 A N 0.130 122.886 122.820 -0.107 0.000 1.892 316 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 316 A C 1.989 179.559 177.584 -0.024 0.000 1.188 316 A CA 2.508 54.507 52.037 -0.064 0.000 0.631 316 A CB -0.732 18.218 19.000 -0.083 0.000 0.822 316 A HN 0.769 nan 8.150 nan 0.000 0.447 317 E N 0.486 120.669 120.200 -0.028 0.000 2.085 317 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 317 E C 1.646 178.247 176.600 0.001 0.000 0.994 317 E CA 1.974 58.369 56.400 -0.008 0.000 0.801 317 E CB -0.505 29.188 29.700 -0.011 0.000 0.743 317 E HN 0.692 nan 8.360 nan 0.000 0.453 318 I N 0.561 121.119 120.570 -0.020 0.000 2.406 318 I HA -0.148 4.022 4.170 -0.000 0.000 0.249 318 I C 2.275 178.390 176.117 -0.003 0.000 1.122 318 I CA 1.012 62.285 61.300 -0.045 0.000 1.431 318 I CB -0.412 37.486 38.000 -0.170 0.000 1.087 318 I HN 0.109 nan 8.210 nan 0.000 0.424 319 S N 0.898 116.610 115.700 0.020 0.000 2.336 319 S HA 0.159 4.629 4.470 -0.000 0.000 0.216 319 S C 1.771 176.439 174.600 0.114 0.000 1.032 319 S CA 0.816 59.075 58.200 0.098 0.000 0.973 319 S CB -0.433 62.836 63.200 0.114 0.000 0.888 319 S HN 0.611 nan 8.310 nan 0.000 0.455 320 G N 0.725 109.572 108.800 0.079 0.000 2.164 320 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.154 320 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.154 320 G C -0.071 174.869 174.900 0.067 0.000 1.014 320 G CA -0.281 44.862 45.100 0.072 0.000 0.683 320 G HN 0.994 nan 8.290 nan 0.000 0.500 321 V N -1.329 118.626 119.914 0.068 0.000 2.481 321 V HA 0.729 4.849 4.120 -0.000 0.000 0.286 321 V C 0.451 176.564 176.094 0.031 0.000 1.042 321 V CA -1.606 60.731 62.300 0.061 0.000 0.928 321 V CB 1.793 33.666 31.823 0.083 0.000 0.986 321 V HN 0.194 nan 8.190 nan 0.000 0.462 322 E N 5.798 126.016 120.200 0.030 0.000 2.415 322 E HA 0.096 4.446 4.350 -0.000 0.000 0.263 322 E C -1.404 175.200 176.600 0.006 0.000 0.995 322 E CA -1.351 55.059 56.400 0.018 0.000 0.915 322 E CB 1.235 30.950 29.700 0.024 0.000 0.951 322 E HN 0.575 nan 8.360 nan 0.000 0.449 323 P HA -0.259 nan 4.420 nan 0.000 0.217 323 P C 1.049 178.346 177.300 -0.005 0.000 1.151 323 P CA 1.622 64.696 63.100 -0.043 0.000 0.849 323 P CB 0.194 31.862 31.700 -0.053 0.000 0.787 324 A N -0.599 122.231 122.820 0.016 0.000 1.986 324 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 324 A C 2.207 179.816 177.584 0.042 0.000 1.171 324 A CA 1.534 53.591 52.037 0.033 0.000 0.640 324 A CB -1.365 17.654 19.000 0.032 0.000 0.811 324 A HN 0.107 nan 8.150 nan 0.000 0.451 325 L N -1.259 119.989 121.223 0.041 0.000 2.072 325 L HA -0.027 4.313 4.340 -0.000 0.000 0.205 325 L C 2.204 179.116 176.870 0.070 0.000 1.079 325 L CA 1.171 56.043 54.840 0.053 0.000 0.752 325 L CB -0.942 41.148 42.059 0.052 0.000 0.906 325 L HN 0.248 nan 8.230 nan 0.000 0.436 326 L N -0.681 120.589 121.223 0.079 0.000 2.191 326 L HA -0.148 4.192 4.340 -0.000 0.000 0.212 326 L C 2.468 179.481 176.870 0.237 0.000 1.103 326 L CA 1.365 56.307 54.840 0.170 0.000 0.769 326 L CB -0.860 41.248 42.059 0.081 0.000 0.908 326 L HN 0.344 nan 8.230 nan 0.000 0.438 327 E N -0.602 119.675 120.200 0.129 0.000 2.152 327 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 327 E C 1.968 178.562 176.600 -0.010 0.000 0.983 327 E CA 0.643 57.089 56.400 0.077 0.000 0.818 327 E CB 0.186 29.941 29.700 0.091 0.000 0.758 327 E HN 0.585 nan 8.360 nan 0.000 0.467 328 E N 0.463 120.678 120.200 0.024 0.000 2.072 328 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 328 E C 2.115 178.699 176.600 -0.026 0.000 0.985 328 E CA 0.419 56.824 56.400 0.009 0.000 0.801 328 E CB 0.045 29.770 29.700 0.042 0.000 0.750 328 E HN 0.048 nan 8.360 nan 0.000 0.452 329 L N 1.070 122.301 121.223 0.013 0.000 1.937 329 L HA -0.188 4.152 4.340 -0.000 0.000 0.213 329 L C 2.321 179.136 176.870 -0.092 0.000 1.077 329 L CA 2.185 57.038 54.840 0.021 0.000 0.758 329 L CB -0.986 41.142 42.059 0.115 0.000 0.888 329 L HN 0.074 nan 8.230 nan 0.000 0.433 330 A N -0.767 121.983 122.820 -0.118 0.000 1.916 330 A HA -0.376 3.944 4.320 -0.000 0.000 0.224 330 A C 2.171 179.556 177.584 -0.331 0.000 1.366 330 A CA 2.487 54.313 52.037 -0.351 0.000 0.692 330 A CB -1.074 17.429 19.000 -0.829 0.000 0.841 330 A HN 0.629 nan 8.150 nan 0.000 0.480 331 E N -0.927 119.082 120.200 -0.318 0.000 2.085 331 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 331 E C 2.030 178.467 176.600 -0.273 0.000 0.994 331 E CA 1.198 57.488 56.400 -0.183 0.000 0.801 331 E CB -0.447 29.198 29.700 -0.093 0.000 0.743 331 E HN 0.475 nan 8.360 nan 0.000 0.453 332 L N -0.048 120.895 121.223 -0.467 0.000 1.970 332 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 332 L C 2.260 178.416 176.870 -1.189 0.000 1.071 332 L CA 1.602 55.888 54.840 -0.923 0.000 0.751 332 L CB -1.306 39.872 42.059 -1.468 0.000 0.889 332 L HN 0.225 nan 8.230 nan 0.000 0.432 333 Y N -1.174 118.351 120.300 -1.292 0.000 2.651 333 Y HA -0.198 4.352 4.550 -0.000 0.000 0.293 333 Y C 2.030 177.671 175.900 -0.432 0.000 1.151 333 Y CA 0.681 58.228 58.100 -0.922 0.000 1.362 333 Y CB -0.084 38.028 38.460 -0.580 0.000 0.973 333 Y HN 0.245 nan 8.280 nan 0.000 0.561 334 A N -0.986 121.713 122.820 -0.203 0.000 1.997 334 A HA 0.032 4.352 4.320 -0.000 0.000 0.198 334 A C 0.383 177.935 177.584 -0.053 0.000 1.449 334 A CA -0.033 51.959 52.037 -0.074 0.000 0.908 334 A CB -0.182 18.819 19.000 0.002 0.000 0.984 334 A HN 0.318 nan 8.150 nan 0.000 0.487 335 D N 2.436 122.797 120.400 -0.066 0.000 2.479 335 D HA 0.005 4.645 4.640 -0.000 0.000 0.257 335 D C -2.098 174.193 176.300 -0.015 0.000 1.230 335 D CA -0.743 53.242 54.000 -0.025 0.000 0.912 335 D CB 0.472 41.264 40.800 -0.015 0.000 1.130 335 D HN 0.231 nan 8.370 nan 0.000 0.515 336 P HA -0.043 nan 4.420 nan 0.000 0.301 336 P C -0.246 177.057 177.300 0.005 0.000 1.560 336 P CA 0.391 63.491 63.100 0.000 0.000 0.784 336 P CB 0.262 31.963 31.700 0.002 0.000 1.715 337 D N -1.393 119.013 120.400 0.010 0.000 2.335 337 D HA 0.084 4.724 4.640 -0.000 0.000 0.284 337 D C 0.634 176.955 176.300 0.034 0.000 1.096 337 D CA -0.123 53.883 54.000 0.010 0.000 0.844 337 D CB 0.221 41.017 40.800 -0.006 0.000 1.454 337 D HN -0.003 nan 8.370 nan 0.000 0.526 338 R N 1.609 122.149 120.500 0.067 0.000 2.351 338 R HA 0.154 4.494 4.340 -0.000 0.000 0.318 338 R C -0.264 176.153 176.300 0.195 0.000 1.055 338 R CA 0.175 56.372 56.100 0.162 0.000 0.968 338 R CB 0.265 30.694 30.300 0.216 0.000 0.974 338 R HN -0.205 nan 8.270 nan 0.000 0.439 339 K N 4.714 125.197 120.400 0.138 0.000 2.262 339 K HA -0.002 4.318 4.320 -0.000 0.000 0.288 339 K C -0.387 176.279 176.600 0.110 0.000 1.090 339 K CA -0.088 56.254 56.287 0.092 0.000 0.918 339 K CB 0.598 33.092 32.500 -0.011 0.000 1.139 339 K HN 0.467 nan 8.250 nan 0.000 0.462 340 W N 4.277 125.524 121.300 -0.088 0.000 2.126 340 W HA 0.138 4.797 4.660 -0.000 0.000 0.346 340 W C 0.078 176.598 176.519 0.001 0.000 1.279 340 W CA -0.313 56.950 57.345 -0.136 0.000 1.259 340 W CB 1.182 30.482 29.460 -0.266 0.000 1.133 340 W HN 0.275 nan 8.180 nan 0.000 0.592 341 M N 4.474 123.727 119.600 -0.579 0.000 2.060 341 M HA 0.113 4.593 4.480 -0.000 0.000 0.231 341 M C -1.199 175.045 176.300 -0.093 0.000 0.936 341 M CA -0.044 55.103 55.300 -0.254 0.000 0.981 341 M CB 0.741 33.023 32.600 -0.529 0.000 2.216 341 M HN 0.133 nan 8.290 nan 0.000 0.399 342 S N 4.334 120.227 115.700 0.321 0.000 2.545 342 S HA 0.715 5.185 4.470 -0.000 0.000 0.275 342 S C -0.309 174.655 174.600 0.607 0.000 1.299 342 S CA -0.481 58.095 58.200 0.628 0.000 1.048 342 S CB 1.120 64.981 63.200 1.101 0.000 0.938 342 S HN 0.645 nan 8.310 nan 0.000 0.496 343 L N 2.839 124.422 121.223 0.601 0.000 2.381 343 L HA 0.808 5.148 4.340 -0.000 0.000 0.268 343 L C -0.985 176.203 176.870 0.529 0.000 0.997 343 L CA -0.533 54.560 54.840 0.421 0.000 0.818 343 L CB 1.577 43.811 42.059 0.292 0.000 1.310 343 L HN 0.943 nan 8.230 nan 0.000 0.416 344 W N 1.321 122.684 121.300 0.105 0.000 3.372 344 W HA 0.823 5.483 4.660 -0.000 0.000 0.315 344 W C -1.112 175.423 176.519 0.026 0.000 1.223 344 W CA -0.486 56.843 57.345 -0.027 0.000 1.202 344 W CB 0.906 30.224 29.460 -0.235 0.000 1.367 344 W HN 0.386 nan 8.180 nan 0.000 0.531 345 T N 1.425 116.087 114.554 0.180 0.000 2.511 345 T HA 0.169 4.519 4.350 -0.000 0.000 0.209 345 T C 1.307 176.174 174.700 0.278 0.000 0.805 345 T CA -0.617 61.581 62.100 0.164 0.000 1.241 345 T CB 0.076 69.023 68.868 0.132 0.000 1.785 345 T HN 0.484 nan 8.240 nan 0.000 0.492 346 M N 1.520 121.272 119.600 0.253 0.000 2.435 346 M HA 0.018 4.498 4.480 -0.000 0.000 0.262 346 M C 2.333 178.825 176.300 0.320 0.000 1.065 346 M CA 1.089 56.560 55.300 0.284 0.000 1.076 346 M CB -1.975 30.772 32.600 0.245 0.000 1.403 346 M HN 0.783 nan 8.290 nan 0.000 0.454 347 G N -0.158 108.819 108.800 0.296 0.000 2.446 347 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 347 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 347 G C 1.302 176.533 174.900 0.552 0.000 1.168 347 G CA 0.553 45.854 45.100 0.335 0.000 0.771 347 G HN 0.311 nan 8.290 nan 0.000 0.551 348 F N 1.139 121.305 119.950 0.361 0.000 2.317 348 F HA 0.149 4.676 4.527 -0.000 0.000 0.293 348 F C 2.409 178.358 175.800 0.249 0.000 1.085 348 F CA 0.428 58.591 58.000 0.270 0.000 1.390 348 F CB -0.792 38.271 39.000 0.106 0.000 1.077 348 F HN 0.077 nan 8.300 nan 0.000 0.517 349 N N 0.186 119.182 118.700 0.494 0.000 2.171 349 N HA -0.125 4.615 4.740 -0.000 0.000 0.184 349 N C 0.651 176.344 175.510 0.305 0.000 1.021 349 N CA 0.844 54.108 53.050 0.357 0.000 0.854 349 N CB -0.403 38.292 38.487 0.347 0.000 0.994 349 N HN 0.318 nan 8.380 nan 0.000 0.426 350 Q N 0.437 120.433 119.800 0.327 0.000 3.122 350 Q HA 0.098 4.438 4.340 -0.000 0.000 0.360 350 Q C -0.729 175.418 176.000 0.245 0.000 1.300 350 Q CA -0.001 55.970 55.803 0.279 0.000 0.982 350 Q CB 0.018 28.967 28.738 0.351 0.000 1.534 350 Q HN 0.301 nan 8.270 nan 0.000 0.474 351 H N 0.592 119.732 119.070 0.117 0.000 2.609 351 H HA 0.104 4.660 4.556 -0.000 0.000 0.344 351 H C 0.873 176.191 175.328 -0.017 0.000 1.040 351 H CA -0.700 55.395 56.048 0.078 0.000 1.216 351 H CB 1.791 31.614 29.762 0.102 0.000 1.529 351 H HN 0.184 nan 8.280 nan 0.000 0.519 352 V N 3.009 123.055 119.914 0.219 0.000 3.140 352 V HA -0.001 4.119 4.120 -0.000 0.000 0.269 352 V C 0.914 176.920 176.094 -0.147 0.000 1.149 352 V CA 1.251 63.586 62.300 0.059 0.000 1.162 352 V CB -0.469 31.447 31.823 0.156 0.000 0.756 352 V HN 0.457 nan 8.190 nan 0.000 0.523 353 R N 0.194 120.632 120.500 -0.103 0.000 2.698 353 R HA 0.370 4.710 4.340 -0.000 0.000 0.422 353 R C 1.532 177.489 176.300 -0.571 0.000 1.073 353 R CA 0.488 56.237 56.100 -0.585 0.000 1.054 353 R CB 0.521 30.450 30.300 -0.618 0.000 1.373 353 R HN 0.470 nan 8.270 nan 0.000 0.593 354 G N 0.179 108.800 108.800 -0.299 0.000 2.421 354 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 354 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 354 G C 1.291 176.066 174.900 -0.208 0.000 1.171 354 G CA 0.631 45.608 45.100 -0.205 0.000 0.775 354 G HN 0.146 nan 8.290 nan 0.000 0.543 355 V N -0.256 119.582 119.914 -0.126 0.000 2.332 355 V HA -0.181 3.938 4.120 -0.000 0.000 0.248 355 V C 2.579 178.751 176.094 0.128 0.000 1.055 355 V CA 1.719 64.013 62.300 -0.011 0.000 1.038 355 V CB -0.553 31.314 31.823 0.073 0.000 0.651 355 V HN 0.510 nan 8.190 nan 0.000 0.450 356 W N 0.157 121.369 121.300 -0.146 0.000 2.358 356 W HA -0.067 4.593 4.660 -0.000 0.000 0.303 356 W C 2.721 179.019 176.519 -0.368 0.000 1.208 356 W CA 1.165 58.412 57.345 -0.164 0.000 1.274 356 W CB -1.512 27.818 29.460 -0.217 0.000 1.138 356 W HN 0.267 nan 8.180 nan 0.000 0.515 357 A N 0.547 123.128 122.820 -0.398 0.000 1.865 357 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 357 A C 2.062 178.985 177.584 -1.102 0.000 1.191 357 A CA 1.992 53.436 52.037 -0.988 0.000 0.623 357 A CB -1.149 16.983 19.000 -1.447 0.000 0.826 357 A HN 0.365 nan 8.150 nan 0.000 0.444 358 N N -1.175 117.055 118.700 -0.785 0.000 2.036 358 N HA -0.212 4.528 4.740 -0.000 0.000 0.195 358 N C 1.734 176.896 175.510 -0.580 0.000 1.037 358 N CA 1.706 54.314 53.050 -0.737 0.000 0.855 358 N CB -0.498 37.801 38.487 -0.312 0.000 1.033 358 N HN 0.584 nan 8.380 nan 0.000 0.423 359 H N 1.201 120.135 119.070 -0.227 0.000 2.265 359 H HA -0.106 4.449 4.556 -0.000 0.000 0.293 359 H C 2.318 177.512 175.328 -0.224 0.000 1.089 359 H CA 1.417 57.404 56.048 -0.101 0.000 1.244 359 H CB -0.378 29.322 29.762 -0.104 0.000 1.355 359 H HN 0.301 nan 8.280 nan 0.000 0.485 360 M N 0.268 119.736 119.600 -0.219 0.000 2.195 360 M HA -0.156 4.324 4.480 -0.000 0.000 0.260 360 M C 2.496 178.546 176.300 -0.417 0.000 1.066 360 M CA 1.349 56.466 55.300 -0.305 0.000 1.089 360 M CB -0.309 32.051 32.600 -0.399 0.000 1.377 360 M HN 0.056 nan 8.290 nan 0.000 0.411 361 V N -1.562 117.958 119.914 -0.656 0.000 2.379 361 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 361 V C 1.950 177.898 176.094 -0.244 0.000 1.044 361 V CA 1.616 63.531 62.300 -0.642 0.000 1.036 361 V CB -1.473 29.716 31.823 -1.058 0.000 0.664 361 V HN 0.357 nan 8.190 nan 0.000 0.453 362 Y N 1.404 121.618 120.300 -0.142 0.000 2.165 362 Y HA -0.199 4.351 4.550 -0.000 0.000 0.286 362 Y C 2.805 178.720 175.900 0.025 0.000 1.155 362 Y CA 1.547 59.672 58.100 0.043 0.000 1.164 362 Y CB -0.534 37.925 38.460 -0.003 0.000 0.978 362 Y HN 0.276 nan 8.280 nan 0.000 0.513 363 N N 0.570 119.302 118.700 0.054 0.000 2.037 363 N HA -0.209 4.531 4.740 -0.000 0.000 0.196 363 N C 1.792 177.297 175.510 -0.009 0.000 1.034 363 N CA 1.624 54.651 53.050 -0.039 0.000 0.861 363 N CB -0.844 37.621 38.487 -0.036 0.000 1.039 363 N HN 0.337 nan 8.380 nan 0.000 0.427 364 L N 0.011 121.196 121.223 -0.064 0.000 2.079 364 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 364 L C 2.248 179.074 176.870 -0.073 0.000 1.081 364 L CA 1.240 55.985 54.840 -0.159 0.000 0.752 364 L CB -0.599 41.165 42.059 -0.492 0.000 0.896 364 L HN 0.368 nan 8.230 nan 0.000 0.433 365 H N -0.104 119.034 119.070 0.114 0.000 2.343 365 H HA -0.019 4.536 4.556 -0.000 0.000 0.303 365 H C 2.458 177.837 175.328 0.086 0.000 1.068 365 H CA 1.284 57.442 56.048 0.184 0.000 1.359 365 H CB 0.052 29.999 29.762 0.308 0.000 1.402 365 H HN 0.289 nan 8.280 nan 0.000 0.515 366 L N 0.237 121.594 121.223 0.223 0.000 1.989 366 L HA -0.212 4.128 4.340 -0.000 0.000 0.211 366 L C 2.516 179.460 176.870 0.125 0.000 1.071 366 L CA 0.608 55.573 54.840 0.208 0.000 0.749 366 L CB -0.453 41.644 42.059 0.062 0.000 0.890 366 L HN 0.137 nan 8.230 nan 0.000 0.431 367 L N -0.078 121.163 121.223 0.030 0.000 2.081 367 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 367 L C 2.682 179.565 176.870 0.022 0.000 1.080 367 L CA 2.467 57.321 54.840 0.023 0.000 0.754 367 L CB -1.268 40.811 42.059 0.033 0.000 0.893 367 L HN 0.511 nan 8.230 nan 0.000 0.433 368 T N -5.004 109.535 114.554 -0.025 0.000 3.044 368 T HA 0.321 4.671 4.350 -0.000 0.000 0.250 368 T C 1.396 175.986 174.700 -0.182 0.000 1.081 368 T CA 0.391 62.456 62.100 -0.059 0.000 1.040 368 T CB 0.106 68.949 68.868 -0.040 0.000 0.962 368 T HN 0.395 nan 8.240 nan 0.000 0.506 369 G N 2.030 110.564 108.800 -0.443 0.000 2.176 369 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.252 369 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.252 369 G C -0.079 174.489 174.900 -0.554 0.000 1.024 369 G CA -0.022 44.383 45.100 -1.158 0.000 0.755 369 G HN 0.597 nan 8.290 nan 0.000 0.507 370 K N 0.026 120.318 120.400 -0.179 0.000 2.319 370 K HA 0.656 4.976 4.320 -0.000 0.000 0.237 370 K C -0.116 176.645 176.600 0.267 0.000 1.113 370 K CA -0.246 56.089 56.287 0.080 0.000 1.072 370 K CB 0.801 33.415 32.500 0.190 0.000 1.734 370 K HN 0.496 nan 8.250 nan 0.000 0.429 371 I N -1.251 119.404 120.570 0.142 0.000 2.882 371 I HA 0.025 4.195 4.170 -0.000 0.000 0.298 371 I C -0.724 175.515 176.117 0.204 0.000 1.462 371 I CA -0.213 61.237 61.300 0.250 0.000 1.000 371 I CB 2.194 40.445 38.000 0.418 0.000 1.340 371 I HN 0.395 nan 8.210 nan 0.000 0.462 372 S N 2.698 118.532 115.700 0.223 0.000 3.581 372 S HA -0.181 4.289 4.470 -0.000 0.000 0.354 372 S C -0.408 174.172 174.600 -0.034 0.000 1.059 372 S CA 1.218 59.526 58.200 0.179 0.000 1.060 372 S CB -1.323 62.015 63.200 0.230 0.000 0.908 372 S HN 0.697 nan 8.310 nan 0.000 0.475 373 E N 0.362 120.433 120.200 -0.215 0.000 2.367 373 E HA 0.350 4.699 4.350 -0.000 0.000 0.273 373 E C -2.867 173.228 176.600 -0.843 0.000 0.903 373 E CA -2.623 53.456 56.400 -0.534 0.000 0.764 373 E CB 1.845 31.406 29.700 -0.232 0.000 1.252 373 E HN -0.050 nan 8.360 nan 0.000 0.446 374 P HA -0.020 nan 4.420 nan 0.000 0.266 374 P C 0.614 177.747 177.300 -0.278 0.000 1.215 374 P CA 1.019 63.623 63.100 -0.826 0.000 0.763 374 P CB 0.540 31.712 31.700 -0.881 0.000 0.806 375 G N 3.848 112.596 108.800 -0.087 0.000 2.317 375 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.227 375 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.227 375 G C 0.217 175.069 174.900 -0.079 0.000 1.042 375 G CA -0.308 44.735 45.100 -0.095 0.000 0.623 375 G HN 0.569 nan 8.290 nan 0.000 0.509 376 N N 1.066 119.743 118.700 -0.038 0.000 2.527 376 N HA 0.552 5.292 4.740 -0.000 0.000 0.236 376 N C -0.505 175.082 175.510 0.129 0.000 0.999 376 N CA 0.585 53.678 53.050 0.071 0.000 0.935 376 N CB 1.248 39.775 38.487 0.067 0.000 1.132 376 N HN 0.649 nan 8.380 nan 0.000 0.511 377 S N 2.292 118.087 115.700 0.157 0.000 2.548 377 S HA 0.426 4.896 4.470 -0.000 0.000 0.278 377 S C -3.263 171.350 174.600 0.021 0.000 1.150 377 S CA -1.226 57.044 58.200 0.117 0.000 0.907 377 S CB 2.249 65.547 63.200 0.164 0.000 1.108 377 S HN 0.136 nan 8.310 nan 0.000 0.459 378 P HA 0.332 nan 4.420 nan 0.000 0.273 378 P C -1.256 176.178 177.300 0.224 0.000 1.531 378 P CA -0.195 62.948 63.100 0.071 0.000 1.027 378 P CB -0.292 31.381 31.700 -0.045 0.000 1.387 379 F N 2.803 122.711 119.950 -0.070 0.000 2.404 379 F HA 0.283 4.810 4.527 -0.000 0.000 0.358 379 F C 0.861 176.140 175.800 -0.869 0.000 1.120 379 F CA -0.099 57.723 58.000 -0.297 0.000 1.144 379 F CB 1.078 39.958 39.000 -0.199 0.000 1.133 379 F HN 0.114 nan 8.300 nan 0.000 0.495 380 S N 7.077 121.967 115.700 -1.349 0.000 2.465 380 S HA 0.478 4.947 4.470 -0.000 0.000 0.279 380 S C -0.423 173.700 174.600 -0.796 0.000 1.201 380 S CA -0.744 56.589 58.200 -1.445 0.000 1.053 380 S CB -0.006 62.711 63.200 -0.805 0.000 0.953 380 S HN 0.613 nan 8.310 nan 0.000 0.488 381 L N 4.826 125.770 121.223 -0.464 0.000 2.349 381 L HA 0.347 4.687 4.340 -0.000 0.000 0.275 381 L C 0.672 177.542 176.870 -0.000 0.000 1.115 381 L CA -0.328 54.450 54.840 -0.105 0.000 0.820 381 L CB 1.193 43.092 42.059 -0.267 0.000 1.135 381 L HN 0.569 nan 8.230 nan 0.000 0.445 382 T N 1.824 116.490 114.554 0.187 0.000 2.867 382 T HA 0.301 4.651 4.350 -0.000 0.000 0.282 382 T C 0.958 175.885 174.700 0.378 0.000 1.000 382 T CA -0.104 62.139 62.100 0.240 0.000 1.042 382 T CB 1.861 70.855 68.868 0.209 0.000 0.973 382 T HN 0.806 nan 8.240 nan 0.000 0.465 383 G N 1.608 110.601 108.800 0.321 0.000 2.547 383 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.214 383 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.214 383 G C 0.505 175.614 174.900 0.348 0.000 1.254 383 G CA 0.425 45.719 45.100 0.324 0.000 0.817 383 G HN 0.647 nan 8.290 nan 0.000 0.551 384 Q N 0.739 120.747 119.800 0.346 0.000 2.535 384 Q HA 0.135 4.474 4.340 -0.000 0.000 0.228 384 Q C -1.237 174.873 176.000 0.183 0.000 1.062 384 Q CA -1.134 54.902 55.803 0.388 0.000 0.967 384 Q CB 0.920 29.844 28.738 0.309 0.000 1.273 384 Q HN 0.152 nan 8.270 nan 0.000 0.554 385 P HA -0.160 nan 4.420 nan 0.000 0.217 385 P C 0.129 177.262 177.300 -0.278 0.000 1.150 385 P CA 1.785 64.715 63.100 -0.284 0.000 0.832 385 P CB 0.110 31.341 31.700 -0.780 0.000 0.787 386 F N -1.677 118.103 119.950 -0.283 0.000 2.677 386 F HA 0.757 5.284 4.527 -0.000 0.000 0.388 386 F C 1.711 177.560 175.800 0.082 0.000 1.400 386 F CA -0.215 57.761 58.000 -0.039 0.000 1.162 386 F CB -0.405 38.638 39.000 0.072 0.000 1.135 386 F HN 0.072 nan 8.300 nan 0.000 0.516 387 A N -1.050 121.840 122.820 0.116 0.000 2.015 387 A HA -0.003 4.317 4.320 -0.000 0.000 0.219 387 A C 2.181 179.895 177.584 0.217 0.000 1.163 387 A CA 2.011 54.151 52.037 0.172 0.000 0.646 387 A CB -1.105 18.018 19.000 0.206 0.000 0.806 387 A HN 0.679 nan 8.150 nan 0.000 0.448 388 C N -1.506 117.912 119.300 0.195 0.000 2.961 388 C HA 0.201 4.661 4.460 -0.000 0.000 0.287 388 C C 3.069 178.191 174.990 0.219 0.000 1.310 388 C CA 0.548 59.694 59.018 0.214 0.000 1.709 388 C CB -1.457 26.397 27.740 0.189 0.000 2.163 388 C HN 0.626 nan 8.230 nan 0.000 0.517 389 G N -0.026 108.894 108.800 0.199 0.000 2.550 389 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.222 389 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.222 389 G C 1.454 176.419 174.900 0.108 0.000 1.113 389 G CA 2.259 47.466 45.100 0.179 0.000 0.748 389 G HN 0.586 nan 8.290 nan 0.000 0.585 390 T N 0.072 114.695 114.554 0.117 0.000 3.499 390 T HA 0.449 4.798 4.350 -0.000 0.000 0.227 390 T C 2.719 177.492 174.700 0.123 0.000 0.946 390 T CA 0.869 63.012 62.100 0.071 0.000 1.368 390 T CB -0.717 68.230 68.868 0.131 0.000 1.227 390 T HN 0.286 nan 8.240 nan 0.000 0.398 391 A N 2.226 125.144 122.820 0.164 0.000 1.870 391 A HA -0.278 4.042 4.320 -0.000 0.000 0.219 391 A C 2.290 180.167 177.584 0.488 0.000 1.224 391 A CA 2.393 54.534 52.037 0.174 0.000 0.650 391 A CB -0.763 18.265 19.000 0.047 0.000 0.836 391 A HN 0.454 nan 8.150 nan 0.000 0.454 392 R N -0.845 119.949 120.500 0.491 0.000 2.064 392 R HA -0.070 4.269 4.340 -0.000 0.000 0.228 392 R C 2.349 178.771 176.300 0.204 0.000 1.144 392 R CA 1.598 57.927 56.100 0.381 0.000 0.932 392 R CB -0.487 29.972 30.300 0.264 0.000 0.833 392 R HN 0.714 nan 8.270 nan 0.000 0.429 393 E N 0.226 120.528 120.200 0.170 0.000 2.058 393 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 393 E C 1.905 178.558 176.600 0.087 0.000 0.997 393 E CA 1.477 57.931 56.400 0.090 0.000 0.801 393 E CB -0.039 29.725 29.700 0.108 0.000 0.746 393 E HN 0.085 nan 8.360 nan 0.000 0.450 394 V N 0.029 119.973 119.914 0.050 0.000 3.041 394 V HA 0.004 4.124 4.120 -0.000 0.000 0.260 394 V C 1.026 177.151 176.094 0.050 0.000 1.105 394 V CA 0.873 63.162 62.300 -0.019 0.000 1.125 394 V CB -0.619 31.044 31.823 -0.268 0.000 0.730 394 V HN 0.511 nan 8.190 nan 0.000 0.479 395 G N 0.966 109.833 108.800 0.113 0.000 2.587 395 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.274 395 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.274 395 G C 0.156 175.165 174.900 0.182 0.000 1.046 395 G CA 0.295 45.485 45.100 0.150 0.000 1.308 395 G HN 0.356 nan 8.290 nan 0.000 0.529 396 T N 1.315 116.031 114.554 0.271 0.000 3.275 396 T HA 0.478 4.828 4.350 -0.000 0.000 0.265 396 T C -0.057 174.624 174.700 -0.032 0.000 0.978 396 T CA -0.004 62.159 62.100 0.104 0.000 0.923 396 T CB -0.152 68.766 68.868 0.083 0.000 1.126 396 T HN 0.389 nan 8.240 nan 0.000 0.538 397 F N 0.210 120.185 119.950 0.042 0.000 2.522 397 F HA 0.623 5.150 4.527 -0.000 0.000 0.324 397 F C 1.407 177.252 175.800 0.075 0.000 1.077 397 F CA -1.633 56.422 58.000 0.090 0.000 0.944 397 F CB 0.878 39.948 39.000 0.117 0.000 1.175 397 F HN 0.089 nan 8.300 nan 0.000 0.468 398 A N 1.098 124.132 122.820 0.356 0.000 1.985 398 A HA -0.266 4.054 4.320 -0.000 0.000 0.223 398 A C 1.716 179.429 177.584 0.215 0.000 1.189 398 A CA 2.537 54.740 52.037 0.276 0.000 0.658 398 A CB -1.245 17.961 19.000 0.342 0.000 0.820 398 A HN 0.863 nan 8.150 nan 0.000 0.464 399 H N -2.434 116.744 119.070 0.180 0.000 2.542 399 H HA 0.459 5.015 4.556 -0.000 0.000 0.283 399 H C 0.551 175.931 175.328 0.087 0.000 1.059 399 H CA -0.065 56.050 56.048 0.112 0.000 1.162 399 H CB -0.158 29.675 29.762 0.120 0.000 1.539 399 H HN 0.428 nan 8.280 nan 0.000 0.543 400 R N 0.442 120.730 120.500 -0.353 0.000 2.892 400 R HA 0.658 4.998 4.340 -0.000 0.000 0.265 400 R C -1.101 175.118 176.300 -0.135 0.000 1.025 400 R CA -0.769 55.125 56.100 -0.344 0.000 0.982 400 R CB 2.101 32.130 30.300 -0.452 0.000 1.185 400 R HN 0.128 nan 8.270 nan 0.000 0.484 401 L N 1.246 122.381 121.223 -0.146 0.000 2.277 401 L HA 0.578 4.918 4.340 -0.000 0.000 0.254 401 L C -2.255 174.487 176.870 -0.214 0.000 1.044 401 L CA -2.521 52.224 54.840 -0.158 0.000 0.842 401 L CB 2.488 44.436 42.059 -0.185 0.000 1.422 401 L HN 0.471 nan 8.230 nan 0.000 0.422 402 P HA -0.050 nan 4.420 nan 0.000 0.270 402 P C -0.458 176.638 177.300 -0.340 0.000 1.221 402 P CA 0.206 63.085 63.100 -0.368 0.000 0.788 402 P CB 0.286 31.432 31.700 -0.924 0.000 0.904 403 A N 1.695 124.275 122.820 -0.401 0.000 2.364 403 A HA -0.241 4.079 4.320 -0.000 0.000 0.288 403 A C 0.746 178.003 177.584 -0.546 0.000 1.433 403 A CA 1.256 52.870 52.037 -0.706 0.000 0.757 403 A CB -2.413 16.192 19.000 -0.658 0.000 1.098 403 A HN 0.699 nan 8.150 nan 0.000 0.380 404 D N -2.937 117.264 120.400 -0.332 0.000 3.079 404 D HA -0.203 4.437 4.640 -0.000 0.000 0.214 404 D C 0.274 176.460 176.300 -0.191 0.000 1.145 404 D CA 2.001 55.906 54.000 -0.159 0.000 0.958 404 D CB -1.497 39.296 40.800 -0.012 0.000 1.117 404 D HN 0.870 nan 8.370 nan 0.000 0.416 405 M N 0.231 119.640 119.600 -0.318 0.000 2.274 405 M HA 0.361 4.841 4.480 -0.000 0.000 0.344 405 M C 0.596 176.801 176.300 -0.159 0.000 1.161 405 M CA -0.434 54.576 55.300 -0.483 0.000 1.126 405 M CB 1.816 34.025 32.600 -0.653 0.000 1.522 405 M HN -0.304 nan 8.290 nan 0.000 0.461 406 V N 2.606 122.584 119.914 0.107 0.000 2.612 406 V HA 0.154 4.274 4.120 -0.000 0.000 0.301 406 V C 0.875 177.056 176.094 0.144 0.000 1.046 406 V CA -0.536 61.854 62.300 0.150 0.000 0.946 406 V CB 1.875 33.842 31.823 0.241 0.000 1.003 406 V HN 0.799 nan 8.190 nan 0.000 0.459 407 V N 2.758 122.710 119.914 0.064 0.000 2.626 407 V HA -0.173 3.947 4.120 -0.000 0.000 0.252 407 V C 2.257 178.377 176.094 0.043 0.000 1.067 407 V CA 2.502 64.814 62.300 0.020 0.000 1.081 407 V CB -0.275 31.524 31.823 -0.040 0.000 0.686 407 V HN 1.149 nan 8.190 nan 0.000 0.468 408 T N -0.322 114.282 114.554 0.084 0.000 2.614 408 T HA -0.147 4.203 4.350 -0.000 0.000 0.263 408 T C 1.152 175.873 174.700 0.035 0.000 1.055 408 T CA 0.972 63.116 62.100 0.074 0.000 1.162 408 T CB -0.410 68.515 68.868 0.096 0.000 0.863 408 T HN 0.463 nan 8.240 nan 0.000 0.414 409 N N 2.679 121.392 118.700 0.021 0.000 2.365 409 N HA -0.026 4.714 4.740 -0.000 0.000 0.265 409 N C -2.158 173.293 175.510 -0.097 0.000 1.288 409 N CA -1.229 51.757 53.050 -0.107 0.000 0.869 409 N CB 1.446 39.728 38.487 -0.343 0.000 1.071 409 N HN 0.061 nan 8.380 nan 0.000 0.480 410 P HA -0.021 nan 4.420 nan 0.000 0.222 410 P C 0.743 178.003 177.300 -0.066 0.000 1.153 410 P CA 0.847 63.913 63.100 -0.056 0.000 0.798 410 P CB 0.413 32.088 31.700 -0.043 0.000 0.796 411 E N -0.854 119.269 120.200 -0.129 0.000 2.072 411 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 411 E C 1.921 178.518 176.600 -0.005 0.000 0.985 411 E CA 1.185 57.524 56.400 -0.101 0.000 0.801 411 E CB -0.827 28.776 29.700 -0.162 0.000 0.750 411 E HN 0.445 nan 8.360 nan 0.000 0.452 412 H N 0.896 119.958 119.070 -0.013 0.000 2.299 412 H HA 0.027 4.583 4.556 -0.000 0.000 0.302 412 H C 2.233 177.552 175.328 -0.015 0.000 1.078 412 H CA 1.124 57.175 56.048 0.005 0.000 1.323 412 H CB -0.391 29.366 29.762 -0.008 0.000 1.381 412 H HN 0.062 nan 8.280 nan 0.000 0.498 413 R N 0.353 120.907 120.500 0.090 0.000 2.113 413 R HA -0.185 4.155 4.340 -0.000 0.000 0.244 413 R C 2.388 178.665 176.300 -0.037 0.000 1.142 413 R CA 1.502 57.598 56.100 -0.007 0.000 0.953 413 R CB -0.267 30.023 30.300 -0.017 0.000 0.860 413 R HN 0.325 nan 8.270 nan 0.000 0.438 414 A N -0.148 122.665 122.820 -0.011 0.000 1.877 414 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 414 A C 1.932 179.508 177.584 -0.013 0.000 1.186 414 A CA 1.910 53.935 52.037 -0.020 0.000 0.620 414 A CB -0.897 18.097 19.000 -0.010 0.000 0.822 414 A HN 0.508 nan 8.150 nan 0.000 0.443 415 H N 0.321 119.329 119.070 -0.104 0.000 2.353 415 H HA -0.073 4.483 4.556 -0.000 0.000 0.298 415 H C 2.158 177.318 175.328 -0.280 0.000 1.103 415 H CA 1.961 57.907 56.048 -0.169 0.000 1.293 415 H CB -0.427 29.253 29.762 -0.138 0.000 1.372 415 H HN 0.387 nan 8.280 nan 0.000 0.501 416 A N 0.535 123.180 122.820 -0.292 0.000 1.898 416 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 416 A C 2.329 179.607 177.584 -0.511 0.000 1.181 416 A CA 1.668 53.385 52.037 -0.533 0.000 0.620 416 A CB -0.459 18.185 19.000 -0.593 0.000 0.819 416 A HN 0.652 nan 8.150 nan 0.000 0.442 417 E N -0.177 119.872 120.200 -0.251 0.000 2.077 417 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 417 E C 1.968 178.520 176.600 -0.080 0.000 0.989 417 E CA 1.213 57.549 56.400 -0.107 0.000 0.800 417 E CB -0.123 29.524 29.700 -0.087 0.000 0.746 417 E HN 0.601 nan 8.360 nan 0.000 0.452 418 E N 0.496 120.621 120.200 -0.125 0.000 2.110 418 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 418 E C 2.195 178.721 176.600 -0.123 0.000 0.988 418 E CA 0.843 57.187 56.400 -0.093 0.000 0.804 418 E CB -0.114 29.544 29.700 -0.070 0.000 0.745 418 E HN 0.388 nan 8.360 nan 0.000 0.458 419 I N -0.416 119.987 120.570 -0.278 0.000 2.406 419 I HA -0.162 4.008 4.170 -0.000 0.000 0.249 419 I C 1.715 177.879 176.117 0.079 0.000 1.122 419 I CA 0.556 61.704 61.300 -0.253 0.000 1.431 419 I CB -0.146 37.433 38.000 -0.702 0.000 1.087 419 I HN 0.106 nan 8.210 nan 0.000 0.424 420 W N 1.931 123.208 121.300 -0.039 0.000 3.204 420 W HA 0.092 4.752 4.660 -0.000 0.000 0.249 420 W C 0.563 177.061 176.519 -0.034 0.000 1.322 420 W CA -0.399 56.936 57.345 -0.016 0.000 1.593 420 W CB -1.077 28.369 29.460 -0.023 0.000 1.122 420 W HN 0.078 nan 8.180 nan 0.000 0.710 421 K N 0.339 120.842 120.400 0.172 0.000 3.653 421 K HA -0.206 4.114 4.320 -0.000 0.000 0.275 421 K C -0.327 176.383 176.600 0.183 0.000 0.962 421 K CA 0.304 56.676 56.287 0.142 0.000 0.773 421 K CB -1.781 30.791 32.500 0.120 0.000 1.463 421 K HN 0.120 nan 8.250 nan 0.000 0.450 422 L N 0.638 121.923 121.223 0.103 0.000 2.323 422 L HA 0.599 4.939 4.340 -0.000 0.000 0.265 422 L C -1.910 174.913 176.870 -0.078 0.000 1.012 422 L CA -2.457 52.352 54.840 -0.052 0.000 0.820 422 L CB 1.497 43.488 42.059 -0.114 0.000 1.334 422 L HN 0.012 nan 8.230 nan 0.000 0.427 423 P HA 0.144 nan 4.420 nan 0.000 0.276 423 P C -0.614 176.599 177.300 -0.143 0.000 1.230 423 P CA -0.319 62.718 63.100 -0.105 0.000 0.776 423 P CB 1.026 32.633 31.700 -0.155 0.000 0.888 424 A N 2.805 125.590 122.820 -0.059 0.000 2.555 424 A HA 0.351 4.670 4.320 -0.000 0.000 0.233 424 A C 1.564 179.095 177.584 -0.089 0.000 1.060 424 A CA 0.788 52.788 52.037 -0.062 0.000 0.759 424 A CB -1.334 17.650 19.000 -0.026 0.000 0.995 424 A HN 0.932 nan 8.150 nan 0.000 0.506 425 G N 0.451 109.201 108.800 -0.083 0.000 2.168 425 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.257 425 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.257 425 G C 0.640 175.464 174.900 -0.126 0.000 0.997 425 G CA 0.842 45.895 45.100 -0.078 0.000 0.708 425 G HN 1.415 nan 8.290 nan 0.000 0.520 426 L N -0.483 120.615 121.223 -0.209 0.000 2.034 426 L HA 0.456 4.796 4.340 -0.000 0.000 0.203 426 L C 1.556 178.285 176.870 -0.235 0.000 1.074 426 L CA 0.956 55.591 54.840 -0.343 0.000 0.748 426 L CB -0.481 41.210 42.059 -0.614 0.000 0.905 426 L HN 0.232 nan 8.230 nan 0.000 0.439 427 L N 1.318 122.442 121.223 -0.164 0.000 2.559 427 L HA 0.080 4.420 4.340 -0.000 0.000 0.282 427 L C -1.980 174.850 176.870 -0.065 0.000 1.232 427 L CA -0.735 54.050 54.840 -0.092 0.000 0.885 427 L CB -0.829 41.195 42.059 -0.058 0.000 1.131 427 L HN 0.120 nan 8.230 nan 0.000 0.498 428 P HA 0.132 nan 4.420 nan 0.000 0.275 428 P C -0.377 176.848 177.300 -0.124 0.000 1.228 428 P CA -0.219 62.843 63.100 -0.064 0.000 0.786 428 P CB 0.556 32.105 31.700 -0.252 0.000 0.927 429 D N 0.963 121.384 120.400 0.035 0.000 2.366 429 D HA 0.000 4.640 4.640 -0.000 0.000 0.205 429 D C 0.280 176.643 176.300 0.104 0.000 1.022 429 D CA 0.236 54.270 54.000 0.056 0.000 0.868 429 D CB -0.083 40.781 40.800 0.108 0.000 0.953 429 D HN 0.468 nan 8.370 nan 0.000 0.514 430 W N 2.396 123.738 121.300 0.070 0.000 2.216 430 W HA 0.433 5.093 4.660 -0.000 0.000 0.326 430 W C -0.373 176.214 176.519 0.113 0.000 1.319 430 W CA -1.125 56.271 57.345 0.085 0.000 1.213 430 W CB 0.246 29.752 29.460 0.077 0.000 1.171 430 W HN -0.415 nan 8.180 nan 0.000 0.557 431 V N 4.707 124.805 119.914 0.306 0.000 2.555 431 V HA 0.285 4.405 4.120 -0.000 0.000 0.286 431 V C 1.284 177.583 176.094 0.341 0.000 1.044 431 V CA 0.199 62.641 62.300 0.236 0.000 1.026 431 V CB 0.230 32.202 31.823 0.248 0.000 0.981 431 V HN 0.770 nan 8.190 nan 0.000 0.480 432 G N 3.186 112.118 108.800 0.221 0.000 2.621 432 G HA2 0.497 4.457 3.960 -0.000 0.000 0.271 432 G HA3 0.497 4.457 3.960 -0.000 0.000 0.271 432 G C 0.069 175.158 174.900 0.315 0.000 1.236 432 G CA -0.113 45.175 45.100 0.314 0.000 0.958 432 G HN 1.131 nan 8.290 nan 0.000 0.512 433 A N 0.241 123.234 122.820 0.288 0.000 2.404 433 A HA 0.536 4.856 4.320 -0.000 0.000 0.273 433 A C 0.411 178.091 177.584 0.159 0.000 1.144 433 A CA -0.477 51.648 52.037 0.147 0.000 0.806 433 A CB -0.544 18.523 19.000 0.112 0.000 1.080 433 A HN 0.958 nan 8.150 nan 0.000 0.509 434 H N 0.760 119.970 119.070 0.233 0.000 2.660 434 H HA 0.595 5.151 4.556 -0.000 0.000 0.374 434 H C 1.291 176.755 175.328 0.226 0.000 1.291 434 H CA -0.171 56.028 56.048 0.251 0.000 1.437 434 H CB 0.398 30.299 29.762 0.232 0.000 1.509 434 H HN 0.597 nan 8.280 nan 0.000 0.614 435 A N 1.655 124.732 122.820 0.428 0.000 1.882 435 A HA -0.291 4.029 4.320 -0.000 0.000 0.220 435 A C 2.474 180.178 177.584 0.200 0.000 1.253 435 A CA 2.975 55.191 52.037 0.298 0.000 0.664 435 A CB -1.444 17.727 19.000 0.285 0.000 0.838 435 A HN 0.591 nan 8.150 nan 0.000 0.460 436 V N -0.179 119.954 119.914 0.366 0.000 2.233 436 V HA -0.334 3.786 4.120 -0.000 0.000 0.247 436 V C 2.599 178.731 176.094 0.064 0.000 1.050 436 V CA 2.739 65.186 62.300 0.245 0.000 1.010 436 V CB -0.821 31.193 31.823 0.318 0.000 0.637 436 V HN 0.837 nan 8.190 nan 0.000 0.444 437 E N -0.428 119.671 120.200 -0.168 0.000 2.065 437 E HA -0.373 3.976 4.350 -0.000 0.000 0.201 437 E C 2.272 178.797 176.600 -0.124 0.000 1.016 437 E CA 2.293 58.521 56.400 -0.287 0.000 0.818 437 E CB -0.283 28.976 29.700 -0.736 0.000 0.749 437 E HN 0.645 nan 8.360 nan 0.000 0.453 438 Q N -0.054 119.692 119.800 -0.090 0.000 2.173 438 Q HA -0.245 4.095 4.340 -0.000 0.000 0.208 438 Q C 1.775 177.703 176.000 -0.119 0.000 0.989 438 Q CA 2.120 57.899 55.803 -0.040 0.000 0.872 438 Q CB 0.004 28.778 28.738 0.059 0.000 0.909 438 Q HN 0.417 nan 8.270 nan 0.000 0.420 439 D N -0.758 119.599 120.400 -0.072 0.000 2.097 439 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 439 D C 1.965 178.259 176.300 -0.010 0.000 0.984 439 D CA 0.998 54.973 54.000 -0.043 0.000 0.826 439 D CB -0.024 40.781 40.800 0.009 0.000 0.973 439 D HN 0.292 nan 8.370 nan 0.000 0.460 440 R N 1.082 121.591 120.500 0.014 0.000 2.082 440 R HA -0.067 4.273 4.340 -0.000 0.000 0.234 440 R C 2.291 178.616 176.300 0.041 0.000 1.136 440 R CA 0.892 57.028 56.100 0.060 0.000 0.935 440 R CB -0.252 30.074 30.300 0.043 0.000 0.842 440 R HN 0.131 nan 8.270 nan 0.000 0.430 441 K N 0.454 120.849 120.400 -0.009 0.000 2.286 441 K HA -0.152 4.168 4.320 -0.000 0.000 0.203 441 K C 1.914 178.493 176.600 -0.035 0.000 1.045 441 K CA 0.799 57.076 56.287 -0.017 0.000 0.935 441 K CB -0.100 32.392 32.500 -0.014 0.000 0.737 441 K HN 0.030 nan 8.250 nan 0.000 0.460 442 L N 0.144 121.324 121.223 -0.071 0.000 2.095 442 L HA -0.108 4.232 4.340 -0.000 0.000 0.204 442 L C 2.277 179.151 176.870 0.006 0.000 1.080 442 L CA 1.734 56.500 54.840 -0.122 0.000 0.759 442 L CB -0.659 41.240 42.059 -0.267 0.000 0.914 442 L HN 0.212 nan 8.230 nan 0.000 0.439 443 H N -0.034 118.999 119.070 -0.063 0.000 2.353 443 H HA -0.137 4.419 4.556 -0.000 0.000 0.300 443 H C 1.605 176.915 175.328 -0.030 0.000 1.090 443 H CA 2.052 58.081 56.048 -0.033 0.000 1.327 443 H CB -0.004 29.750 29.762 -0.013 0.000 1.383 443 H HN 0.331 nan 8.280 nan 0.000 0.508 444 D N -1.243 119.161 120.400 0.007 0.000 2.194 444 D HA 0.063 4.703 4.640 -0.000 0.000 0.204 444 D C 1.482 177.758 176.300 -0.040 0.000 0.964 444 D CA 1.440 55.392 54.000 -0.079 0.000 0.846 444 D CB -0.055 40.706 40.800 -0.065 0.000 0.962 444 D HN 0.606 nan 8.370 nan 0.000 0.490 445 G N 0.543 109.333 108.800 -0.016 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 0.832 175.730 174.900 -0.003 0.000 1.007 445 G CA 0.100 45.195 45.100 -0.008 0.000 0.672 445 G HN 0.258 nan 8.290 nan 0.000 0.507 446 E N -0.247 119.949 120.200 -0.006 0.000 2.112 446 E HA 0.110 4.460 4.350 -0.000 0.000 0.190 446 E C 1.124 177.739 176.600 0.025 0.000 0.979 446 E CA 0.578 56.980 56.400 0.003 0.000 0.814 446 E CB 0.516 30.215 29.700 -0.001 0.000 0.762 446 E HN 0.620 nan 8.360 nan 0.000 0.460 447 I N 1.870 122.451 120.570 0.019 0.000 2.339 447 I HA 0.147 4.317 4.170 -0.000 0.000 0.290 447 I C 0.384 176.531 176.117 0.050 0.000 0.994 447 I CA -0.162 61.173 61.300 0.059 0.000 1.191 447 I CB 1.170 39.190 38.000 0.034 0.000 1.343 447 I HN -0.076 nan 8.210 nan 0.000 0.458 448 N N 4.306 123.084 118.700 0.129 0.000 2.197 448 N HA 0.160 4.900 4.740 -0.000 0.000 0.201 448 N C -0.492 175.177 175.510 0.266 0.000 1.148 448 N CA -0.113 53.025 53.050 0.147 0.000 0.883 448 N CB 0.801 39.365 38.487 0.128 0.000 1.012 448 N HN 0.410 nan 8.380 nan 0.000 0.507 449 F N 1.163 121.217 119.950 0.174 0.000 2.518 449 F HA 0.482 5.009 4.527 -0.000 0.000 0.323 449 F C -1.594 174.408 175.800 0.337 0.000 1.129 449 F CA -1.018 57.132 58.000 0.250 0.000 0.920 449 F CB 1.078 40.195 39.000 0.196 0.000 1.160 449 F HN -0.168 nan 8.300 nan 0.000 0.440 450 Y N 6.189 126.264 120.300 -0.375 0.000 2.386 450 Y HA 0.394 4.944 4.550 -0.000 0.000 0.334 450 Y C -2.099 173.684 175.900 -0.196 0.000 1.002 450 Y CA -1.493 56.506 58.100 -0.169 0.000 1.068 450 Y CB 1.234 39.559 38.460 -0.224 0.000 1.203 450 Y HN 0.664 nan 8.280 nan 0.000 0.443 451 W N 7.753 128.837 121.300 -0.360 0.000 2.393 451 W HA 0.662 5.322 4.660 -0.000 0.000 0.315 451 W C -1.693 174.666 176.519 -0.268 0.000 1.009 451 W CA -1.439 55.767 57.345 -0.231 0.000 1.313 451 W CB 1.137 30.626 29.460 0.048 0.000 1.269 451 W HN 0.295 nan 8.180 nan 0.000 0.420 452 V N 6.299 126.331 119.914 0.196 0.000 2.509 452 V HA 0.402 4.522 4.120 -0.000 0.000 0.284 452 V C -0.095 176.012 176.094 0.021 0.000 1.047 452 V CA -0.413 61.927 62.300 0.068 0.000 0.952 452 V CB 1.448 33.401 31.823 0.216 0.000 0.988 452 V HN 0.415 nan 8.190 nan 0.000 0.469 453 Q N 2.145 121.827 119.800 -0.197 0.000 2.289 453 Q HA 0.465 4.804 4.340 -0.000 0.000 0.270 453 Q C -0.567 175.174 176.000 -0.432 0.000 1.038 453 Q CA -0.729 54.908 55.803 -0.277 0.000 0.812 453 Q CB 2.459 31.013 28.738 -0.306 0.000 1.300 453 Q HN 0.618 nan 8.270 nan 0.000 0.427 454 V N 2.154 121.963 119.914 -0.175 0.000 5.325 454 V HA -0.334 3.786 4.120 -0.000 0.000 0.291 454 V C -0.382 175.661 176.094 -0.087 0.000 0.541 454 V CA 1.683 63.914 62.300 -0.115 0.000 0.687 454 V CB -2.500 29.214 31.823 -0.182 0.000 0.491 454 V HN 0.938 nan 8.190 nan 0.000 1.145 455 N N -0.956 117.744 118.700 0.000 0.000 2.823 455 N HA 0.266 5.006 4.740 -0.000 0.000 0.251 455 N C -0.837 174.783 175.510 0.184 0.000 1.392 455 N CA -0.741 52.365 53.050 0.092 0.000 0.864 455 N CB 1.974 40.464 38.487 0.005 0.000 1.481 455 N HN 0.094 nan 8.380 nan 0.000 0.508 456 N N 0.570 119.411 118.700 0.236 0.000 2.735 456 N HA 0.136 4.876 4.740 -0.000 0.000 0.312 456 N C -0.107 175.544 175.510 0.234 0.000 1.843 456 N CA -0.308 52.879 53.050 0.229 0.000 0.945 456 N CB -0.726 37.900 38.487 0.231 0.000 1.299 456 N HN 0.662 nan 8.380 nan 0.000 0.489 457 N N 0.262 119.130 118.700 0.280 0.000 2.334 457 N HA -0.144 4.596 4.740 -0.000 0.000 0.187 457 N C 1.254 176.812 175.510 0.079 0.000 1.016 457 N CA 0.565 53.779 53.050 0.273 0.000 0.879 457 N CB 0.213 38.939 38.487 0.397 0.000 0.965 457 N HN 0.303 nan 8.380 nan 0.000 0.438 458 M N 0.524 120.117 119.600 -0.012 0.000 2.549 458 M HA -0.067 4.412 4.480 -0.000 0.000 0.260 458 M C 1.630 177.912 176.300 -0.031 0.000 1.076 458 M CA 1.255 56.479 55.300 -0.126 0.000 1.090 458 M CB -0.280 32.236 32.600 -0.139 0.000 1.418 458 M HN 0.256 nan 8.290 nan 0.000 0.486 459 Q N -1.963 117.870 119.800 0.055 0.000 2.511 459 Q HA 0.168 4.508 4.340 -0.000 0.000 0.236 459 Q C 1.879 177.901 176.000 0.037 0.000 0.893 459 Q CA 0.624 56.491 55.803 0.106 0.000 0.947 459 Q CB 0.381 29.255 28.738 0.228 0.000 1.110 459 Q HN 0.436 nan 8.270 nan 0.000 0.591 460 A N 1.178 124.005 122.820 0.012 0.000 1.898 460 A HA 0.189 4.509 4.320 -0.000 0.000 0.216 460 A C 1.200 178.547 177.584 -0.395 0.000 1.181 460 A CA 0.918 52.719 52.037 -0.393 0.000 0.620 460 A CB -0.658 18.294 19.000 -0.080 0.000 0.819 460 A HN 0.383 nan 8.150 nan 0.000 0.442 461 A N 0.949 123.721 122.820 -0.080 0.000 2.483 461 A HA 0.476 4.796 4.320 -0.000 0.000 0.238 461 A C -2.148 175.426 177.584 -0.018 0.000 1.070 461 A CA -0.879 51.141 52.037 -0.027 0.000 0.770 461 A CB -0.295 18.759 19.000 0.090 0.000 1.008 461 A HN 0.369 nan 8.150 nan 0.000 0.497 462 P HA 0.096 nan 4.420 nan 0.000 0.278 462 P C -0.213 177.057 177.300 -0.050 0.000 1.238 462 P CA -0.207 62.868 63.100 -0.040 0.000 0.794 462 P CB 0.573 32.114 31.700 -0.265 0.000 0.955 463 N N 0.831 119.500 118.700 -0.050 0.000 2.721 463 N HA -0.178 4.562 4.740 -0.000 0.000 0.249 463 N C 1.196 176.684 175.510 -0.036 0.000 1.072 463 N CA 0.679 53.703 53.050 -0.043 0.000 0.710 463 N CB -1.336 37.125 38.487 -0.043 0.000 0.993 463 N HN 0.493 nan 8.380 nan 0.000 0.547 464 I N -2.714 117.833 120.570 -0.039 0.000 2.182 464 I HA -0.322 3.848 4.170 -0.000 0.000 0.248 464 I C 2.035 178.144 176.117 -0.013 0.000 1.073 464 I CA 1.991 63.270 61.300 -0.036 0.000 1.335 464 I CB -0.359 37.608 38.000 -0.055 0.000 1.031 464 I HN 0.033 nan 8.210 nan 0.000 0.420 465 D N 0.421 120.806 120.400 -0.025 0.000 2.144 465 D HA -0.210 4.430 4.640 -0.000 0.000 0.200 465 D C 2.236 178.535 176.300 -0.002 0.000 0.978 465 D CA 1.373 55.371 54.000 -0.004 0.000 0.833 465 D CB -0.028 40.757 40.800 -0.025 0.000 0.961 465 D HN 0.575 nan 8.370 nan 0.000 0.470 466 Q N -0.324 119.463 119.800 -0.022 0.000 1.994 466 Q HA -0.078 4.262 4.340 -0.000 0.000 0.198 466 Q C 1.292 177.215 176.000 -0.129 0.000 0.976 466 Q CA 1.426 57.214 55.803 -0.024 0.000 0.828 466 Q CB 0.187 28.930 28.738 0.007 0.000 0.894 466 Q HN 0.144 nan 8.270 nan 0.000 0.432 467 E N -2.052 118.075 120.200 -0.122 0.000 2.571 467 E HA 0.098 4.448 4.350 -0.000 0.000 0.222 467 E C 1.126 177.639 176.600 -0.144 0.000 0.904 467 E CA 0.352 56.632 56.400 -0.200 0.000 1.157 467 E CB 1.056 30.762 29.700 0.008 0.000 1.158 467 E HN 0.212 nan 8.360 nan 0.000 0.540 468 T N -0.192 114.320 114.554 -0.070 0.000 2.953 468 T HA -0.059 4.291 4.350 -0.000 0.000 0.247 468 T C 1.343 176.044 174.700 0.000 0.000 1.029 468 T CA 0.481 62.567 62.100 -0.024 0.000 1.144 468 T CB -0.245 68.586 68.868 -0.063 0.000 0.870 468 T HN 0.161 nan 8.240 nan 0.000 0.446 469 Y N 3.934 124.150 120.300 -0.140 0.000 2.114 469 Y HA -0.030 4.520 4.550 -0.000 0.000 0.284 469 Y C -0.808 175.072 175.900 -0.034 0.000 1.143 469 Y CA 0.842 58.882 58.100 -0.100 0.000 1.135 469 Y CB -1.231 37.175 38.460 -0.091 0.000 0.980 469 Y HN 0.130 nan 8.280 nan 0.000 0.499 470 P HA -0.104 nan 4.420 nan 0.000 0.218 470 P C 1.669 178.876 177.300 -0.155 0.000 1.149 470 P CA 2.189 65.121 63.100 -0.281 0.000 0.817 470 P CB -0.393 31.122 31.700 -0.309 0.000 0.785 471 G N -1.212 107.527 108.800 -0.101 0.000 2.432 471 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.219 471 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.219 471 G C 1.286 176.200 174.900 0.024 0.000 1.135 471 G CA 0.399 45.505 45.100 0.010 0.000 0.767 471 G HN 0.188 nan 8.290 nan 0.000 0.550 472 Y N 0.418 120.621 120.300 -0.162 0.000 2.420 472 Y HA 0.182 4.732 4.550 -0.000 0.000 0.292 472 Y C 2.505 178.319 175.900 -0.143 0.000 1.119 472 Y CA 0.515 58.546 58.100 -0.115 0.000 1.229 472 Y CB 0.389 38.824 38.460 -0.042 0.000 1.026 472 Y HN 0.003 nan 8.280 nan 0.000 0.554 473 R N -0.110 120.329 120.500 -0.102 0.000 2.334 473 R HA 0.058 4.398 4.340 -0.000 0.000 0.216 473 R C -0.136 176.100 176.300 -0.107 0.000 0.905 473 R CA -0.138 55.862 56.100 -0.167 0.000 1.064 473 R CB -1.006 29.055 30.300 -0.398 0.000 1.046 473 R HN 0.332 nan 8.270 nan 0.000 0.508 474 N N 3.419 122.078 118.700 -0.067 0.000 2.429 474 N HA -0.018 4.722 4.740 -0.000 0.000 0.271 474 N C -1.691 173.807 175.510 -0.020 0.000 1.272 474 N CA -1.220 51.814 53.050 -0.027 0.000 0.921 474 N CB 1.080 39.568 38.487 0.003 0.000 1.128 474 N HN -0.118 nan 8.380 nan 0.000 0.481 475 P HA -0.128 nan 4.420 nan 0.000 0.224 475 P C 0.345 177.647 177.300 0.003 0.000 1.142 475 P CA 1.026 64.108 63.100 -0.030 0.000 0.778 475 P CB 0.281 31.946 31.700 -0.057 0.000 0.764 476 E N -0.475 119.734 120.200 0.015 0.000 2.489 476 E HA 0.098 4.448 4.350 -0.000 0.000 0.193 476 E C 0.004 176.645 176.600 0.067 0.000 1.057 476 E CA 0.078 56.498 56.400 0.034 0.000 0.866 476 E CB -0.571 29.142 29.700 0.022 0.000 0.916 476 E HN 0.484 nan 8.360 nan 0.000 0.500 477 N N -0.322 118.420 118.700 0.069 0.000 2.319 477 N HA 0.344 5.084 4.740 -0.000 0.000 0.305 477 N C -1.239 174.379 175.510 0.180 0.000 1.103 477 N CA -0.624 52.481 53.050 0.091 0.000 0.815 477 N CB 1.456 39.939 38.487 -0.007 0.000 1.288 477 N HN -0.139 nan 8.380 nan 0.000 0.493 478 F N 2.209 122.157 119.950 -0.003 0.000 2.493 478 F HA 0.609 5.135 4.527 -0.000 0.000 0.329 478 F C -1.347 174.355 175.800 -0.164 0.000 1.126 478 F CA -0.742 57.238 58.000 -0.034 0.000 0.937 478 F CB 0.745 39.742 39.000 -0.004 0.000 1.146 478 F HN 0.309 nan 8.300 nan 0.000 0.442 479 I N 6.529 126.708 120.570 -0.651 0.000 2.447 479 I HA 0.440 4.610 4.170 -0.000 0.000 0.287 479 I C -1.117 174.641 176.117 -0.599 0.000 1.023 479 I CA -0.742 60.253 61.300 -0.509 0.000 1.083 479 I CB 1.946 39.778 38.000 -0.280 0.000 1.245 479 I HN 0.278 nan 8.210 nan 0.000 0.434 480 V N 6.791 126.414 119.914 -0.485 0.000 2.483 480 V HA 0.557 4.677 4.120 -0.000 0.000 0.295 480 V C -0.337 175.786 176.094 0.048 0.000 1.035 480 V CA -0.772 61.320 62.300 -0.347 0.000 0.896 480 V CB 1.997 33.423 31.823 -0.661 0.000 0.986 480 V HN 0.380 nan 8.190 nan 0.000 0.447 481 V N 3.078 123.069 119.914 0.130 0.000 2.447 481 V HA 0.358 4.478 4.120 -0.000 0.000 0.292 481 V C -0.053 176.204 176.094 0.272 0.000 1.021 481 V CA -0.275 62.172 62.300 0.245 0.000 0.850 481 V CB 1.995 33.936 31.823 0.198 0.000 1.005 481 V HN 0.917 nan 8.190 nan 0.000 0.426 482 S N 4.285 120.214 115.700 0.380 0.000 2.513 482 S HA 0.637 5.107 4.470 -0.000 0.000 0.276 482 S C -0.466 174.265 174.600 0.218 0.000 1.254 482 S CA -0.320 58.094 58.200 0.357 0.000 1.053 482 S CB 1.064 64.528 63.200 0.440 0.000 0.958 482 S HN 0.870 nan 8.310 nan 0.000 0.491 483 D N -0.013 120.491 120.400 0.173 0.000 2.713 483 D HA 0.487 5.127 4.640 -0.000 0.000 0.306 483 D C -0.530 175.804 176.300 0.058 0.000 1.299 483 D CA -0.473 53.599 54.000 0.120 0.000 0.823 483 D CB 1.457 42.327 40.800 0.117 0.000 1.353 483 D HN 0.464 nan 8.370 nan 0.000 0.447 484 A N -0.065 122.742 122.820 -0.022 0.000 2.358 484 A HA 0.373 4.693 4.320 -0.000 0.000 0.223 484 A C -0.519 176.803 177.584 -0.437 0.000 1.218 484 A CA 0.252 52.151 52.037 -0.231 0.000 0.942 484 A CB 0.331 19.134 19.000 -0.329 0.000 1.005 484 A HN 0.389 nan 8.150 nan 0.000 0.514 485 Y N -2.279 118.046 120.300 0.043 0.000 2.597 485 Y HA 0.384 4.934 4.550 -0.000 0.000 0.340 485 Y C -1.930 173.976 175.900 0.010 0.000 1.097 485 Y CA -2.136 55.977 58.100 0.021 0.000 1.037 485 Y CB 1.391 39.867 38.460 0.027 0.000 1.305 485 Y HN -0.085 nan 8.280 nan 0.000 0.463 486 P HA -0.234 nan 4.420 nan 0.000 0.216 486 P C -0.452 176.892 177.300 0.072 0.000 0.860 486 P CA 2.726 65.868 63.100 0.069 0.000 1.042 486 P CB -0.169 31.561 31.700 0.049 0.000 0.716 487 T N -3.668 110.934 114.554 0.080 0.000 0.542 487 T HA -0.134 4.216 4.350 -0.000 0.000 0.774 487 T C 0.592 175.334 174.700 0.070 0.000 0.992 487 T CA 0.238 62.390 62.100 0.087 0.000 4.076 487 T CB -0.743 68.199 68.868 0.122 0.000 2.303 487 T HN 0.073 nan 8.240 nan 0.000 0.398 488 V N 3.549 123.502 119.914 0.066 0.000 2.427 488 V HA -0.160 3.960 4.120 -0.000 0.000 0.248 488 V C 2.400 178.544 176.094 0.083 0.000 1.051 488 V CA 2.870 65.205 62.300 0.059 0.000 1.048 488 V CB -0.656 31.186 31.823 0.033 0.000 0.666 488 V HN 1.145 nan 8.190 nan 0.000 0.456 489 T N 0.393 115.001 114.554 0.091 0.000 2.665 489 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 489 T C 1.716 176.519 174.700 0.172 0.000 1.035 489 T CA 1.719 63.886 62.100 0.112 0.000 1.151 489 T CB -0.900 68.059 68.868 0.151 0.000 0.862 489 T HN 0.679 nan 8.240 nan 0.000 0.438 490 G N 0.821 109.703 108.800 0.137 0.000 2.408 490 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 490 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 490 G C 1.575 176.551 174.900 0.127 0.000 1.150 490 G CA 0.454 45.618 45.100 0.107 0.000 0.776 490 G HN 0.390 nan 8.290 nan 0.000 0.542 491 R N 0.512 121.085 120.500 0.121 0.000 2.120 491 R HA 0.027 4.367 4.340 -0.000 0.000 0.234 491 R C 2.359 178.840 176.300 0.302 0.000 1.123 491 R CA 1.158 57.375 56.100 0.195 0.000 0.975 491 R CB -0.204 30.176 30.300 0.133 0.000 0.866 491 R HN 0.306 nan 8.270 nan 0.000 0.446 492 A N -0.329 122.644 122.820 0.255 0.000 2.337 492 A HA 0.395 4.715 4.320 -0.000 0.000 0.227 492 A C 0.460 178.232 177.584 0.313 0.000 1.259 492 A CA 0.359 52.568 52.037 0.286 0.000 0.870 492 A CB -0.010 19.151 19.000 0.267 0.000 0.927 492 A HN 0.401 nan 8.150 nan 0.000 0.497 493 A N -0.753 122.263 122.820 0.328 0.000 2.452 493 A HA 0.631 4.951 4.320 -0.000 0.000 0.285 493 A C 0.292 177.996 177.584 0.198 0.000 1.209 493 A CA -0.066 52.120 52.037 0.250 0.000 0.940 493 A CB 0.636 19.761 19.000 0.208 0.000 1.440 493 A HN 0.154 nan 8.150 nan 0.000 0.480 494 D N -1.736 118.656 120.400 -0.013 0.000 2.482 494 D HA 0.187 4.827 4.640 -0.000 0.000 0.251 494 D C -0.648 175.617 176.300 -0.059 0.000 1.073 494 D CA 0.476 54.423 54.000 -0.089 0.000 0.892 494 D CB 0.663 41.299 40.800 -0.274 0.000 1.202 494 D HN 0.189 nan 8.370 nan 0.000 0.496 495 L N 1.514 122.622 121.223 -0.191 0.000 2.406 495 L HA 0.426 4.766 4.340 -0.000 0.000 0.272 495 L C -1.520 175.336 176.870 -0.025 0.000 0.980 495 L CA -0.815 53.970 54.840 -0.091 0.000 0.831 495 L CB 2.235 44.138 42.059 -0.261 0.000 1.253 495 L HN -0.339 nan 8.230 nan 0.000 0.406 496 V N 6.540 126.469 119.914 0.025 0.000 2.378 496 V HA 0.478 4.598 4.120 -0.000 0.000 0.288 496 V C -0.205 175.863 176.094 -0.043 0.000 1.016 496 V CA -0.437 61.852 62.300 -0.018 0.000 0.840 496 V CB 1.595 33.340 31.823 -0.130 0.000 0.994 496 V HN 0.617 nan 8.190 nan 0.000 0.431 497 L N 8.235 129.495 121.223 0.061 0.000 2.295 497 L HA 0.527 4.866 4.340 -0.000 0.000 0.285 497 L C -2.213 174.756 176.870 0.166 0.000 1.035 497 L CA -1.849 53.036 54.840 0.075 0.000 0.806 497 L CB 1.994 44.269 42.059 0.360 0.000 1.214 497 L HN 0.391 nan 8.230 nan 0.000 0.426 498 P HA 0.173 nan 4.420 nan 0.000 0.276 498 P C -1.054 176.428 177.300 0.303 0.000 1.235 498 P CA -0.171 63.011 63.100 0.136 0.000 0.772 498 P CB 1.509 33.230 31.700 0.035 0.000 0.871 499 A N 3.439 126.375 122.820 0.193 0.000 2.337 499 A HA 0.688 5.008 4.320 -0.000 0.000 0.329 499 A C -0.052 177.595 177.584 0.105 0.000 1.146 499 A CA -0.845 51.318 52.037 0.209 0.000 0.800 499 A CB 1.175 20.304 19.000 0.215 0.000 1.220 499 A HN 0.570 nan 8.150 nan 0.000 0.472 500 A N 2.566 125.453 122.820 0.112 0.000 2.409 500 A HA 0.568 4.888 4.320 -0.000 0.000 0.262 500 A C 0.203 177.838 177.584 0.085 0.000 1.113 500 A CA -0.086 51.965 52.037 0.023 0.000 0.790 500 A CB 0.090 19.054 19.000 -0.059 0.000 1.046 500 A HN 1.006 nan 8.150 nan 0.000 0.496 501 M N 2.568 122.196 119.600 0.045 0.000 2.573 501 M HA 0.330 4.810 4.480 -0.000 0.000 0.309 501 M C 0.704 177.123 176.300 0.198 0.000 1.202 501 M CA -0.435 54.925 55.300 0.101 0.000 0.975 501 M CB 0.733 33.334 32.600 0.003 0.000 1.600 501 M HN 1.027 nan 8.290 nan 0.000 0.479 502 W N 1.926 123.229 121.300 0.006 0.000 2.464 502 W HA -0.381 4.279 4.660 -0.000 0.000 0.330 502 W C 0.850 177.442 176.519 0.121 0.000 1.543 502 W CA 2.833 60.152 57.345 -0.043 0.000 1.475 502 W CB -1.658 27.654 29.460 -0.247 0.000 0.908 502 W HN 0.428 nan 8.180 nan 0.000 0.500 503 V N 1.506 121.202 119.914 -0.363 0.000 3.646 503 V HA -0.041 4.079 4.120 -0.000 0.000 0.277 503 V C 1.525 177.555 176.094 -0.107 0.000 1.274 503 V CA 1.704 63.728 62.300 -0.460 0.000 1.164 503 V CB -0.432 30.750 31.823 -1.068 0.000 0.926 503 V HN 0.356 nan 8.190 nan 0.000 0.442 504 E N 1.004 121.187 120.200 -0.028 0.000 2.489 504 E HA 0.054 4.404 4.350 -0.000 0.000 0.193 504 E C 0.722 177.299 176.600 -0.039 0.000 1.057 504 E CA 0.092 56.457 56.400 -0.058 0.000 0.866 504 E CB 0.296 29.944 29.700 -0.086 0.000 0.916 504 E HN 0.532 nan 8.360 nan 0.000 0.500 505 K N 1.198 121.662 120.400 0.106 0.000 2.523 505 K HA 0.242 4.562 4.320 -0.000 0.000 0.257 505 K C -1.283 175.400 176.600 0.138 0.000 0.932 505 K CA -0.677 55.716 56.287 0.177 0.000 0.812 505 K CB 2.004 34.652 32.500 0.247 0.000 1.326 505 K HN -0.123 nan 8.250 nan 0.000 0.433 506 E N 1.841 122.083 120.200 0.069 0.000 2.360 506 E HA 0.404 4.754 4.350 -0.000 0.000 0.269 506 E C -0.557 175.874 176.600 -0.281 0.000 1.022 506 E CA -0.227 56.105 56.400 -0.113 0.000 0.887 506 E CB 0.758 30.500 29.700 0.069 0.000 0.990 506 E HN 0.768 nan 8.360 nan 0.000 0.426 507 G N 1.811 109.879 108.800 -1.220 0.000 2.788 507 G HA2 0.724 4.684 3.960 -0.000 0.000 0.293 507 G HA3 0.724 4.684 3.960 -0.000 0.000 0.293 507 G C -1.673 171.962 174.900 -2.107 0.000 1.392 507 G CA -0.303 43.835 45.100 -1.603 0.000 0.810 507 G HN 0.715 nan 8.290 nan 0.000 0.508 508 A N -1.035 120.569 122.820 -2.027 0.000 2.549 508 A HA 0.824 5.144 4.320 -0.000 0.000 0.297 508 A C -2.076 175.194 177.584 -0.524 0.000 1.061 508 A CA -0.539 50.748 52.037 -1.250 0.000 0.690 508 A CB 1.595 19.521 19.000 -1.789 0.000 1.287 508 A HN 0.760 nan 8.150 nan 0.000 0.402 509 Y N -0.455 119.885 120.300 0.067 0.000 2.638 509 Y HA 0.733 5.283 4.550 -0.000 0.000 0.339 509 Y C 0.592 176.529 175.900 0.061 0.000 1.084 509 Y CA -1.137 57.065 58.100 0.169 0.000 1.068 509 Y CB 2.600 41.302 38.460 0.403 0.000 1.294 509 Y HN 1.023 nan 8.280 nan 0.000 0.480 510 G N 2.233 111.162 108.800 0.215 0.000 2.730 510 G HA2 0.363 4.323 3.960 -0.000 0.000 0.291 510 G HA3 0.363 4.323 3.960 -0.000 0.000 0.291 510 G C -0.937 174.008 174.900 0.075 0.000 1.456 510 G CA -0.840 44.305 45.100 0.075 0.000 0.996 510 G HN 0.584 nan 8.290 nan 0.000 0.528 511 N N 1.321 120.021 118.700 -0.001 0.000 2.381 511 N HA 0.352 5.092 4.740 -0.000 0.000 0.254 511 N C 1.550 177.130 175.510 0.116 0.000 1.264 511 N CA 0.037 53.157 53.050 0.116 0.000 0.942 511 N CB 1.134 39.737 38.487 0.194 0.000 1.190 511 N HN 0.349 nan 8.380 nan 0.000 0.495 512 A N -0.214 122.750 122.820 0.241 0.000 2.139 512 A HA -0.224 4.095 4.320 -0.000 0.000 0.221 512 A C 1.268 178.945 177.584 0.154 0.000 1.159 512 A CA 1.817 53.999 52.037 0.242 0.000 0.662 512 A CB -0.979 18.289 19.000 0.446 0.000 0.796 512 A HN 0.889 nan 8.150 nan 0.000 0.463 513 E N -1.240 118.950 120.200 -0.018 0.000 2.423 513 E HA 0.379 4.729 4.350 -0.000 0.000 0.198 513 E C 0.220 176.647 176.600 -0.288 0.000 1.038 513 E CA -0.638 55.651 56.400 -0.186 0.000 1.011 513 E CB -0.221 28.999 29.700 -0.800 0.000 1.118 513 E HN 0.399 nan 8.360 nan 0.000 0.451 514 R N 0.271 120.587 120.500 -0.306 0.000 3.651 514 R HA -0.190 4.149 4.340 -0.000 0.000 0.292 514 R C -0.314 175.829 176.300 -0.263 0.000 1.161 514 R CA 0.804 56.590 56.100 -0.522 0.000 0.787 514 R CB -1.829 27.777 30.300 -1.156 0.000 1.249 514 R HN 0.366 nan 8.270 nan 0.000 0.476 515 R N 0.938 121.326 120.500 -0.186 0.000 2.255 515 R HA 0.238 4.578 4.340 -0.000 0.000 0.326 515 R C -0.853 175.271 176.300 -0.294 0.000 0.986 515 R CA -0.154 55.813 56.100 -0.222 0.000 0.847 515 R CB 1.155 31.264 30.300 -0.318 0.000 1.111 515 R HN -0.047 nan 8.270 nan 0.000 0.452 516 T N 5.819 120.278 114.554 -0.158 0.000 2.770 516 T HA 0.287 4.637 4.350 -0.000 0.000 0.297 516 T C -1.199 173.345 174.700 -0.260 0.000 0.997 516 T CA -0.623 61.347 62.100 -0.217 0.000 0.949 516 T CB 0.323 69.075 68.868 -0.192 0.000 0.941 516 T HN 0.664 nan 8.240 nan 0.000 0.457 517 H N 1.230 120.329 119.070 0.048 0.000 2.690 517 H HA 0.756 5.312 4.556 -0.000 0.000 0.368 517 H C -1.081 174.412 175.328 0.276 0.000 1.150 517 H CA -1.610 54.500 56.048 0.104 0.000 1.174 517 H CB 0.360 30.204 29.762 0.136 0.000 1.684 517 H HN 0.234 nan 8.280 nan 0.000 0.538 518 F N 0.460 120.388 119.950 -0.037 0.000 2.452 518 F HA 0.613 5.140 4.527 -0.000 0.000 0.353 518 F C -0.426 175.460 175.800 0.143 0.000 1.089 518 F CA -1.407 56.462 58.000 -0.219 0.000 1.080 518 F CB 0.965 39.553 39.000 -0.687 0.000 1.399 518 F HN 0.871 nan 8.300 nan 0.000 0.492 519 W N -0.342 120.988 121.300 0.049 0.000 3.901 519 W HA 0.407 5.067 4.660 -0.000 0.000 0.274 519 W C -1.745 174.776 176.519 0.004 0.000 1.278 519 W CA -0.792 56.539 57.345 -0.023 0.000 1.235 519 W CB 0.022 29.404 29.460 -0.131 0.000 1.261 519 W HN 0.352 nan 8.180 nan 0.000 0.546 520 H N 1.659 120.810 119.070 0.135 0.000 2.509 520 H HA 0.226 4.782 4.556 -0.000 0.000 0.360 520 H C -0.469 174.882 175.328 0.038 0.000 1.398 520 H CA -0.198 55.795 56.048 -0.092 0.000 1.429 520 H CB 1.294 30.690 29.762 -0.610 0.000 1.611 520 H HN 0.646 nan 8.280 nan 0.000 0.606 521 Q N 1.163 121.076 119.800 0.188 0.000 2.294 521 Q HA 0.093 4.433 4.340 -0.000 0.000 0.257 521 Q C -0.238 175.835 176.000 0.122 0.000 0.955 521 Q CA -0.572 55.310 55.803 0.132 0.000 0.936 521 Q CB 0.547 29.343 28.738 0.096 0.000 1.188 521 Q HN 0.335 nan 8.270 nan 0.000 0.420 522 L N 4.431 125.684 121.223 0.049 0.000 2.556 522 L HA 0.196 4.536 4.340 -0.000 0.000 0.226 522 L C 0.254 177.110 176.870 -0.024 0.000 1.089 522 L CA 0.470 55.325 54.840 0.025 0.000 0.864 522 L CB 0.395 42.424 42.059 -0.051 0.000 1.067 522 L HN 0.559 nan 8.230 nan 0.000 0.477 523 V N -4.858 115.032 119.914 -0.039 0.000 3.232 523 V HA 0.541 4.661 4.120 -0.000 0.000 0.303 523 V C -0.739 175.319 176.094 -0.061 0.000 1.311 523 V CA -1.173 61.103 62.300 -0.039 0.000 1.061 523 V CB 2.184 34.000 31.823 -0.012 0.000 1.085 523 V HN 0.063 nan 8.190 nan 0.000 0.447 524 E N 1.275 121.440 120.200 -0.059 0.000 2.266 524 E HA 0.677 5.027 4.350 -0.000 0.000 0.277 524 E C 0.044 176.587 176.600 -0.096 0.000 1.018 524 E CA -0.434 55.906 56.400 -0.101 0.000 0.840 524 E CB 2.029 31.677 29.700 -0.087 0.000 1.082 524 E HN 1.112 nan 8.360 nan 0.000 0.395 525 A N 4.158 126.882 122.820 -0.160 0.000 2.425 525 A HA 0.280 4.600 4.320 -0.000 0.000 0.242 525 A C -1.917 175.623 177.584 -0.074 0.000 1.077 525 A CA -1.014 50.948 52.037 -0.125 0.000 0.781 525 A CB -0.320 18.577 19.000 -0.171 0.000 1.020 525 A HN 0.431 nan 8.150 nan 0.000 0.494 526 P HA 0.382 nan 4.420 nan 0.000 0.278 526 P C 0.890 178.180 177.300 -0.016 0.000 1.238 526 P CA 1.062 64.156 63.100 -0.010 0.000 0.794 526 P CB 0.875 32.584 31.700 0.015 0.000 0.955 527 G N 3.582 112.377 108.800 -0.008 0.000 2.651 527 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.315 527 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.315 527 G C 0.508 175.413 174.900 0.008 0.000 1.258 527 G CA 0.173 45.272 45.100 -0.002 0.000 1.002 527 G HN 0.568 nan 8.290 nan 0.000 0.551 528 E N 1.735 121.959 120.200 0.039 0.000 2.451 528 E HA 0.495 4.845 4.350 -0.000 0.000 0.194 528 E C 1.198 177.950 176.600 0.254 0.000 1.027 528 E CA 0.557 57.039 56.400 0.136 0.000 0.914 528 E CB 0.269 30.054 29.700 0.143 0.000 1.054 528 E HN 0.848 nan 8.360 nan 0.000 0.461 529 A N 1.743 124.636 122.820 0.121 0.000 2.407 529 A HA 0.404 4.724 4.320 -0.000 0.000 0.248 529 A C 0.340 177.945 177.584 0.036 0.000 1.082 529 A CA -0.059 52.077 52.037 0.165 0.000 0.785 529 A CB 0.516 19.554 19.000 0.064 0.000 1.020 529 A HN -0.005 nan 8.150 nan 0.000 0.489 530 R N 1.309 121.862 120.500 0.087 0.000 2.771 530 R HA 0.444 4.784 4.340 -0.000 0.000 0.274 530 R C -0.159 176.301 176.300 0.267 0.000 0.987 530 R CA -0.359 55.720 56.100 -0.035 0.000 0.908 530 R CB 1.463 31.268 30.300 -0.825 0.000 1.213 530 R HN 0.925 nan 8.270 nan 0.000 0.468 531 S N 0.158 116.154 115.700 0.493 0.000 2.560 531 S HA -0.042 4.428 4.470 -0.000 0.000 0.276 531 S C 0.656 175.481 174.600 0.374 0.000 1.350 531 S CA -0.168 58.260 58.200 0.380 0.000 1.024 531 S CB 0.600 64.020 63.200 0.365 0.000 0.864 531 S HN 0.520 nan 8.310 nan 0.000 0.536 532 D N 0.372 120.966 120.400 0.323 0.000 2.178 532 D HA -0.094 4.545 4.640 -0.000 0.000 0.202 532 D C 1.786 178.202 176.300 0.193 0.000 0.974 532 D CA 0.924 55.108 54.000 0.306 0.000 0.841 532 D CB -0.156 40.864 40.800 0.366 0.000 0.953 532 D HN 0.477 nan 8.370 nan 0.000 0.478 533 L N 0.314 121.626 121.223 0.148 0.000 1.970 533 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 533 L C 2.227 179.147 176.870 0.083 0.000 1.071 533 L CA 1.790 56.652 54.840 0.037 0.000 0.751 533 L CB -0.800 41.295 42.059 0.060 0.000 0.889 533 L HN 0.156 nan 8.230 nan 0.000 0.432 534 W N 0.480 121.765 121.300 -0.024 0.000 2.315 534 W HA -0.300 4.360 4.660 -0.000 0.000 0.323 534 W C 2.621 179.223 176.519 0.138 0.000 1.233 534 W CA 2.409 59.755 57.345 0.000 0.000 1.267 534 W CB -0.491 28.851 29.460 -0.197 0.000 1.160 534 W HN 0.283 nan 8.180 nan 0.000 0.474 535 Q N -0.434 119.635 119.800 0.450 0.000 2.082 535 Q HA -0.305 4.035 4.340 -0.000 0.000 0.211 535 Q C 2.117 178.361 176.000 0.407 0.000 1.002 535 Q CA 2.164 58.255 55.803 0.480 0.000 0.868 535 Q CB -0.870 28.312 28.738 0.739 0.000 0.931 535 Q HN 0.285 nan 8.270 nan 0.000 0.414 536 L N 0.204 121.557 121.223 0.218 0.000 1.955 536 L HA -0.216 4.124 4.340 -0.000 0.000 0.213 536 L C 2.365 179.283 176.870 0.079 0.000 1.072 536 L CA 1.842 56.776 54.840 0.157 0.000 0.755 536 L CB -0.963 41.038 42.059 -0.096 0.000 0.888 536 L HN 0.346 nan 8.230 nan 0.000 0.432 537 M N -1.344 118.134 119.600 -0.203 0.000 2.106 537 M HA -0.266 4.214 4.480 -0.000 0.000 0.259 537 M C 2.173 178.465 176.300 -0.014 0.000 1.068 537 M CA 1.997 57.088 55.300 -0.348 0.000 1.100 537 M CB -0.768 31.465 32.600 -0.612 0.000 1.351 537 M HN 0.227 nan 8.290 nan 0.000 0.404 538 E N 0.746 120.799 120.200 -0.244 0.000 2.072 538 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 538 E C 1.670 178.007 176.600 -0.439 0.000 0.985 538 E CA 1.183 57.326 56.400 -0.428 0.000 0.801 538 E CB -0.385 28.723 29.700 -0.986 0.000 0.750 538 E HN 0.403 nan 8.360 nan 0.000 0.452 539 F N 0.434 120.004 119.950 -0.633 0.000 2.408 539 F HA -0.071 4.456 4.527 -0.000 0.000 0.300 539 F C 2.017 177.797 175.800 -0.034 0.000 1.090 539 F CA 1.057 58.684 58.000 -0.621 0.000 1.427 539 F CB -0.371 38.545 39.000 -0.139 0.000 1.070 539 F HN -0.031 nan 8.300 nan 0.000 0.549 540 S N 0.405 116.105 115.700 0.000 0.000 2.345 540 S HA -0.185 4.284 4.470 -0.000 0.000 0.220 540 S C 1.758 176.371 174.600 0.022 0.000 1.031 540 S CA 1.229 59.468 58.200 0.065 0.000 0.996 540 S CB -0.248 63.196 63.200 0.407 0.000 0.882 540 S HN 0.365 nan 8.310 nan 0.000 0.445 541 K N 0.489 120.822 120.400 -0.111 0.000 2.587 541 K HA -0.132 4.188 4.320 -0.000 0.000 0.196 541 K C 1.813 178.282 176.600 -0.219 0.000 1.046 541 K CA 0.827 56.950 56.287 -0.274 0.000 0.930 541 K CB -0.081 32.123 32.500 -0.493 0.000 0.771 541 K HN 0.048 nan 8.250 nan 0.000 0.492 542 R N -0.600 119.760 120.500 -0.233 0.000 2.189 542 R HA 0.136 4.476 4.340 -0.000 0.000 0.203 542 R C -0.049 175.909 176.300 -0.569 0.000 1.012 542 R CA 0.507 56.346 56.100 -0.434 0.000 1.015 542 R CB 0.352 30.230 30.300 -0.704 0.000 0.938 542 R HN -0.038 nan 8.270 nan 0.000 0.472 543 F N -1.331 118.487 119.950 -0.220 0.000 2.432 543 F HA 0.458 4.985 4.527 -0.000 0.000 0.329 543 F C 0.658 176.346 175.800 -0.186 0.000 1.076 543 F CA -0.744 57.158 58.000 -0.164 0.000 1.018 543 F CB 1.538 40.490 39.000 -0.080 0.000 1.201 543 F HN -0.329 nan 8.300 nan 0.000 0.489 544 T N -0.504 114.039 114.554 -0.019 0.000 2.908 544 T HA 0.277 4.627 4.350 -0.000 0.000 0.290 544 T C 0.923 175.492 174.700 -0.219 0.000 1.034 544 T CA -0.403 61.624 62.100 -0.123 0.000 1.010 544 T CB 1.220 70.028 68.868 -0.101 0.000 1.068 544 T HN 0.758 nan 8.240 nan 0.000 0.481 545 T N 1.875 116.216 114.554 -0.354 0.000 2.869 545 T HA -0.115 4.235 4.350 -0.000 0.000 0.270 545 T C 0.959 175.528 174.700 -0.218 0.000 1.082 545 T CA 1.186 62.943 62.100 -0.571 0.000 1.123 545 T CB -0.277 68.277 68.868 -0.523 0.000 0.856 545 T HN 0.608 nan 8.240 nan 0.000 0.499 546 D N 1.403 121.745 120.400 -0.097 0.000 1.825 546 D HA 0.023 4.663 4.640 -0.000 0.000 0.312 546 D C 1.685 177.991 176.300 0.010 0.000 1.066 546 D CA 0.286 54.282 54.000 -0.006 0.000 0.826 546 D CB -0.707 40.086 40.800 -0.011 0.000 1.144 546 D HN 0.314 nan 8.370 nan 0.000 0.392 547 E N -1.064 119.145 120.200 0.014 0.000 3.489 547 E HA -0.325 4.025 4.350 -0.000 0.000 0.199 547 E C 1.746 178.405 176.600 0.098 0.000 1.086 547 E CA 3.097 59.523 56.400 0.043 0.000 1.941 547 E CB -0.443 29.279 29.700 0.036 0.000 1.804 547 E HN 0.234 nan 8.360 nan 0.000 0.323 548 V N -2.153 117.832 119.914 0.119 0.000 2.922 548 V HA 0.055 4.175 4.120 -0.000 0.000 0.242 548 V C 0.765 177.071 176.094 0.353 0.000 1.094 548 V CA 0.469 62.894 62.300 0.209 0.000 1.106 548 V CB -0.223 31.741 31.823 0.236 0.000 0.799 548 V HN 0.188 nan 8.190 nan 0.000 0.474 549 W N 1.981 123.309 121.300 0.047 0.000 2.237 549 W HA 0.474 5.134 4.660 -0.000 0.000 0.335 549 W C -2.230 174.309 176.519 0.033 0.000 1.230 549 W CA -2.975 54.386 57.345 0.026 0.000 1.253 549 W CB -0.721 28.734 29.460 -0.009 0.000 1.129 549 W HN 0.015 nan 8.180 nan 0.000 0.590 550 P HA 0.010 nan 4.420 nan 0.000 0.271 550 P C 0.515 177.897 177.300 0.137 0.000 1.216 550 P CA 0.270 63.448 63.100 0.131 0.000 0.776 550 P CB 0.910 32.651 31.700 0.068 0.000 0.881 551 E N 2.476 122.741 120.200 0.108 0.000 2.085 551 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 551 E C 1.287 177.940 176.600 0.088 0.000 0.994 551 E CA 1.215 57.674 56.400 0.098 0.000 0.801 551 E CB -0.290 29.453 29.700 0.071 0.000 0.743 551 E HN 0.559 nan 8.360 nan 0.000 0.453 552 E N 1.124 121.364 120.200 0.067 0.000 2.033 552 E HA -0.217 4.133 4.350 -0.000 0.000 0.199 552 E C 2.323 178.960 176.600 0.063 0.000 1.011 552 E CA 1.405 57.837 56.400 0.053 0.000 0.815 552 E CB -0.386 29.335 29.700 0.036 0.000 0.755 552 E HN 0.294 nan 8.360 nan 0.000 0.451 553 I N 1.352 121.955 120.570 0.055 0.000 2.194 553 I HA -0.324 3.846 4.170 -0.000 0.000 0.246 553 I C 2.523 178.723 176.117 0.139 0.000 1.093 553 I CA 1.074 62.402 61.300 0.047 0.000 1.355 553 I CB -0.279 37.696 38.000 -0.042 0.000 1.046 553 I HN 0.131 nan 8.210 nan 0.000 0.413 554 L N 0.126 121.460 121.223 0.185 0.000 1.970 554 L HA -0.266 4.074 4.340 -0.000 0.000 0.212 554 L C 2.903 179.870 176.870 0.162 0.000 1.071 554 L CA 2.123 57.100 54.840 0.228 0.000 0.751 554 L CB -1.066 41.109 42.059 0.194 0.000 0.889 554 L HN 0.445 nan 8.230 nan 0.000 0.432 555 S N 0.560 116.326 115.700 0.111 0.000 2.390 555 S HA -0.344 4.126 4.470 -0.000 0.000 0.234 555 S C 2.135 176.783 174.600 0.081 0.000 1.063 555 S CA 1.733 59.980 58.200 0.079 0.000 1.108 555 S CB -0.671 62.565 63.200 0.060 0.000 0.975 555 S HN 0.418 nan 8.310 nan 0.000 0.442 556 A N 1.933 124.806 122.820 0.088 0.000 1.940 556 A HA 0.439 4.759 4.320 -0.000 0.000 0.219 556 A C 1.512 179.162 177.584 0.110 0.000 1.176 556 A CA 1.470 53.558 52.037 0.084 0.000 0.631 556 A CB -0.922 18.124 19.000 0.077 0.000 0.814 556 A HN 1.521 nan 8.150 nan 0.000 0.446 557 A N -1.117 121.810 122.820 0.177 0.000 2.605 557 A HA 0.598 4.918 4.320 -0.000 0.000 0.293 557 A C -1.554 176.120 177.584 0.150 0.000 1.216 557 A CA -1.244 50.903 52.037 0.183 0.000 0.742 557 A CB 0.784 19.992 19.000 0.345 0.000 1.170 557 A HN 0.090 nan 8.150 nan 0.000 0.443 558 P HA -0.228 nan 4.420 nan 0.000 0.214 558 P C 0.952 178.230 177.300 -0.037 0.000 1.169 558 P CA 2.041 65.151 63.100 0.018 0.000 0.908 558 P CB 0.065 31.758 31.700 -0.011 0.000 0.791 559 A N -0.595 122.128 122.820 -0.163 0.000 2.752 559 A HA 0.120 4.440 4.320 -0.000 0.000 0.292 559 A C -0.567 176.687 177.584 -0.551 0.000 1.597 559 A CA 0.321 52.176 52.037 -0.303 0.000 1.241 559 A CB -2.081 16.699 19.000 -0.367 0.000 1.061 559 A HN 0.378 nan 8.150 nan 0.000 0.576 560 Y N -0.111 120.193 120.300 0.006 0.000 3.513 560 Y HA 0.020 4.569 4.550 -0.000 0.000 0.188 560 Y C 0.112 175.991 175.900 -0.035 0.000 0.543 560 Y CA -0.596 57.497 58.100 -0.011 0.000 1.090 560 Y CB -0.422 38.172 38.460 0.223 0.000 1.081 560 Y HN 0.658 nan 8.280 nan 0.000 0.541 561 R N 0.653 121.180 120.500 0.044 0.000 2.569 561 R HA 0.549 4.889 4.340 -0.000 0.000 0.293 561 R C 0.457 176.739 176.300 -0.030 0.000 1.186 561 R CA 0.134 56.242 56.100 0.014 0.000 0.956 561 R CB 1.761 32.079 30.300 0.030 0.000 1.196 561 R HN 0.507 nan 8.270 nan 0.000 0.444 562 G N 2.430 111.197 108.800 -0.056 0.000 3.076 562 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.256 562 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.256 562 G C 0.339 175.183 174.900 -0.093 0.000 1.589 562 G CA 0.149 45.210 45.100 -0.065 0.000 1.044 562 G HN 0.509 nan 8.290 nan 0.000 0.563 563 K N -0.147 120.206 120.400 -0.078 0.000 11.179 563 K HA -0.347 3.973 4.320 -0.000 0.000 0.530 563 K C 1.120 177.667 176.600 -0.088 0.000 0.396 563 K CA 4.387 60.624 56.287 -0.084 0.000 1.922 563 K CB -2.306 30.134 32.500 -0.101 0.000 0.793 563 K HN 2.986 nan 8.250 nan 0.000 1.249 564 T N -2.149 112.322 114.554 -0.137 0.000 0.554 564 T HA -0.121 4.229 4.350 -0.000 0.000 0.772 564 T C -0.138 174.490 174.700 -0.120 0.000 0.992 564 T CA 0.426 62.458 62.100 -0.114 0.000 4.069 564 T CB -1.480 67.348 68.868 -0.068 0.000 2.299 564 T HN 0.322 nan 8.240 nan 0.000 0.397 565 L N 4.752 125.883 121.223 -0.153 0.000 2.698 565 L HA 0.453 4.793 4.340 -0.000 0.000 0.272 565 L C 1.200 178.041 176.870 -0.049 0.000 1.154 565 L CA 0.801 55.511 54.840 -0.217 0.000 0.964 565 L CB -0.640 41.266 42.059 -0.256 0.000 1.272 565 L HN 0.828 nan 8.230 nan 0.000 0.483 566 F N 0.205 119.963 119.950 -0.319 0.000 1.698 566 F HA -0.196 4.331 4.527 -0.000 0.000 0.289 566 F C 1.633 177.307 175.800 -0.209 0.000 1.245 566 F CA 0.359 58.243 58.000 -0.193 0.000 1.249 566 F CB -0.172 38.793 39.000 -0.058 0.000 2.021 566 F HN 0.361 nan 8.300 nan 0.000 0.115 567 E N 0.788 121.018 120.200 0.050 0.000 2.051 567 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 567 E C 1.806 178.304 176.600 -0.171 0.000 0.991 567 E CA 1.842 58.216 56.400 -0.043 0.000 0.799 567 E CB -0.171 29.529 29.700 -0.000 0.000 0.748 567 E HN 0.379 nan 8.360 nan 0.000 0.449 568 V N 1.293 121.101 119.914 -0.176 0.000 2.667 568 V HA -0.173 3.947 4.120 -0.000 0.000 0.252 568 V C 2.080 177.982 176.094 -0.319 0.000 1.065 568 V CA 1.257 63.466 62.300 -0.152 0.000 1.083 568 V CB -0.227 31.499 31.823 -0.163 0.000 0.692 568 V HN 0.232 nan 8.190 nan 0.000 0.468 569 L N -2.425 118.430 121.223 -0.613 0.000 2.388 569 L HA 0.226 4.566 4.340 -0.000 0.000 0.209 569 L C 1.745 177.858 176.870 -1.262 0.000 1.061 569 L CA 1.016 55.208 54.840 -1.081 0.000 0.834 569 L CB 0.041 41.126 42.059 -1.623 0.000 1.029 569 L HN 0.287 nan 8.230 nan 0.000 0.473 570 F N -1.151 118.420 119.950 -0.632 0.000 2.784 570 F HA 0.350 4.877 4.527 -0.000 0.000 0.323 570 F C 1.308 176.583 175.800 -0.874 0.000 1.085 570 F CA -0.127 57.427 58.000 -0.743 0.000 1.196 570 F CB 0.441 38.860 39.000 -0.968 0.000 1.053 570 F HN -0.133 nan 8.300 nan 0.000 0.578 571 A N -0.023 122.422 122.820 -0.624 0.000 2.793 571 A HA 0.310 4.630 4.320 -0.000 0.000 0.301 571 A C 0.807 178.195 177.584 -0.327 0.000 1.172 571 A CA -0.174 51.551 52.037 -0.520 0.000 0.973 571 A CB -0.617 18.212 19.000 -0.286 0.000 1.164 571 A HN 0.076 nan 8.150 nan 0.000 0.542 572 N N 0.750 119.265 118.700 -0.309 0.000 2.453 572 N HA 0.007 4.747 4.740 -0.000 0.000 0.183 572 N C 1.474 176.884 175.510 -0.167 0.000 1.041 572 N CA 1.516 54.452 53.050 -0.189 0.000 0.900 572 N CB 0.072 38.468 38.487 -0.151 0.000 0.961 572 N HN 0.867 nan 8.380 nan 0.000 0.443 573 G N -1.129 107.537 108.800 -0.225 0.000 2.157 573 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.248 573 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.248 573 G C 0.916 175.708 174.900 -0.181 0.000 0.979 573 G CA 0.912 45.897 45.100 -0.191 0.000 0.650 573 G HN 0.476 nan 8.290 nan 0.000 0.529 574 S N -1.657 113.938 115.700 -0.174 0.000 2.748 574 S HA 0.267 4.737 4.470 -0.000 0.000 0.241 574 S C 2.261 176.786 174.600 -0.126 0.000 1.064 574 S CA 1.547 59.674 58.200 -0.123 0.000 0.892 574 S CB 0.110 63.282 63.200 -0.046 0.000 0.810 574 S HN 0.571 nan 8.310 nan 0.000 0.555 575 V N 2.665 122.494 119.914 -0.142 0.000 2.871 575 V HA 0.018 4.138 4.120 -0.000 0.000 0.256 575 V C 1.277 177.238 176.094 -0.223 0.000 1.082 575 V CA 1.735 63.979 62.300 -0.094 0.000 1.105 575 V CB -0.609 31.169 31.823 -0.075 0.000 0.713 575 V HN 0.447 nan 8.190 nan 0.000 0.473 576 D N -0.319 119.809 120.400 -0.452 0.000 2.347 576 D HA -0.036 4.604 4.640 -0.000 0.000 0.213 576 D C 2.049 178.220 176.300 -0.216 0.000 0.985 576 D CA 0.179 53.865 54.000 -0.523 0.000 0.879 576 D CB -0.304 40.172 40.800 -0.541 0.000 0.919 576 D HN 0.235 nan 8.370 nan 0.000 0.526 577 R N -0.062 120.254 120.500 -0.307 0.000 2.224 577 R HA -0.203 4.137 4.340 -0.000 0.000 0.255 577 R C -0.125 175.854 176.300 -0.535 0.000 1.130 577 R CA 1.216 57.002 56.100 -0.524 0.000 0.957 577 R CB -0.270 29.497 30.300 -0.889 0.000 0.907 577 R HN 0.156 nan 8.270 nan 0.000 0.446 578 F N 1.563 121.535 119.950 0.036 0.000 2.408 578 F HA 0.392 4.919 4.527 -0.000 0.000 0.344 578 F C -1.660 174.244 175.800 0.173 0.000 1.112 578 F CA -3.026 55.029 58.000 0.092 0.000 1.096 578 F CB 0.994 40.033 39.000 0.065 0.000 1.129 578 F HN 0.059 nan 8.300 nan 0.000 0.486 579 P HA 0.067 nan 4.420 nan 0.000 0.272 579 P C 0.106 177.515 177.300 0.181 0.000 1.240 579 P CA -0.194 63.033 63.100 0.212 0.000 0.791 579 P CB 1.025 32.808 31.700 0.139 0.000 0.978 580 A N 0.915 123.799 122.820 0.108 0.000 2.225 580 A HA -0.065 4.255 4.320 -0.000 0.000 0.215 580 A C 1.655 179.204 177.584 -0.057 0.000 1.164 580 A CA 1.340 53.382 52.037 0.008 0.000 0.710 580 A CB -0.969 18.035 19.000 0.007 0.000 0.780 580 A HN 0.674 nan 8.150 nan 0.000 0.473 581 S N -1.065 114.634 115.700 -0.001 0.000 2.397 581 S HA 0.290 4.760 4.470 -0.000 0.000 0.261 581 S C 0.513 175.100 174.600 -0.021 0.000 1.187 581 S CA 0.566 58.757 58.200 -0.015 0.000 1.023 581 S CB 0.197 63.415 63.200 0.030 0.000 1.103 581 S HN 0.411 nan 8.310 nan 0.000 0.474 582 D N -1.439 118.983 120.400 0.037 0.000 2.955 582 D HA -0.124 4.516 4.640 -0.000 0.000 0.226 582 D C -0.330 175.975 176.300 0.008 0.000 1.178 582 D CA 1.026 55.090 54.000 0.107 0.000 0.808 582 D CB -1.274 39.675 40.800 0.248 0.000 1.099 582 D HN 0.282 nan 8.370 nan 0.000 0.421 583 V N 0.617 120.428 119.914 -0.173 0.000 2.771 583 V HA 0.192 4.311 4.120 -0.000 0.000 0.355 583 V C -0.055 175.947 176.094 -0.152 0.000 1.289 583 V CA -0.114 61.968 62.300 -0.363 0.000 1.231 583 V CB 0.130 31.517 31.823 -0.726 0.000 1.396 583 V HN 0.475 nan 8.190 nan 0.000 0.628 584 N N 1.706 120.386 118.700 -0.034 0.000 2.621 584 N HA -0.142 4.598 4.740 -0.000 0.000 0.291 584 N C -1.929 173.530 175.510 -0.087 0.000 1.580 584 N CA 0.762 53.785 53.050 -0.044 0.000 1.058 584 N CB 0.489 38.902 38.487 -0.123 0.000 0.975 584 N HN 0.236 nan 8.380 nan 0.000 0.477 585 P HA -0.171 nan 4.420 nan 0.000 0.217 585 P C -0.064 177.162 177.300 -0.123 0.000 1.162 585 P CA 1.524 64.576 63.100 -0.079 0.000 0.901 585 P CB 0.043 31.708 31.700 -0.058 0.000 0.793 586 D N -1.049 119.250 120.400 -0.168 0.000 2.371 586 D HA 0.046 4.686 4.640 -0.000 0.000 0.242 586 D C 0.077 176.178 176.300 -0.331 0.000 1.218 586 D CA 0.307 54.117 54.000 -0.317 0.000 0.945 586 D CB -0.159 40.352 40.800 -0.481 0.000 1.137 586 D HN 0.314 nan 8.370 nan 0.000 0.464 587 H N -1.798 117.145 119.070 -0.211 0.000 4.237 587 H HA -0.035 4.521 4.556 -0.000 0.000 0.290 587 H C -0.656 174.562 175.328 -0.184 0.000 0.689 587 H CA 0.509 56.415 56.048 -0.236 0.000 0.817 587 H CB -1.129 28.345 29.762 -0.482 0.000 1.217 587 H HN 0.613 nan 8.280 nan 0.000 0.320 588 A N 2.791 125.605 122.820 -0.009 0.000 2.256 588 A HA 0.606 4.926 4.320 -0.000 0.000 0.318 588 A C 0.620 178.202 177.584 -0.004 0.000 1.103 588 A CA -0.282 51.736 52.037 -0.033 0.000 0.860 588 A CB 1.141 20.117 19.000 -0.039 0.000 1.182 588 A HN 0.635 nan 8.150 nan 0.000 0.501 589 N N -0.493 118.196 118.700 -0.017 0.000 2.701 589 N HA 0.047 4.787 4.740 -0.000 0.000 0.258 589 N C 0.484 175.997 175.510 0.006 0.000 1.262 589 N CA -0.336 52.721 53.050 0.012 0.000 0.780 589 N CB 0.484 38.933 38.487 -0.063 0.000 1.380 589 N HN 0.811 nan 8.380 nan 0.000 0.548 590 H N 1.949 120.946 119.070 -0.122 0.000 2.422 590 H HA -0.056 4.500 4.556 -0.000 0.000 0.298 590 H C 0.058 175.241 175.328 -0.242 0.000 1.098 590 H CA 1.469 57.404 56.048 -0.188 0.000 1.315 590 H CB 0.159 29.790 29.762 -0.219 0.000 1.382 590 H HN 0.484 nan 8.280 nan 0.000 0.523 591 E N 0.469 120.316 120.200 -0.589 0.000 2.511 591 E HA 0.213 4.563 4.350 -0.000 0.000 0.196 591 E C 1.777 178.185 176.600 -0.320 0.000 1.066 591 E CA 0.596 56.675 56.400 -0.536 0.000 0.871 591 E CB 0.301 29.789 29.700 -0.353 0.000 0.863 591 E HN 0.657 nan 8.360 nan 0.000 0.520 592 A N 0.379 123.066 122.820 -0.221 0.000 2.259 592 A HA 0.476 4.796 4.320 -0.000 0.000 0.213 592 A C 2.056 179.556 177.584 -0.139 0.000 1.209 592 A CA 0.510 52.459 52.037 -0.146 0.000 0.910 592 A CB 0.197 19.129 19.000 -0.115 0.000 0.946 592 A HN 0.243 nan 8.150 nan 0.000 0.497 593 A N 0.057 122.780 122.820 -0.162 0.000 1.898 593 A HA 0.373 4.693 4.320 -0.000 0.000 0.214 593 A C 0.931 178.431 177.584 -0.140 0.000 1.183 593 A CA 0.419 52.384 52.037 -0.120 0.000 0.622 593 A CB -0.368 18.570 19.000 -0.103 0.000 0.824 593 A HN 0.414 nan 8.150 nan 0.000 0.444 594 L N -0.262 120.799 121.223 -0.271 0.000 2.350 594 L HA 0.533 4.873 4.340 -0.000 0.000 0.275 594 L C -0.619 176.028 176.870 -0.371 0.000 1.099 594 L CA -0.638 54.005 54.840 -0.329 0.000 0.808 594 L CB 0.202 41.952 42.059 -0.516 0.000 1.149 594 L HN 0.340 nan 8.230 nan 0.000 0.442 595 F N -0.021 119.899 119.950 -0.050 0.000 2.183 595 F HA -0.140 4.387 4.527 -0.000 0.000 0.318 595 F C 0.990 176.713 175.800 -0.128 0.000 1.287 595 F CA 0.259 58.172 58.000 -0.146 0.000 0.912 595 F CB -1.206 37.447 39.000 -0.579 0.000 4.135 595 F HN 0.654 nan 8.300 nan 0.000 0.138 596 G N -0.414 108.525 108.800 0.232 0.000 3.126 596 G HA2 0.392 4.352 3.960 -0.000 0.000 0.224 596 G HA3 0.392 4.352 3.960 -0.000 0.000 0.224 596 G C 0.240 175.314 174.900 0.290 0.000 1.142 596 G CA 0.432 45.672 45.100 0.233 0.000 0.759 596 G HN 0.469 nan 8.290 nan 0.000 0.550 597 F N -1.187 118.868 119.950 0.175 0.000 2.433 597 F HA 0.708 5.235 4.527 -0.000 0.000 0.288 597 F C -0.210 175.727 175.800 0.228 0.000 0.996 597 F CA -3.131 54.966 58.000 0.162 0.000 1.104 597 F CB 0.071 39.135 39.000 0.106 0.000 1.946 597 F HN -0.132 nan 8.300 nan 0.000 0.583 598 Y N 2.094 122.530 120.300 0.228 0.000 2.563 598 Y HA 0.451 5.001 4.550 -0.000 0.000 0.351 598 Y C -2.504 173.397 175.900 0.000 0.000 1.087 598 Y CA -4.134 53.980 58.100 0.022 0.000 1.272 598 Y CB 0.280 38.752 38.460 0.019 0.000 1.095 598 Y HN 0.133 nan 8.280 nan 0.000 0.620 599 P HA -0.294 nan 4.420 nan 0.000 0.216 599 P C 1.573 178.649 177.300 -0.373 0.000 1.167 599 P CA 2.749 65.806 63.100 -0.070 0.000 0.933 599 P CB 0.315 31.934 31.700 -0.134 0.000 0.793 600 Q N 0.378 119.731 119.800 -0.745 0.000 2.029 600 Q HA -0.256 4.084 4.340 -0.000 0.000 0.209 600 Q C 2.151 177.522 176.000 -1.048 0.000 0.999 600 Q CA 1.874 56.842 55.803 -1.393 0.000 0.857 600 Q CB -1.335 26.325 28.738 -1.797 0.000 0.926 600 Q HN 0.317 nan 8.270 nan 0.000 0.415 601 K N 0.802 120.213 120.400 -1.648 0.000 2.009 601 K HA -0.143 4.177 4.320 -0.000 0.000 0.210 601 K C 2.298 178.487 176.600 -0.684 0.000 1.049 601 K CA 1.599 56.737 56.287 -1.914 0.000 0.929 601 K CB -0.606 30.446 32.500 -2.412 0.000 0.714 601 K HN 0.351 nan 8.250 nan 0.000 0.440 602 G N 1.137 109.792 108.800 -0.242 0.000 2.480 602 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.216 602 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.216 602 G C 1.450 176.455 174.900 0.175 0.000 1.200 602 G CA 1.138 46.354 45.100 0.192 0.000 0.782 602 G HN 0.207 nan 8.290 nan 0.000 0.554 603 L N -0.779 120.526 121.223 0.137 0.000 2.012 603 L HA 0.014 4.354 4.340 -0.000 0.000 0.210 603 L C 2.504 179.550 176.870 0.293 0.000 1.073 603 L CA 1.287 56.321 54.840 0.324 0.000 0.748 603 L CB -0.588 41.680 42.059 0.348 0.000 0.891 603 L HN 0.216 nan 8.230 nan 0.000 0.431 604 F N 0.653 120.715 119.950 0.187 0.000 2.046 604 F HA -0.253 4.274 4.527 -0.000 0.000 0.297 604 F C 2.646 178.606 175.800 0.266 0.000 1.123 604 F CA 1.798 60.007 58.000 0.349 0.000 1.199 604 F CB -0.211 39.159 39.000 0.617 0.000 0.972 604 F HN 0.053 nan 8.300 nan 0.000 0.474 605 E N 0.240 120.605 120.200 0.274 0.000 2.153 605 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 605 E C 2.141 178.805 176.600 0.108 0.000 0.988 605 E CA 1.326 57.837 56.400 0.185 0.000 0.811 605 E CB -0.472 29.398 29.700 0.283 0.000 0.746 605 E HN 0.664 nan 8.360 nan 0.000 0.466 606 E N 0.034 120.336 120.200 0.169 0.000 2.006 606 E HA -0.210 4.140 4.350 -0.000 0.000 0.192 606 E C 2.176 178.866 176.600 0.151 0.000 0.993 606 E CA 0.787 57.310 56.400 0.205 0.000 0.808 606 E CB -0.387 29.528 29.700 0.357 0.000 0.764 606 E HN 0.218 nan 8.360 nan 0.000 0.449 607 Y N 1.163 121.334 120.300 -0.214 0.000 2.173 607 Y HA -0.304 4.246 4.550 -0.000 0.000 0.282 607 Y C 1.921 177.685 175.900 -0.227 0.000 1.192 607 Y CA 1.878 59.618 58.100 -0.601 0.000 1.176 607 Y CB -0.718 36.792 38.460 -1.583 0.000 0.969 607 Y HN 0.172 nan 8.280 nan 0.000 0.519 608 A N 0.669 123.159 122.820 -0.551 0.000 2.024 608 A HA -0.072 4.248 4.320 -0.000 0.000 0.220 608 A C 2.404 179.806 177.584 -0.304 0.000 1.164 608 A CA 1.667 53.366 52.037 -0.564 0.000 0.643 608 A CB -1.426 17.347 19.000 -0.378 0.000 0.806 608 A HN 0.701 nan 8.150 nan 0.000 0.451 609 A N -1.614 121.105 122.820 -0.170 0.000 2.172 609 A HA 0.132 4.452 4.320 -0.000 0.000 0.216 609 A C 1.731 179.195 177.584 -0.200 0.000 1.154 609 A CA 0.923 52.876 52.037 -0.141 0.000 0.701 609 A CB -0.699 18.213 19.000 -0.146 0.000 0.789 609 A HN 0.454 nan 8.150 nan 0.000 0.465 610 F N 0.340 120.102 119.950 -0.312 0.000 2.186 610 F HA 0.079 4.606 4.527 -0.000 0.000 0.299 610 F C 2.053 177.720 175.800 -0.222 0.000 1.090 610 F CA 0.843 58.657 58.000 -0.309 0.000 1.307 610 F CB -0.547 38.208 39.000 -0.408 0.000 1.019 610 F HN 0.286 nan 8.300 nan 0.000 0.489 611 G N -1.413 107.339 108.800 -0.081 0.000 2.695 611 G HA2 0.487 4.447 3.960 -0.000 0.000 0.213 611 G HA3 0.487 4.447 3.960 -0.000 0.000 0.213 611 G C -0.618 174.353 174.900 0.119 0.000 1.406 611 G CA -0.703 44.413 45.100 0.025 0.000 1.049 611 G HN 0.119 nan 8.290 nan 0.000 0.573 612 R N -1.154 119.398 120.500 0.086 0.000 2.022 612 R HA -0.098 4.241 4.340 -0.000 0.000 0.372 612 R C 0.654 176.982 176.300 0.047 0.000 1.161 612 R CA 0.604 56.749 56.100 0.074 0.000 0.928 612 R CB -1.575 28.746 30.300 0.035 0.000 2.817 612 R HN 2.317 nan 8.270 nan 0.000 0.489 613 G N 1.648 110.475 108.800 0.044 0.000 3.050 613 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.234 613 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.234 613 G C -0.786 174.077 174.900 -0.062 0.000 1.521 613 G CA 0.025 45.048 45.100 -0.129 0.000 1.090 613 G HN 0.845 nan 8.290 nan 0.000 0.556 614 H N 2.755 121.881 119.070 0.093 0.000 3.327 614 H HA 0.382 4.938 4.556 -0.000 0.000 0.229 614 H C 1.747 177.014 175.328 -0.102 0.000 0.895 614 H CA 1.179 57.249 56.048 0.037 0.000 1.380 614 H CB -0.775 29.033 29.762 0.076 0.000 1.545 614 H HN 1.930 nan 8.280 nan 0.000 0.509 615 G N 2.833 111.335 108.800 -0.497 0.000 2.616 615 G HA2 -0.481 3.479 3.960 -0.000 0.000 0.361 615 G HA3 -0.481 3.479 3.960 -0.000 0.000 0.361 615 G C 0.455 175.137 174.900 -0.364 0.000 1.361 615 G CA 0.591 45.226 45.100 -0.775 0.000 0.969 615 G HN 1.030 nan 8.290 nan 0.000 0.528 616 H N 0.011 118.972 119.070 -0.182 0.000 2.814 616 H HA -0.176 4.380 4.556 -0.000 0.000 0.313 616 H C 0.510 175.652 175.328 -0.309 0.000 1.027 616 H CA 1.391 57.135 56.048 -0.508 0.000 1.180 616 H CB -1.850 27.573 29.762 -0.565 0.000 1.366 616 H HN 0.632 nan 8.280 nan 0.000 0.364 617 D N 1.172 121.592 120.400 0.032 0.000 2.455 617 D HA 0.137 4.777 4.640 -0.000 0.000 0.265 617 D C 0.731 177.124 176.300 0.154 0.000 1.284 617 D CA 0.265 54.327 54.000 0.103 0.000 0.944 617 D CB 0.384 41.297 40.800 0.189 0.000 1.121 617 D HN 0.253 nan 8.370 nan 0.000 0.525 618 L N 1.971 123.252 121.223 0.097 0.000 2.399 618 L HA 0.532 4.872 4.340 -0.000 0.000 0.266 618 L C 0.944 178.006 176.870 0.321 0.000 1.114 618 L CA -1.006 54.004 54.840 0.283 0.000 0.804 618 L CB 1.039 43.218 42.059 0.200 0.000 1.146 618 L HN 0.370 nan 8.230 nan 0.000 0.451 619 A N 3.212 126.273 122.820 0.401 0.000 2.280 619 A HA 0.548 4.867 4.320 -0.000 0.000 0.268 619 A C -2.342 175.351 177.584 0.182 0.000 1.111 619 A CA -1.294 50.768 52.037 0.041 0.000 0.814 619 A CB -0.463 18.235 19.000 -0.503 0.000 1.093 619 A HN 0.446 nan 8.150 nan 0.000 0.498 620 P HA 0.067 nan 4.420 nan 0.000 0.268 620 P C 0.580 178.034 177.300 0.257 0.000 1.204 620 P CA -0.033 63.181 63.100 0.191 0.000 0.768 620 P CB 0.177 31.935 31.700 0.096 0.000 0.842 621 F N 3.945 124.100 119.950 0.340 0.000 2.039 621 F HA -0.371 4.156 4.527 -0.000 0.000 0.296 621 F C 1.704 177.513 175.800 0.015 0.000 1.119 621 F CA 2.083 60.244 58.000 0.269 0.000 1.211 621 F CB -0.482 38.669 39.000 0.252 0.000 0.956 621 F HN 0.267 nan 8.300 nan 0.000 0.496 622 D N -0.283 120.361 120.400 0.406 0.000 2.158 622 D HA -0.192 4.448 4.640 -0.000 0.000 0.197 622 D C 2.283 178.542 176.300 -0.068 0.000 0.995 622 D CA 2.029 56.165 54.000 0.227 0.000 0.846 622 D CB -0.773 40.185 40.800 0.263 0.000 0.941 622 D HN 0.383 nan 8.370 nan 0.000 0.456 623 T N 0.066 114.518 114.554 -0.169 0.000 2.684 623 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 623 T C 1.758 176.187 174.700 -0.451 0.000 1.036 623 T CA 0.958 62.884 62.100 -0.290 0.000 1.148 623 T CB -0.538 68.109 68.868 -0.369 0.000 0.863 623 T HN 0.315 nan 8.240 nan 0.000 0.436 624 Y N 0.208 120.107 120.300 -0.668 0.000 2.384 624 Y HA -0.155 4.395 4.550 -0.000 0.000 0.289 624 Y C 2.352 177.749 175.900 -0.838 0.000 1.152 624 Y CA 1.157 58.638 58.100 -1.032 0.000 1.258 624 Y CB -0.322 36.791 38.460 -2.245 0.000 0.979 624 Y HN 0.489 nan 8.280 nan 0.000 0.549 625 H N -1.363 117.425 119.070 -0.470 0.000 2.512 625 H HA -0.036 4.519 4.556 -0.000 0.000 0.279 625 H C 1.749 177.016 175.328 -0.102 0.000 0.999 625 H CA 0.416 56.317 56.048 -0.245 0.000 1.283 625 H CB 0.438 30.090 29.762 -0.183 0.000 1.421 625 H HN 0.168 nan 8.280 nan 0.000 0.554 626 E N 0.429 120.640 120.200 0.019 0.000 2.385 626 E HA 0.048 4.398 4.350 -0.000 0.000 0.194 626 E C -0.029 176.576 176.600 0.008 0.000 1.013 626 E CA 0.199 56.617 56.400 0.031 0.000 0.866 626 E CB 0.798 30.507 29.700 0.016 0.000 0.832 626 E HN 0.138 nan 8.360 nan 0.000 0.500 627 V N 0.414 120.311 119.914 -0.029 0.000 3.019 627 V HA 0.361 4.480 4.120 -0.000 0.000 0.317 627 V C 0.009 176.117 176.094 0.024 0.000 1.094 627 V CA -0.930 61.363 62.300 -0.013 0.000 1.000 627 V CB 1.892 33.684 31.823 -0.051 0.000 1.060 627 V HN -0.133 nan 8.190 nan 0.000 0.443 628 R N 2.066 122.591 120.500 0.041 0.000 3.657 628 R HA 0.560 4.900 4.340 -0.000 0.000 0.220 628 R C 0.569 176.933 176.300 0.107 0.000 1.548 628 R CA 0.670 56.816 56.100 0.075 0.000 1.465 628 R CB 0.126 30.460 30.300 0.056 0.000 1.330 628 R HN 1.237 nan 8.270 nan 0.000 0.707 629 G N 0.629 109.518 108.800 0.149 0.000 2.856 629 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.674 629 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.674 629 G C -0.939 174.010 174.900 0.081 0.000 1.519 629 G CA -0.889 44.309 45.100 0.165 0.000 0.940 629 G HN 0.364 nan 8.290 nan 0.000 0.564 630 L N 0.908 122.219 121.223 0.146 0.000 2.493 630 L HA 0.405 4.745 4.340 -0.000 0.000 0.265 630 L C -0.361 176.595 176.870 0.144 0.000 0.954 630 L CA -1.316 53.595 54.840 0.119 0.000 0.844 630 L CB 2.392 44.548 42.059 0.162 0.000 1.302 630 L HN 0.812 nan 8.230 nan 0.000 0.405 631 H N 1.096 120.154 119.070 -0.020 0.000 2.764 631 H HA 0.160 4.716 4.556 -0.000 0.000 0.341 631 H C -0.626 174.682 175.328 -0.034 0.000 1.072 631 H CA -0.676 55.291 56.048 -0.134 0.000 1.444 631 H CB 0.334 29.917 29.762 -0.298 0.000 1.458 631 H HN 0.552 nan 8.280 nan 0.000 0.572 632 W N 2.575 123.935 121.300 0.100 0.000 2.381 632 W HA 0.591 5.251 4.660 -0.000 0.000 0.329 632 W C -2.861 173.659 176.519 0.002 0.000 1.157 632 W CA -2.092 55.298 57.345 0.076 0.000 1.240 632 W CB 1.453 30.977 29.460 0.105 0.000 1.199 632 W HN 0.568 nan 8.180 nan 0.000 0.579 633 P HA -0.076 nan 4.420 nan 0.000 0.449 633 P C -1.342 176.126 177.300 0.280 0.000 0.830 633 P CA -0.524 62.794 63.100 0.363 0.000 1.030 633 P CB -0.756 31.109 31.700 0.275 0.000 2.849 634 V N 2.124 122.201 119.914 0.271 0.000 2.339 634 V HA 0.332 4.452 4.120 -0.000 0.000 0.261 634 V C 0.685 176.872 176.094 0.154 0.000 1.058 634 V CA -0.404 62.011 62.300 0.193 0.000 0.897 634 V CB 1.460 33.390 31.823 0.178 0.000 1.052 634 V HN 0.188 nan 8.190 nan 0.000 0.480 635 V N 4.629 124.625 119.914 0.137 0.000 2.347 635 V HA 0.416 4.536 4.120 -0.000 0.000 0.280 635 V C 0.643 176.769 176.094 0.053 0.000 1.021 635 V CA -0.494 61.867 62.300 0.101 0.000 0.847 635 V CB 0.924 32.807 31.823 0.101 0.000 0.990 635 V HN 1.011 nan 8.190 nan 0.000 0.444 636 E N 3.633 123.854 120.200 0.036 0.000 2.513 636 E HA -0.249 4.101 4.350 -0.000 0.000 0.257 636 E C 1.161 177.770 176.600 0.016 0.000 1.098 636 E CA 0.582 56.992 56.400 0.018 0.000 0.752 636 E CB -1.242 28.462 29.700 0.007 0.000 1.324 636 E HN 1.516 nan 8.360 nan 0.000 0.403 637 G N 0.287 109.096 108.800 0.015 0.000 2.153 637 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.252 637 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.252 637 G C -0.104 174.801 174.900 0.008 0.000 0.994 637 G CA 0.852 45.948 45.100 -0.007 0.000 0.698 637 G HN 0.349 nan 8.290 nan 0.000 0.521 638 E N 0.825 121.046 120.200 0.035 0.000 2.191 638 E HA 0.328 4.678 4.350 -0.000 0.000 0.263 638 E C 0.434 177.080 176.600 0.076 0.000 0.881 638 E CA -0.574 55.855 56.400 0.050 0.000 0.757 638 E CB 1.159 30.888 29.700 0.049 0.000 1.147 638 E HN 0.756 nan 8.360 nan 0.000 0.414 639 E N 1.571 121.821 120.200 0.083 0.000 2.392 639 E HA 0.264 4.614 4.350 -0.000 0.000 0.259 639 E C -0.614 176.010 176.600 0.039 0.000 1.108 639 E CA -0.298 56.164 56.400 0.104 0.000 0.916 639 E CB 0.643 30.450 29.700 0.179 0.000 0.989 639 E HN 0.055 nan 8.360 nan 0.000 0.432 640 T N 1.935 116.476 114.554 -0.022 0.000 2.791 640 T HA 0.239 4.589 4.350 -0.000 0.000 0.288 640 T C 0.525 174.979 174.700 -0.409 0.000 0.999 640 T CA -0.685 61.350 62.100 -0.109 0.000 0.952 640 T CB 1.157 70.016 68.868 -0.016 0.000 0.938 640 T HN 0.441 nan 8.240 nan 0.000 0.444 641 R N 2.148 122.324 120.500 -0.539 0.000 2.054 641 R HA 0.105 4.445 4.340 -0.000 0.000 0.223 641 R C 0.329 176.042 176.300 -0.979 0.000 1.176 641 R CA 0.722 56.173 56.100 -1.081 0.000 0.934 641 R CB 0.203 29.620 30.300 -1.471 0.000 0.828 641 R HN 0.517 nan 8.270 nan 0.000 0.441 642 W N 2.482 123.560 121.300 -0.370 0.000 2.335 642 W HA 0.375 5.035 4.660 -0.000 0.000 0.307 642 W C 0.041 176.449 176.519 -0.186 0.000 1.117 642 W CA -0.701 56.458 57.345 -0.311 0.000 1.228 642 W CB 0.589 29.793 29.460 -0.427 0.000 1.240 642 W HN 0.074 nan 8.180 nan 0.000 0.468 643 R N 2.059 122.469 120.500 -0.149 0.000 2.459 643 R HA 0.241 4.581 4.340 -0.000 0.000 0.281 643 R C -0.578 175.506 176.300 -0.359 0.000 1.050 643 R CA -0.456 55.408 56.100 -0.393 0.000 1.055 643 R CB 0.657 30.419 30.300 -0.896 0.000 1.045 643 R HN 0.414 nan 8.270 nan 0.000 0.495 644 Y N -1.589 118.769 120.300 0.097 0.000 4.569 644 Y HA -0.263 4.287 4.550 -0.000 0.000 0.237 644 Y C -0.276 175.624 175.900 -0.000 0.000 1.090 644 Y CA 0.163 58.251 58.100 -0.020 0.000 2.052 644 Y CB -1.604 36.697 38.460 -0.266 0.000 1.621 644 Y HN 0.507 nan 8.280 nan 0.000 0.682 645 R N 1.430 122.072 120.500 0.237 0.000 2.476 645 R HA 0.331 4.670 4.340 -0.000 0.000 0.305 645 R C 0.113 176.512 176.300 0.164 0.000 0.965 645 R CA -0.816 55.403 56.100 0.198 0.000 0.867 645 R CB 1.710 32.207 30.300 0.328 0.000 1.176 645 R HN 0.478 nan 8.270 nan 0.000 0.447 646 E N 1.136 121.382 120.200 0.078 0.000 2.465 646 E HA 0.098 4.448 4.350 -0.000 0.000 0.260 646 E C 0.743 177.302 176.600 -0.068 0.000 0.980 646 E CA 1.281 57.696 56.400 0.026 0.000 0.927 646 E CB 0.323 30.025 29.700 0.004 0.000 0.934 646 E HN 0.785 nan 8.360 nan 0.000 0.459 647 G N 3.614 112.368 108.800 -0.076 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 0.489 175.283 174.900 -0.178 0.000 1.073 647 G CA 0.224 45.204 45.100 -0.200 0.000 0.635 647 G HN 0.531 nan 8.290 nan 0.000 0.509 648 F N 1.635 121.640 119.950 0.091 0.000 2.274 648 F HA 0.389 4.915 4.527 -0.000 0.000 0.288 648 F C 1.248 177.121 175.800 0.121 0.000 1.069 648 F CA 0.483 58.571 58.000 0.145 0.000 1.343 648 F CB 0.064 39.208 39.000 0.240 0.000 1.089 648 F HN 0.132 nan 8.300 nan 0.000 0.517 649 D N 1.305 121.890 120.400 0.308 0.000 2.193 649 D HA 0.190 4.830 4.640 -0.000 0.000 0.244 649 D C -1.906 174.515 176.300 0.201 0.000 1.064 649 D CA -2.501 51.656 54.000 0.262 0.000 0.845 649 D CB 1.929 42.913 40.800 0.307 0.000 1.148 649 D HN -0.045 nan 8.370 nan 0.000 0.464 650 P HA -0.061 nan 4.420 nan 0.000 0.236 650 P C 0.649 177.853 177.300 -0.160 0.000 1.177 650 P CA 0.445 63.540 63.100 -0.008 0.000 0.773 650 P CB 0.112 31.776 31.700 -0.059 0.000 0.878 651 Y N -0.195 120.070 120.300 -0.059 0.000 2.529 651 Y HA 0.072 4.622 4.550 -0.000 0.000 0.290 651 Y C 1.107 176.885 175.900 -0.204 0.000 1.177 651 Y CA 0.117 58.053 58.100 -0.273 0.000 1.305 651 Y CB -0.122 37.911 38.460 -0.711 0.000 1.047 651 Y HN -0.271 nan 8.280 nan 0.000 0.522 652 V N 1.559 121.531 119.914 0.097 0.000 2.350 652 V HA 0.158 4.278 4.120 -0.000 0.000 0.276 652 V C -0.049 176.063 176.094 0.029 0.000 1.028 652 V CA -1.481 60.897 62.300 0.130 0.000 0.860 652 V CB 1.103 33.041 31.823 0.193 0.000 0.990 652 V HN 0.088 nan 8.190 nan 0.000 0.453 653 K N 6.097 126.504 120.400 0.011 0.000 2.401 653 K HA 0.177 4.497 4.320 -0.000 0.000 0.278 653 K C -1.569 175.027 176.600 -0.006 0.000 1.018 653 K CA -1.132 55.144 56.287 -0.017 0.000 0.981 653 K CB 0.517 33.007 32.500 -0.016 0.000 0.933 653 K HN 0.321 nan 8.250 nan 0.000 0.477 654 P HA -0.267 nan 4.420 nan 0.000 0.224 654 P C 0.403 177.698 177.300 -0.008 0.000 1.153 654 P CA 1.496 64.585 63.100 -0.018 0.000 0.947 654 P CB 0.023 31.708 31.700 -0.025 0.000 0.790 655 G N -1.087 107.710 108.800 -0.004 0.000 2.915 655 G HA2 0.175 4.135 3.960 -0.000 0.000 0.298 655 G HA3 0.175 4.135 3.960 -0.000 0.000 0.298 655 G C 0.248 175.157 174.900 0.015 0.000 0.837 655 G CA -0.004 45.097 45.100 0.003 0.000 1.752 655 G HN 0.235 nan 8.290 nan 0.000 0.526 656 E N 0.150 120.364 120.200 0.024 0.000 3.706 656 E HA 0.351 4.701 4.350 -0.000 0.000 0.266 656 E C 1.597 178.236 176.600 0.064 0.000 1.251 656 E CA 0.581 57.008 56.400 0.045 0.000 1.870 656 E CB 0.290 30.020 29.700 0.051 0.000 1.842 656 E HN 0.647 nan 8.360 nan 0.000 0.862 657 G N 0.943 109.771 108.800 0.046 0.000 4.731 657 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.266 657 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.266 657 G C -0.384 174.518 174.900 0.003 0.000 1.635 657 G CA 0.095 45.221 45.100 0.043 0.000 1.229 657 G HN 0.178 nan 8.290 nan 0.000 0.663 658 L N 0.303 121.486 121.223 -0.067 0.000 2.333 658 L HA 0.937 5.276 4.340 -0.000 0.000 0.263 658 L C -0.054 176.679 176.870 -0.227 0.000 1.014 658 L CA -0.757 53.915 54.840 -0.281 0.000 0.820 658 L CB 2.390 43.994 42.059 -0.757 0.000 1.352 658 L HN 0.749 nan 8.230 nan 0.000 0.421 659 R N 2.207 122.525 120.500 -0.302 0.000 3.154 659 R HA 0.234 4.574 4.340 -0.000 0.000 0.260 659 R C -1.758 174.395 176.300 -0.246 0.000 1.515 659 R CA -0.369 55.645 56.100 -0.143 0.000 0.997 659 R CB 0.042 30.405 30.300 0.105 0.000 1.437 659 R HN 0.332 nan 8.270 nan 0.000 0.398 660 F N 5.908 125.712 119.950 -0.244 0.000 2.659 660 F HA 0.080 4.607 4.527 -0.000 0.000 0.356 660 F C 0.994 176.546 175.800 -0.414 0.000 1.273 660 F CA -0.152 57.431 58.000 -0.694 0.000 1.243 660 F CB -0.405 38.333 39.000 -0.437 0.000 1.683 660 F HN 0.512 nan 8.300 nan 0.000 0.679 661 Y N -1.144 119.135 120.300 -0.035 0.000 2.749 661 Y HA 0.123 4.673 4.550 -0.000 0.000 0.321 661 Y C 1.635 177.581 175.900 0.077 0.000 1.195 661 Y CA -0.158 57.980 58.100 0.064 0.000 1.338 661 Y CB -1.259 37.279 38.460 0.130 0.000 1.017 661 Y HN 0.377 nan 8.280 nan 0.000 0.517 662 G N 0.502 109.309 108.800 0.011 0.000 2.408 662 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.215 662 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.215 662 G C 0.823 175.786 174.900 0.104 0.000 1.156 662 G CA -0.138 45.023 45.100 0.102 0.000 0.793 662 G HN 0.067 nan 8.290 nan 0.000 0.535 663 K N 0.641 121.078 120.400 0.061 0.000 2.218 663 K HA 0.248 4.568 4.320 -0.000 0.000 0.276 663 K C -1.595 175.053 176.600 0.079 0.000 1.022 663 K CA -2.051 54.266 56.287 0.050 0.000 0.946 663 K CB 1.767 34.271 32.500 0.006 0.000 1.000 663 K HN -0.090 nan 8.250 nan 0.000 0.468 664 P HA -0.153 nan 4.420 nan 0.000 0.214 664 P C 0.588 177.923 177.300 0.059 0.000 1.162 664 P CA 1.231 64.371 63.100 0.067 0.000 0.879 664 P CB 0.166 31.894 31.700 0.048 0.000 0.786 665 D N -1.143 119.281 120.400 0.040 0.000 2.348 665 D HA -0.010 4.629 4.640 -0.000 0.000 0.216 665 D C 1.227 177.556 176.300 0.047 0.000 0.970 665 D CA 1.028 55.047 54.000 0.032 0.000 0.889 665 D CB -1.099 39.708 40.800 0.011 0.000 0.912 665 D HN 0.259 nan 8.370 nan 0.000 0.524 666 G N 0.819 109.660 108.800 0.069 0.000 2.246 666 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.273 666 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.273 666 G C -0.144 174.842 174.900 0.144 0.000 1.055 666 G CA -0.050 45.111 45.100 0.103 0.000 0.851 666 G HN 0.454 nan 8.290 nan 0.000 0.500 667 R N -0.515 120.043 120.500 0.096 0.000 2.621 667 R HA 0.702 5.042 4.340 -0.000 0.000 0.292 667 R C 0.163 176.408 176.300 -0.091 0.000 0.969 667 R CA -0.193 55.949 56.100 0.068 0.000 0.887 667 R CB 1.922 32.204 30.300 -0.031 0.000 1.180 667 R HN 0.532 nan 8.270 nan 0.000 0.450 668 A N 2.617 125.275 122.820 -0.269 0.000 2.327 668 A HA 0.442 4.762 4.320 -0.000 0.000 0.283 668 A C 0.093 177.333 177.584 -0.573 0.000 1.127 668 A CA -0.530 51.072 52.037 -0.724 0.000 0.810 668 A CB 0.812 18.955 19.000 -1.427 0.000 1.066 668 A HN 0.439 nan 8.150 nan 0.000 0.492 669 V N 3.080 122.649 119.914 -0.576 0.000 2.649 669 V HA 0.230 4.350 4.120 -0.000 0.000 0.292 669 V C 0.176 175.948 176.094 -0.537 0.000 1.055 669 V CA 0.110 62.125 62.300 -0.475 0.000 1.023 669 V CB 0.976 32.596 31.823 -0.339 0.000 0.992 669 V HN 0.664 nan 8.190 nan 0.000 0.480 670 I N 5.093 125.279 120.570 -0.640 0.000 2.382 670 I HA 0.316 4.486 4.170 -0.000 0.000 0.286 670 I C -0.710 175.099 176.117 -0.514 0.000 1.002 670 I CA -0.586 60.290 61.300 -0.706 0.000 1.135 670 I CB 1.652 38.898 38.000 -1.257 0.000 1.288 670 I HN 0.398 nan 8.210 nan 0.000 0.448 671 L N 6.047 127.056 121.223 -0.357 0.000 2.292 671 L HA 0.546 4.886 4.340 -0.000 0.000 0.284 671 L C 0.534 177.412 176.870 0.013 0.000 1.065 671 L CA 0.070 54.747 54.840 -0.272 0.000 0.806 671 L CB 1.452 43.185 42.059 -0.543 0.000 1.175 671 L HN 0.585 nan 8.230 nan 0.000 0.431 672 G N 4.558 113.431 108.800 0.123 0.000 2.350 672 G HA2 0.520 4.480 3.960 -0.000 0.000 0.306 672 G HA3 0.520 4.480 3.960 -0.000 0.000 0.306 672 G C -1.152 173.660 174.900 -0.146 0.000 1.094 672 G CA -0.184 45.058 45.100 0.236 0.000 0.953 672 G HN 0.481 nan 8.290 nan 0.000 0.420 673 V N 4.984 124.744 119.914 -0.256 0.000 2.962 673 V HA 0.720 4.840 4.120 -0.000 0.000 0.313 673 V C -2.197 173.666 176.094 -0.385 0.000 1.099 673 V CA -1.684 60.259 62.300 -0.595 0.000 0.971 673 V CB 3.489 34.692 31.823 -1.034 0.000 1.028 673 V HN 0.698 nan 8.190 nan 0.000 0.430 674 P HA 0.286 nan 4.420 nan 0.000 0.296 674 P C -1.396 176.027 177.300 0.204 0.000 1.301 674 P CA -0.527 62.586 63.100 0.021 0.000 0.862 674 P CB 1.076 32.800 31.700 0.040 0.000 1.046 675 Y N 1.985 122.412 120.300 0.212 0.000 2.683 675 Y HA 0.181 4.731 4.550 -0.000 0.000 0.340 675 Y C 0.031 176.122 175.900 0.318 0.000 1.245 675 Y CA 0.767 58.995 58.100 0.213 0.000 1.485 675 Y CB 0.533 39.098 38.460 0.176 0.000 1.328 675 Y HN 0.458 nan 8.280 nan 0.000 0.603 676 E N 6.136 125.799 120.200 -0.896 0.000 2.433 676 E HA 0.500 4.850 4.350 -0.000 0.000 0.273 676 E C -2.769 173.255 176.600 -0.961 0.000 0.950 676 E CA -2.425 53.551 56.400 -0.706 0.000 0.796 676 E CB 2.509 32.107 29.700 -0.169 0.000 1.330 676 E HN 0.440 nan 8.360 nan 0.000 0.455 677 P HA 0.354 nan 4.420 nan 0.000 0.285 677 P C -2.735 174.686 177.300 0.201 0.000 1.285 677 P CA -1.798 61.321 63.100 0.031 0.000 0.854 677 P CB 0.772 32.578 31.700 0.175 0.000 1.180 678 P HA 0.055 nan 4.420 nan 0.000 0.272 678 P C 0.682 177.923 177.300 -0.099 0.000 1.230 678 P CA -0.030 63.171 63.100 0.168 0.000 0.788 678 P CB 0.369 32.209 31.700 0.233 0.000 0.949 679 A N 1.585 124.238 122.820 -0.277 0.000 1.908 679 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 679 A C 1.033 178.386 177.584 -0.385 0.000 1.181 679 A CA 1.557 53.160 52.037 -0.722 0.000 0.627 679 A CB -0.698 18.065 19.000 -0.395 0.000 0.818 679 A HN 0.716 nan 8.150 nan 0.000 0.445 680 E N -0.357 119.750 120.200 -0.155 0.000 2.241 680 E HA 0.525 4.875 4.350 -0.000 0.000 0.263 680 E C -1.314 175.255 176.600 -0.051 0.000 0.882 680 E CA -0.418 55.913 56.400 -0.115 0.000 0.769 680 E CB 1.441 31.067 29.700 -0.125 0.000 1.185 680 E HN 0.248 nan 8.360 nan 0.000 0.415 681 S N 4.076 119.697 115.700 -0.131 0.000 2.621 681 S HA 0.576 5.046 4.470 -0.000 0.000 0.302 681 S C -2.529 171.805 174.600 -0.444 0.000 1.093 681 S CA -1.336 56.657 58.200 -0.345 0.000 1.017 681 S CB 1.528 64.665 63.200 -0.105 0.000 1.077 681 S HN 0.509 nan 8.310 nan 0.000 0.517 682 P HA 0.165 nan 4.420 nan 0.000 0.266 682 P C -0.652 176.512 177.300 -0.227 0.000 1.195 682 P CA 0.113 62.942 63.100 -0.453 0.000 0.768 682 P CB 0.480 31.804 31.700 -0.626 0.000 0.838 683 D N 1.232 121.578 120.400 -0.089 0.000 2.538 683 D HA 0.108 4.748 4.640 -0.000 0.000 0.262 683 D C 0.933 177.204 176.300 -0.048 0.000 1.186 683 D CA -0.420 53.562 54.000 -0.029 0.000 1.090 683 D CB 0.887 41.731 40.800 0.073 0.000 1.187 683 D HN 0.421 nan 8.370 nan 0.000 0.614 684 E N 0.058 120.240 120.200 -0.030 0.000 2.251 684 E HA -0.072 4.278 4.350 -0.000 0.000 0.194 684 E C 1.517 178.058 176.600 -0.097 0.000 0.964 684 E CA 0.238 56.599 56.400 -0.065 0.000 0.868 684 E CB 0.470 30.140 29.700 -0.050 0.000 0.828 684 E HN 0.362 nan 8.360 nan 0.000 0.481 685 E N -0.461 119.689 120.200 -0.084 0.000 2.033 685 E HA -0.075 4.275 4.350 -0.000 0.000 0.189 685 E C -0.319 176.014 176.600 -0.445 0.000 0.979 685 E CA 0.593 56.826 56.400 -0.278 0.000 0.802 685 E CB 0.160 29.682 29.700 -0.297 0.000 0.763 685 E HN 0.076 nan 8.360 nan 0.000 0.449 686 F N 0.252 120.162 119.950 -0.067 0.000 2.300 686 F HA 0.359 4.886 4.527 -0.000 0.000 0.364 686 F C 1.058 176.785 175.800 -0.122 0.000 1.090 686 F CA -0.445 57.521 58.000 -0.058 0.000 1.200 686 F CB 1.338 40.307 39.000 -0.051 0.000 1.493 686 F HN 0.009 nan 8.300 nan 0.000 0.518 687 G N 1.468 110.224 108.800 -0.072 0.000 2.534 687 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.217 687 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.217 687 G C 0.337 175.036 174.900 -0.335 0.000 1.128 687 G CA 0.193 45.144 45.100 -0.247 0.000 0.784 687 G HN 0.313 nan 8.290 nan 0.000 0.542 688 F N -1.191 118.737 119.950 -0.037 0.000 2.397 688 F HA 0.514 5.041 4.527 -0.000 0.000 0.331 688 F C 0.028 175.820 175.800 -0.014 0.000 1.090 688 F CA -1.410 56.592 58.000 0.003 0.000 1.065 688 F CB 1.171 40.215 39.000 0.074 0.000 1.184 688 F HN -0.038 nan 8.300 nan 0.000 0.499 689 W N 4.137 125.627 121.300 0.316 0.000 2.316 689 W HA 0.439 5.099 4.660 -0.000 0.000 0.311 689 W C -0.716 175.916 176.519 0.189 0.000 1.217 689 W CA -0.703 56.764 57.345 0.204 0.000 1.199 689 W CB 1.051 30.618 29.460 0.178 0.000 1.202 689 W HN 0.115 nan 8.180 nan 0.000 0.528 690 L N 6.312 127.800 121.223 0.443 0.000 2.283 690 L HA 0.479 4.819 4.340 -0.000 0.000 0.281 690 L C -0.690 176.329 176.870 0.250 0.000 1.033 690 L CA -0.599 54.399 54.840 0.264 0.000 0.848 690 L CB 0.189 42.345 42.059 0.161 0.000 1.226 690 L HN 0.119 nan 8.230 nan 0.000 0.429 691 V N 3.752 123.813 119.914 0.246 0.000 2.567 691 V HA 0.599 4.719 4.120 -0.000 0.000 0.289 691 V C 0.484 176.648 176.094 0.117 0.000 1.049 691 V CA -0.365 62.105 62.300 0.284 0.000 0.969 691 V CB 1.531 33.643 31.823 0.482 0.000 0.995 691 V HN 0.798 nan 8.190 nan 0.000 0.471 692 T N 2.733 117.355 114.554 0.114 0.000 2.886 692 T HA 0.792 5.142 4.350 -0.000 0.000 0.292 692 T C 0.227 174.950 174.700 0.037 0.000 1.012 692 T CA 0.298 62.315 62.100 -0.139 0.000 0.982 692 T CB 1.767 70.606 68.868 -0.048 0.000 1.018 692 T HN 1.125 nan 8.240 nan 0.000 0.451 693 G N 2.434 111.165 108.800 -0.115 0.000 2.726 693 G HA2 0.648 4.608 3.960 -0.000 0.000 0.198 693 G HA3 0.648 4.608 3.960 -0.000 0.000 0.198 693 G C -1.366 173.792 174.900 0.431 0.000 1.195 693 G CA -0.627 44.716 45.100 0.404 0.000 0.951 693 G HN 0.636 nan 8.290 nan 0.000 0.532 694 R N -2.029 118.759 120.500 0.479 0.000 2.987 694 R HA 0.823 5.163 4.340 -0.000 0.000 0.248 694 R C -1.516 174.904 176.300 0.199 0.000 1.264 694 R CA -0.698 55.540 56.100 0.230 0.000 1.026 694 R CB 2.203 32.555 30.300 0.086 0.000 1.286 694 R HN 0.364 nan 8.270 nan 0.000 0.483 695 V N 1.342 121.253 119.914 -0.005 0.000 2.888 695 V HA 0.101 4.221 4.120 -0.000 0.000 0.309 695 V C 0.612 176.584 176.094 -0.202 0.000 1.114 695 V CA -0.619 61.617 62.300 -0.107 0.000 0.940 695 V CB 2.012 33.637 31.823 -0.329 0.000 1.021 695 V HN 0.712 nan 8.190 nan 0.000 0.426 696 L N 3.958 125.084 121.223 -0.161 0.000 2.010 696 L HA -0.218 4.122 4.340 -0.000 0.000 0.219 696 L C 2.033 178.743 176.870 -0.266 0.000 1.077 696 L CA 2.572 57.306 54.840 -0.176 0.000 0.773 696 L CB -0.282 41.709 42.059 -0.114 0.000 0.892 696 L HN 0.874 nan 8.230 nan 0.000 0.436 697 E N -1.248 118.739 120.200 -0.355 0.000 2.338 697 E HA -0.047 4.303 4.350 -0.000 0.000 0.197 697 E C -0.055 176.033 176.600 -0.854 0.000 1.007 697 E CA 0.753 56.821 56.400 -0.553 0.000 0.849 697 E CB -0.096 29.244 29.700 -0.600 0.000 0.774 697 E HN 0.544 nan 8.360 nan 0.000 0.506 698 H N -1.314 117.454 119.070 -0.502 0.000 2.637 698 H HA 0.150 4.705 4.556 -0.000 0.000 0.363 698 H C -1.130 173.937 175.328 -0.435 0.000 1.131 698 H CA -0.908 54.809 56.048 -0.552 0.000 1.183 698 H CB 0.903 30.096 29.762 -0.948 0.000 1.637 698 H HN 0.157 nan 8.280 nan 0.000 0.531 699 W N 5.657 126.693 121.300 -0.440 0.000 2.291 699 W HA 0.136 4.796 4.660 -0.000 0.000 0.312 699 W C -0.257 176.035 176.519 -0.378 0.000 1.061 699 W CA -0.134 56.894 57.345 -0.529 0.000 1.296 699 W CB 0.072 29.121 29.460 -0.685 0.000 1.223 699 W HN 0.845 nan 8.180 nan 0.000 0.421 700 H N 1.741 120.240 119.070 -0.953 0.000 1.452 700 H HA -0.300 4.256 4.556 -0.000 0.000 0.090 700 H C 1.817 176.418 175.328 -1.213 0.000 1.097 700 H CA 2.373 57.691 56.048 -1.216 0.000 1.901 700 H CB -1.645 27.691 29.762 -0.711 0.000 2.257 700 H HN 0.409 nan 8.280 nan 0.000 0.961 701 S N 1.367 116.828 115.700 -0.398 0.000 2.561 701 S HA 0.183 4.653 4.470 -0.000 0.000 0.225 701 S C 1.721 176.268 174.600 -0.089 0.000 0.977 701 S CA 1.520 59.616 58.200 -0.174 0.000 0.926 701 S CB -0.038 63.207 63.200 0.075 0.000 0.769 701 S HN 1.040 nan 8.310 nan 0.000 0.533 702 G N 1.455 110.206 108.800 -0.081 0.000 2.175 702 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.265 702 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.265 702 G C 0.913 175.807 174.900 -0.009 0.000 0.979 702 G CA 0.716 45.776 45.100 -0.066 0.000 0.663 702 G HN 0.655 nan 8.290 nan 0.000 0.533 703 S N -0.718 115.016 115.700 0.057 0.000 2.469 703 S HA 0.051 4.521 4.470 -0.000 0.000 0.238 703 S C 2.144 176.739 174.600 -0.009 0.000 0.998 703 S CA 1.718 59.944 58.200 0.044 0.000 0.957 703 S CB -0.130 63.179 63.200 0.182 0.000 0.764 703 S HN 0.612 nan 8.310 nan 0.000 0.514 704 M N 0.978 120.644 119.600 0.111 0.000 2.858 704 M HA 0.036 4.516 4.480 -0.000 0.000 0.255 704 M C 2.584 178.931 176.300 0.078 0.000 1.336 704 M CA 1.301 56.672 55.300 0.118 0.000 1.220 704 M CB -0.558 32.194 32.600 0.253 0.000 1.252 704 M HN 0.455 nan 8.290 nan 0.000 0.538 705 T N -0.278 114.350 114.554 0.122 0.000 2.904 705 T HA 0.030 4.380 4.350 -0.000 0.000 0.267 705 T C 1.613 176.384 174.700 0.117 0.000 1.059 705 T CA 0.777 62.937 62.100 0.101 0.000 1.137 705 T CB -0.598 68.312 68.868 0.070 0.000 0.879 705 T HN 0.269 nan 8.240 nan 0.000 0.467 706 L N 0.115 121.369 121.223 0.051 0.000 2.633 706 L HA 0.185 4.525 4.340 -0.000 0.000 0.235 706 L C 2.764 179.578 176.870 -0.094 0.000 1.163 706 L CA 0.636 55.485 54.840 0.015 0.000 0.859 706 L CB -0.256 41.743 42.059 -0.099 0.000 0.973 706 L HN 0.233 nan 8.230 nan 0.000 0.451 707 R N -1.649 118.787 120.500 -0.107 0.000 2.279 707 R HA 0.035 4.375 4.340 -0.000 0.000 0.195 707 R C 0.624 176.883 176.300 -0.068 0.000 0.905 707 R CA 0.201 56.204 56.100 -0.162 0.000 1.044 707 R CB 0.093 30.206 30.300 -0.310 0.000 1.056 707 R HN 0.318 nan 8.270 nan 0.000 0.535 708 W N 2.806 124.091 121.300 -0.026 0.000 2.388 708 W HA 0.253 4.913 4.660 -0.000 0.000 0.308 708 W C -2.129 174.349 176.519 -0.068 0.000 1.263 708 W CA -2.565 54.756 57.345 -0.041 0.000 1.286 708 W CB -0.111 29.318 29.460 -0.052 0.000 1.294 708 W HN -0.080 nan 8.180 nan 0.000 0.493 709 P HA -0.292 nan 4.420 nan 0.000 0.215 709 P C 1.694 178.942 177.300 -0.087 0.000 1.163 709 P CA 3.210 66.298 63.100 -0.020 0.000 0.894 709 P CB 0.219 31.906 31.700 -0.023 0.000 0.791 710 E N -0.177 119.852 120.200 -0.285 0.000 2.160 710 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 710 E C 2.155 178.580 176.600 -0.292 0.000 0.991 710 E CA 1.096 57.293 56.400 -0.338 0.000 0.810 710 E CB -1.281 28.061 29.700 -0.596 0.000 0.742 710 E HN 0.338 nan 8.360 nan 0.000 0.466 711 L N -0.209 120.824 121.223 -0.317 0.000 2.131 711 L HA -0.107 4.233 4.340 -0.000 0.000 0.206 711 L C 2.667 179.467 176.870 -0.116 0.000 1.087 711 L CA 1.004 55.684 54.840 -0.268 0.000 0.767 711 L CB -0.552 41.335 42.059 -0.288 0.000 0.917 711 L HN 0.042 nan 8.230 nan 0.000 0.441 712 Y N 1.475 121.740 120.300 -0.058 0.000 2.089 712 Y HA -0.259 4.291 4.550 -0.000 0.000 0.282 712 Y C 2.556 178.487 175.900 0.050 0.000 1.139 712 Y CA 1.477 59.619 58.100 0.070 0.000 1.123 712 Y CB -0.314 38.158 38.460 0.020 0.000 0.980 712 Y HN -0.062 nan 8.280 nan 0.000 0.493 713 K N 0.109 120.366 120.400 -0.238 0.000 2.089 713 K HA -0.248 4.072 4.320 -0.000 0.000 0.210 713 K C 2.274 178.738 176.600 -0.227 0.000 1.048 713 K CA 1.528 57.642 56.287 -0.289 0.000 0.926 713 K CB -0.545 31.881 32.500 -0.124 0.000 0.714 713 K HN 0.455 nan 8.250 nan 0.000 0.448 714 A N 0.010 122.739 122.820 -0.152 0.000 2.019 714 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 714 A C 0.922 178.495 177.584 -0.019 0.000 1.164 714 A CA 0.994 52.973 52.037 -0.096 0.000 0.644 714 A CB -0.101 18.840 19.000 -0.097 0.000 0.805 714 A HN 0.394 nan 8.150 nan 0.000 0.449 715 F N -0.916 118.927 119.950 -0.177 0.000 3.015 715 F HA 0.217 4.744 4.527 -0.000 0.000 0.415 715 F C -2.102 173.706 175.800 0.014 0.000 1.185 715 F CA -1.304 56.662 58.000 -0.057 0.000 1.188 715 F CB 1.274 40.239 39.000 -0.058 0.000 2.558 715 F HN -0.013 nan 8.300 nan 0.000 0.587 716 P HA -0.070 nan 4.420 nan 0.000 0.215 716 P C 0.632 178.141 177.300 0.348 0.000 1.163 716 P CA 1.583 64.515 63.100 -0.280 0.000 0.894 716 P CB 0.541 31.928 31.700 -0.522 0.000 0.791 717 G N -1.782 107.259 108.800 0.402 0.000 2.642 717 G HA2 0.593 4.553 3.960 -0.000 0.000 0.293 717 G HA3 0.593 4.553 3.960 -0.000 0.000 0.293 717 G C -1.098 174.037 174.900 0.392 0.000 1.341 717 G CA -0.162 45.170 45.100 0.385 0.000 0.916 717 G HN 0.277 nan 8.290 nan 0.000 0.474 718 A N -0.893 121.858 122.820 -0.115 0.000 2.448 718 A HA 0.607 4.927 4.320 -0.000 0.000 0.239 718 A C 0.099 177.673 177.584 -0.016 0.000 1.080 718 A CA 0.206 52.088 52.037 -0.258 0.000 0.779 718 A CB 0.268 18.946 19.000 -0.537 0.000 1.026 718 A HN 1.599 nan 8.150 nan 0.000 0.499 719 V N -0.571 119.341 119.914 -0.003 0.000 3.087 719 V HA 0.436 4.556 4.120 -0.000 0.000 0.306 719 V C -0.356 175.624 176.094 -0.190 0.000 1.187 719 V CA -0.951 61.267 62.300 -0.136 0.000 0.999 719 V CB 1.169 32.824 31.823 -0.279 0.000 1.049 719 V HN 1.189 nan 8.190 nan 0.000 0.431 720 C N 3.824 122.998 119.300 -0.209 0.000 2.265 720 C HA 0.713 5.173 4.460 -0.000 0.000 0.332 720 C C -0.158 174.730 174.990 -0.171 0.000 1.248 720 C CA -0.461 58.479 59.018 -0.131 0.000 1.727 720 C CB -1.512 26.156 27.740 -0.120 0.000 2.348 720 C HN 0.612 nan 8.230 nan 0.000 0.519 721 F N 6.780 126.744 119.950 0.023 0.000 2.427 721 F HA 0.520 5.047 4.527 -0.000 0.000 0.352 721 F C 0.563 176.339 175.800 -0.040 0.000 1.100 721 F CA 0.159 58.163 58.000 0.006 0.000 1.191 721 F CB 0.777 39.782 39.000 0.009 0.000 1.128 721 F HN 0.519 nan 8.300 nan 0.000 0.533 722 M N 2.282 121.947 119.600 0.109 0.000 2.704 722 M HA 0.375 4.855 4.480 -0.000 0.000 0.284 722 M C -1.339 175.035 176.300 0.125 0.000 1.275 722 M CA -0.880 54.459 55.300 0.065 0.000 0.811 722 M CB 2.188 34.763 32.600 -0.042 0.000 1.741 722 M HN 0.691 nan 8.290 nan 0.000 0.458 723 H N 2.376 121.501 119.070 0.092 0.000 2.652 723 H HA 0.270 4.826 4.556 -0.000 0.000 0.349 723 H C -1.854 173.520 175.328 0.077 0.000 1.099 723 H CA -0.587 55.521 56.048 0.101 0.000 1.417 723 H CB 1.049 30.891 29.762 0.134 0.000 1.457 723 H HN 0.252 nan 8.280 nan 0.000 0.568 724 P HA -0.192 nan 4.420 nan 0.000 0.219 724 P C 0.853 178.237 177.300 0.141 0.000 1.146 724 P CA 1.347 64.433 63.100 -0.023 0.000 0.808 724 P CB 0.428 32.056 31.700 -0.120 0.000 0.779 725 E N -0.440 120.015 120.200 0.425 0.000 2.216 725 E HA -0.077 4.273 4.350 -0.000 0.000 0.192 725 E C 1.195 177.930 176.600 0.224 0.000 0.973 725 E CA 0.230 56.816 56.400 0.309 0.000 0.851 725 E CB -0.054 29.821 29.700 0.291 0.000 0.804 725 E HN 0.037 nan 8.360 nan 0.000 0.477 726 D N 0.252 120.822 120.400 0.283 0.000 2.351 726 D HA -0.089 4.551 4.640 -0.000 0.000 0.216 726 D C 1.280 177.708 176.300 0.214 0.000 0.968 726 D CA 0.727 54.877 54.000 0.249 0.000 0.899 726 D CB 0.180 41.213 40.800 0.388 0.000 0.907 726 D HN 0.206 nan 8.370 nan 0.000 0.514 727 A N 0.268 123.184 122.820 0.161 0.000 1.881 727 A HA 0.009 4.329 4.320 -0.000 0.000 0.210 727 A C 2.092 179.721 177.584 0.075 0.000 1.239 727 A CA 0.339 52.433 52.037 0.096 0.000 0.629 727 A CB -0.139 18.896 19.000 0.058 0.000 0.906 727 A HN 0.025 nan 8.150 nan 0.000 0.460 728 R N 0.896 121.441 120.500 0.074 0.000 2.133 728 R HA -0.218 4.122 4.340 -0.000 0.000 0.245 728 R C 2.608 178.938 176.300 0.050 0.000 1.137 728 R CA 2.150 58.282 56.100 0.053 0.000 0.947 728 R CB -0.783 29.550 30.300 0.056 0.000 0.865 728 R HN 0.686 nan 8.270 nan 0.000 0.437 729 S N 1.067 116.804 115.700 0.061 0.000 2.359 729 S HA -0.223 4.247 4.470 -0.000 0.000 0.223 729 S C 1.898 176.524 174.600 0.043 0.000 1.039 729 S CA 1.448 59.677 58.200 0.048 0.000 1.042 729 S CB -0.272 62.958 63.200 0.051 0.000 0.915 729 S HN 0.274 nan 8.310 nan 0.000 0.439 730 R N 1.168 121.704 120.500 0.060 0.000 2.328 730 R HA 0.283 4.623 4.340 -0.000 0.000 0.200 730 R C 1.458 177.778 176.300 0.033 0.000 0.983 730 R CA 0.532 56.663 56.100 0.051 0.000 1.062 730 R CB -0.587 29.762 30.300 0.080 0.000 0.956 730 R HN 0.714 nan 8.270 nan 0.000 0.479 731 G N 0.256 109.074 108.800 0.029 0.000 2.176 731 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.252 731 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.252 731 G C -0.382 174.525 174.900 0.013 0.000 1.024 731 G CA -0.233 44.878 45.100 0.018 0.000 0.755 731 G HN 0.049 nan 8.290 nan 0.000 0.507 732 L N 0.229 121.463 121.223 0.018 0.000 2.334 732 L HA 0.581 4.921 4.340 -0.000 0.000 0.275 732 L C 0.571 177.443 176.870 0.004 0.000 1.036 732 L CA -1.028 53.817 54.840 0.007 0.000 0.807 732 L CB 1.262 43.326 42.059 0.008 0.000 1.231 732 L HN 0.405 nan 8.230 nan 0.000 0.438 733 N N 0.852 119.547 118.700 -0.009 0.000 2.890 733 N HA 0.523 5.263 4.740 -0.000 0.000 0.317 733 N C -0.743 174.751 175.510 -0.028 0.000 1.355 733 N CA -1.077 51.965 53.050 -0.013 0.000 0.803 733 N CB 1.382 39.859 38.487 -0.016 0.000 1.465 733 N HN 0.379 nan 8.380 nan 0.000 0.591 734 R N 0.150 120.629 120.500 -0.035 0.000 2.401 734 R HA 0.241 4.581 4.340 -0.000 0.000 0.299 734 R C 0.440 176.704 176.300 -0.060 0.000 1.064 734 R CA 1.006 57.074 56.100 -0.054 0.000 1.000 734 R CB -0.229 30.038 30.300 -0.055 0.000 0.973 734 R HN 0.909 nan 8.270 nan 0.000 0.438 735 G N 2.298 111.053 108.800 -0.076 0.000 2.213 735 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.226 735 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.226 735 G C -0.124 174.739 174.900 -0.061 0.000 0.992 735 G CA 0.090 45.146 45.100 -0.073 0.000 0.632 735 G HN 0.635 nan 8.290 nan 0.000 0.511 736 S N 0.621 116.289 115.700 -0.053 0.000 2.563 736 S HA 0.324 4.794 4.470 -0.000 0.000 0.284 736 S C 0.341 174.910 174.600 -0.051 0.000 1.331 736 S CA 0.075 58.248 58.200 -0.044 0.000 1.047 736 S CB 1.471 64.650 63.200 -0.035 0.000 0.859 736 S HN 0.433 nan 8.310 nan 0.000 0.514 737 E N 2.161 122.335 120.200 -0.043 0.000 1.996 737 E HA 0.292 4.642 4.350 -0.000 0.000 0.280 737 E C -0.174 176.401 176.600 -0.042 0.000 1.092 737 E CA -0.516 55.858 56.400 -0.045 0.000 0.862 737 E CB 0.290 29.968 29.700 -0.036 0.000 1.066 737 E HN 0.496 nan 8.360 nan 0.000 0.396 738 V N 1.672 121.555 119.914 -0.052 0.000 2.973 738 V HA 0.572 4.692 4.120 -0.000 0.000 0.314 738 V C 0.002 176.069 176.094 -0.044 0.000 1.066 738 V CA -0.987 61.284 62.300 -0.049 0.000 1.021 738 V CB 1.706 33.490 31.823 -0.065 0.000 1.076 738 V HN 0.528 nan 8.190 nan 0.000 0.462 739 R N 1.209 121.689 120.500 -0.033 0.000 2.320 739 R HA 0.628 4.968 4.340 -0.000 0.000 0.319 739 R C -1.331 174.960 176.300 -0.015 0.000 0.969 739 R CA -0.520 55.567 56.100 -0.023 0.000 0.857 739 R CB 1.795 32.088 30.300 -0.011 0.000 1.160 739 R HN 0.736 nan 8.270 nan 0.000 0.491 740 V N 6.672 126.573 119.914 -0.022 0.000 2.389 740 V HA 0.267 4.387 4.120 -0.000 0.000 0.264 740 V C 0.290 176.404 176.094 0.032 0.000 1.049 740 V CA 0.000 62.297 62.300 -0.006 0.000 0.932 740 V CB 0.669 32.474 31.823 -0.030 0.000 1.011 740 V HN 0.606 nan 8.190 nan 0.000 0.475 741 I N 3.967 124.588 120.570 0.084 0.000 2.530 741 I HA 0.629 4.799 4.170 -0.000 0.000 0.297 741 I C 0.205 176.470 176.117 0.247 0.000 1.011 741 I CA -0.068 61.312 61.300 0.134 0.000 1.107 741 I CB 2.180 40.255 38.000 0.125 0.000 1.285 741 I HN 0.522 nan 8.210 nan 0.000 0.436 742 S N 2.527 118.341 115.700 0.190 0.000 2.732 742 S HA 0.449 4.919 4.470 -0.000 0.000 0.293 742 S C 0.653 175.267 174.600 0.024 0.000 1.159 742 S CA -0.810 57.428 58.200 0.063 0.000 0.847 742 S CB 2.070 65.241 63.200 -0.047 0.000 1.169 742 S HN 0.561 nan 8.310 nan 0.000 0.501 743 R N 0.413 120.760 120.500 -0.255 0.000 2.285 743 R HA 0.080 4.420 4.340 -0.000 0.000 0.213 743 R C 1.363 177.637 176.300 -0.043 0.000 1.068 743 R CA 0.893 56.913 56.100 -0.133 0.000 1.004 743 R CB -0.040 30.110 30.300 -0.250 0.000 0.873 743 R HN 0.387 nan 8.270 nan 0.000 0.467 744 R N -0.455 120.016 120.500 -0.048 0.000 2.250 744 R HA 0.196 4.536 4.340 -0.000 0.000 0.194 744 R C 0.774 177.070 176.300 -0.007 0.000 0.927 744 R CA 0.530 56.616 56.100 -0.024 0.000 1.052 744 R CB 1.139 31.416 30.300 -0.039 0.000 1.055 744 R HN 0.172 nan 8.270 nan 0.000 0.537 745 G N 0.003 108.805 108.800 0.003 0.000 2.441 745 G HA2 0.352 4.311 3.960 -0.000 0.000 0.294 745 G HA3 0.352 4.311 3.960 -0.000 0.000 0.294 745 G C -1.811 173.099 174.900 0.017 0.000 1.393 745 G CA -0.747 44.356 45.100 0.005 0.000 0.796 745 G HN 0.015 nan 8.290 nan 0.000 0.494 746 E N -1.039 119.162 120.200 0.002 0.000 2.367 746 E HA 0.720 5.070 4.350 -0.000 0.000 0.273 746 E C -0.883 175.705 176.600 -0.020 0.000 0.903 746 E CA -0.723 55.678 56.400 0.002 0.000 0.764 746 E CB 2.990 32.693 29.700 0.005 0.000 1.252 746 E HN 0.445 nan 8.360 nan 0.000 0.446 747 I N 0.577 121.131 120.570 -0.025 0.000 3.074 747 I HA 0.479 4.649 4.170 -0.000 0.000 0.310 747 I C -0.713 175.379 176.117 -0.042 0.000 1.153 747 I CA -1.059 60.215 61.300 -0.042 0.000 0.993 747 I CB 2.261 40.227 38.000 -0.056 0.000 1.237 747 I HN 0.223 nan 8.210 nan 0.000 0.443 748 R N 2.142 122.612 120.500 -0.050 0.000 2.388 748 R HA 0.521 4.861 4.340 -0.000 0.000 0.314 748 R C -0.952 175.310 176.300 -0.063 0.000 0.959 748 R CA -0.490 55.580 56.100 -0.050 0.000 0.851 748 R CB 2.048 32.322 30.300 -0.042 0.000 1.168 748 R HN 0.782 nan 8.270 nan 0.000 0.472 749 T N -0.333 114.177 114.554 -0.073 0.000 2.907 749 T HA 0.562 4.912 4.350 -0.000 0.000 0.290 749 T C 0.092 174.740 174.700 -0.087 0.000 1.066 749 T CA -1.096 60.952 62.100 -0.088 0.000 1.012 749 T CB 2.136 70.941 68.868 -0.105 0.000 1.184 749 T HN 0.356 nan 8.240 nan 0.000 0.522 750 R N 0.135 120.577 120.500 -0.097 0.000 2.598 750 R HA 0.579 4.919 4.340 -0.000 0.000 0.279 750 R C -0.686 175.535 176.300 -0.132 0.000 0.984 750 R CA -1.021 55.019 56.100 -0.099 0.000 0.999 750 R CB 0.984 31.230 30.300 -0.091 0.000 1.114 750 R HN 0.365 nan 8.270 nan 0.000 0.493 751 L N 1.449 122.600 121.223 -0.120 0.000 2.439 751 L HA 0.157 4.497 4.340 -0.000 0.000 0.269 751 L C 0.117 176.886 176.870 -0.169 0.000 1.179 751 L CA 0.799 55.558 54.840 -0.134 0.000 0.828 751 L CB 0.344 42.347 42.059 -0.093 0.000 1.106 751 L HN 0.609 nan 8.230 nan 0.000 0.467 752 E N 1.047 121.122 120.200 -0.209 0.000 2.317 752 E HA 0.245 4.595 4.350 -0.000 0.000 0.270 752 E C -1.388 175.130 176.600 -0.135 0.000 0.899 752 E CA -0.251 56.012 56.400 -0.228 0.000 0.814 752 E CB 1.490 30.944 29.700 -0.411 0.000 1.296 752 E HN 0.668 nan 8.360 nan 0.000 0.404 753 T N 1.706 116.221 114.554 -0.064 0.000 2.912 753 T HA 0.479 4.829 4.350 -0.000 0.000 0.288 753 T C 0.337 175.033 174.700 -0.006 0.000 1.030 753 T CA -0.196 61.898 62.100 -0.010 0.000 1.020 753 T CB 1.118 69.974 68.868 -0.020 0.000 1.056 753 T HN 0.714 nan 8.240 nan 0.000 0.480 754 R N 0.545 121.055 120.500 0.018 0.000 3.854 754 R HA -0.118 4.222 4.340 -0.000 0.000 0.352 754 R C 0.702 177.034 176.300 0.053 0.000 1.156 754 R CA 0.582 56.691 56.100 0.016 0.000 0.917 754 R CB -2.097 28.196 30.300 -0.011 0.000 1.471 754 R HN 0.972 nan 8.270 nan 0.000 0.521 755 G N 0.246 109.132 108.800 0.144 0.000 2.543 755 G HA2 0.294 4.254 3.960 -0.000 0.000 0.267 755 G HA3 0.294 4.254 3.960 -0.000 0.000 0.267 755 G C 0.946 175.983 174.900 0.229 0.000 1.406 755 G CA -0.040 45.206 45.100 0.244 0.000 1.048 755 G HN 0.277 nan 8.290 nan 0.000 0.548 756 R N -0.756 119.901 120.500 0.263 0.000 2.075 756 R HA 0.006 4.346 4.340 -0.000 0.000 0.232 756 R C -0.161 176.122 176.300 -0.029 0.000 1.126 756 R CA 0.809 56.961 56.100 0.087 0.000 0.963 756 R CB -0.525 29.822 30.300 0.078 0.000 0.858 756 R HN 0.249 nan 8.270 nan 0.000 0.435 757 N N 2.179 120.721 118.700 -0.264 0.000 2.406 757 N HA 0.098 4.838 4.740 -0.000 0.000 0.251 757 N C -0.898 174.533 175.510 -0.131 0.000 1.069 757 N CA -0.047 52.781 53.050 -0.371 0.000 0.947 757 N CB 1.253 39.035 38.487 -1.176 0.000 1.111 757 N HN 0.177 nan 8.380 nan 0.000 0.497 758 R N 2.254 122.749 120.500 -0.008 0.000 2.296 758 R HA 0.280 4.620 4.340 -0.000 0.000 0.327 758 R C 0.211 176.547 176.300 0.061 0.000 1.137 758 R CA -0.555 55.559 56.100 0.024 0.000 1.020 758 R CB 0.355 30.666 30.300 0.018 0.000 1.110 758 R HN 0.307 nan 8.270 nan 0.000 0.499 759 M N 3.434 123.074 119.600 0.067 0.000 2.248 759 M HA 0.208 4.688 4.480 -0.000 0.000 0.337 759 M C -2.005 174.448 176.300 0.256 0.000 1.121 759 M CA -2.847 52.536 55.300 0.138 0.000 1.155 759 M CB -0.271 32.412 32.600 0.139 0.000 1.514 759 M HN 0.237 nan 8.290 nan 0.000 0.452 760 P HA 0.368 nan 4.420 nan 0.000 0.282 760 P C -0.695 176.744 177.300 0.230 0.000 1.259 760 P CA -0.711 62.528 63.100 0.233 0.000 0.826 760 P CB 0.606 32.389 31.700 0.139 0.000 1.064 761 R N 1.055 121.594 120.500 0.065 0.000 2.538 761 R HA 0.306 4.646 4.340 -0.000 0.000 0.282 761 R C 1.159 177.541 176.300 0.136 0.000 1.009 761 R CA 1.089 57.176 56.100 -0.021 0.000 1.063 761 R CB -0.875 29.300 30.300 -0.209 0.000 0.945 761 R HN 0.941 nan 8.270 nan 0.000 0.414 762 G N 1.241 110.191 108.800 0.250 0.000 2.175 762 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.244 762 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.244 762 G C -0.090 175.147 174.900 0.561 0.000 0.982 762 G CA -0.093 45.152 45.100 0.243 0.000 0.641 762 G HN 0.451 nan 8.290 nan 0.000 0.527 763 V N 0.547 120.781 119.914 0.534 0.000 2.540 763 V HA 0.765 4.885 4.120 -0.000 0.000 0.302 763 V C 0.016 176.306 176.094 0.327 0.000 1.035 763 V CA -0.842 61.748 62.300 0.483 0.000 0.873 763 V CB 1.999 34.029 31.823 0.346 0.000 0.992 763 V HN 0.254 nan 8.190 nan 0.000 0.428 764 V N 4.824 124.894 119.914 0.260 0.000 2.680 764 V HA 0.583 4.703 4.120 -0.000 0.000 0.309 764 V C -1.136 175.050 176.094 0.154 0.000 1.052 764 V CA -0.648 61.713 62.300 0.102 0.000 0.908 764 V CB 2.093 33.856 31.823 -0.100 0.000 1.001 764 V HN 0.744 nan 8.190 nan 0.000 0.431 765 F N 5.761 125.686 119.950 -0.042 0.000 2.518 765 F HA 0.781 5.308 4.527 -0.000 0.000 0.323 765 F C -0.586 175.293 175.800 0.132 0.000 1.129 765 F CA -0.625 57.337 58.000 -0.064 0.000 0.920 765 F CB 1.820 40.518 39.000 -0.503 0.000 1.160 765 F HN 0.341 nan 8.300 nan 0.000 0.440 766 V N 4.873 124.455 119.914 -0.555 0.000 2.577 766 V HA 0.711 4.831 4.120 -0.000 0.000 0.303 766 V C -2.867 172.882 176.094 -0.575 0.000 1.042 766 V CA -2.197 59.893 62.300 -0.350 0.000 0.872 766 V CB 1.449 33.166 31.823 -0.176 0.000 0.998 766 V HN 0.627 nan 8.190 nan 0.000 0.423 767 P HA 0.201 nan 4.420 nan 0.000 0.277 767 P C 0.018 177.212 177.300 -0.177 0.000 1.240 767 P CA -0.225 62.788 63.100 -0.146 0.000 0.798 767 P CB 1.020 32.811 31.700 0.152 0.000 0.979 768 W N 2.808 123.955 121.300 -0.255 0.000 3.239 768 W HA 0.098 4.758 4.660 -0.000 0.000 0.348 768 W C 1.047 177.419 176.519 -0.246 0.000 1.183 768 W CA -0.404 56.775 57.345 -0.277 0.000 1.819 768 W CB -1.749 27.571 29.460 -0.233 0.000 1.091 768 W HN 0.249 nan 8.180 nan 0.000 0.629 769 F N 1.589 121.210 119.950 -0.549 0.000 2.333 769 F HA 0.016 4.543 4.527 -0.000 0.000 0.300 769 F C 0.489 176.093 175.800 -0.327 0.000 1.083 769 F CA 0.748 58.405 58.000 -0.571 0.000 1.395 769 F CB -0.765 37.883 39.000 -0.588 0.000 1.056 769 F HN -0.287 nan 8.300 nan 0.000 0.529 770 D N 1.282 121.310 120.400 -0.619 0.000 2.339 770 D HA 0.317 4.957 4.640 -0.000 0.000 0.241 770 D C 1.124 177.327 176.300 -0.162 0.000 1.183 770 D CA 0.302 54.099 54.000 -0.337 0.000 0.859 770 D CB 1.690 42.191 40.800 -0.500 0.000 1.067 770 D HN 0.214 nan 8.370 nan 0.000 0.484 771 A N 3.042 125.817 122.820 -0.076 0.000 2.121 771 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 771 A C 2.107 179.658 177.584 -0.055 0.000 1.154 771 A CA 1.517 53.528 52.037 -0.042 0.000 0.679 771 A CB -0.278 18.712 19.000 -0.017 0.000 0.795 771 A HN 0.581 nan 8.150 nan 0.000 0.458 772 S N -0.460 115.201 115.700 -0.064 0.000 2.406 772 S HA -0.104 4.366 4.470 -0.000 0.000 0.228 772 S C 1.021 175.576 174.600 -0.075 0.000 1.020 772 S CA 0.847 59.012 58.200 -0.058 0.000 0.965 772 S CB -0.265 62.908 63.200 -0.045 0.000 0.798 772 S HN 0.632 nan 8.310 nan 0.000 0.488 773 Q N 1.496 121.234 119.800 -0.104 0.000 2.834 773 Q HA 0.394 4.734 4.340 -0.000 0.000 0.271 773 Q C -1.131 174.810 176.000 -0.098 0.000 1.196 773 Q CA -0.199 55.537 55.803 -0.112 0.000 1.063 773 Q CB 0.786 29.432 28.738 -0.152 0.000 1.265 773 Q HN 0.503 nan 8.270 nan 0.000 0.526 774 L N 2.766 123.946 121.223 -0.072 0.000 2.505 774 L HA 0.062 4.402 4.340 -0.000 0.000 0.279 774 L C 1.148 177.989 176.870 -0.049 0.000 1.211 774 L CA 0.046 54.856 54.840 -0.050 0.000 1.059 774 L CB -0.352 41.671 42.059 -0.060 0.000 1.340 774 L HN 0.588 nan 8.230 nan 0.000 0.447 775 I N 0.847 121.392 120.570 -0.042 0.000 2.493 775 I HA -0.207 3.963 4.170 -0.000 0.000 0.254 775 I C 1.860 177.953 176.117 -0.039 0.000 1.160 775 I CA 0.707 61.980 61.300 -0.046 0.000 1.445 775 I CB -0.300 37.669 38.000 -0.053 0.000 1.086 775 I HN 0.620 nan 8.210 nan 0.000 0.433 776 N N 1.311 119.985 118.700 -0.044 0.000 2.609 776 N HA -0.104 4.636 4.740 -0.000 0.000 0.190 776 N C 1.467 176.953 175.510 -0.039 0.000 1.157 776 N CA 0.755 53.778 53.050 -0.044 0.000 0.918 776 N CB 0.013 38.454 38.487 -0.077 0.000 0.978 776 N HN 0.495 nan 8.380 nan 0.000 0.448 777 K N -0.173 120.201 120.400 -0.043 0.000 2.186 777 K HA 0.063 4.383 4.320 -0.000 0.000 0.202 777 K C 1.688 178.268 176.600 -0.034 0.000 1.052 777 K CA 0.577 56.838 56.287 -0.044 0.000 0.965 777 K CB 0.314 32.782 32.500 -0.053 0.000 0.746 777 K HN -0.009 nan 8.250 nan 0.000 0.457 778 V N 1.736 121.633 119.914 -0.028 0.000 2.719 778 V HA -0.087 4.033 4.120 -0.000 0.000 0.252 778 V C 0.943 177.021 176.094 -0.026 0.000 1.065 778 V CA 0.988 63.276 62.300 -0.020 0.000 1.086 778 V CB -0.563 31.254 31.823 -0.009 0.000 0.700 778 V HN 0.294 nan 8.190 nan 0.000 0.467 779 T N 2.161 116.701 114.554 -0.023 0.000 2.926 779 T HA 0.376 4.726 4.350 -0.000 0.000 0.307 779 T C -0.440 174.218 174.700 -0.069 0.000 1.059 779 T CA -0.208 61.876 62.100 -0.027 0.000 1.122 779 T CB 1.377 70.254 68.868 0.015 0.000 0.972 779 T HN 0.098 nan 8.240 nan 0.000 0.545 780 L N 2.261 123.427 121.223 -0.094 0.000 2.292 780 L HA 0.305 4.645 4.340 -0.000 0.000 0.284 780 L C 1.174 177.940 176.870 -0.174 0.000 1.065 780 L CA -0.212 54.555 54.840 -0.122 0.000 0.806 780 L CB 0.776 42.763 42.059 -0.119 0.000 1.175 780 L HN 0.617 nan 8.230 nan 0.000 0.431 781 D N 3.407 123.718 120.400 -0.148 0.000 2.417 781 D HA -0.099 4.541 4.640 -0.000 0.000 0.225 781 D C 0.371 176.582 176.300 -0.149 0.000 0.983 781 D CA 0.695 54.609 54.000 -0.143 0.000 0.949 781 D CB 0.155 40.904 40.800 -0.085 0.000 0.879 781 D HN 0.692 nan 8.370 nan 0.000 0.520 782 A N 0.154 122.878 122.820 -0.160 0.000 2.462 782 A HA 0.319 4.639 4.320 -0.000 0.000 0.243 782 A C 0.193 177.715 177.584 -0.103 0.000 1.076 782 A CA -0.047 51.927 52.037 -0.106 0.000 0.773 782 A CB 0.260 19.220 19.000 -0.067 0.000 1.010 782 A HN 0.350 nan 8.150 nan 0.000 0.493 783 N N 0.236 118.904 118.700 -0.053 0.000 2.577 783 N HA 0.370 5.110 4.740 -0.000 0.000 0.285 783 N C -1.510 173.962 175.510 -0.062 0.000 1.309 783 N CA -0.929 52.087 53.050 -0.057 0.000 0.798 783 N CB 1.220 39.676 38.487 -0.052 0.000 1.463 783 N HN 0.715 nan 8.380 nan 0.000 0.518 784 D N 1.505 121.862 120.400 -0.071 0.000 2.336 784 D HA 0.085 4.725 4.640 -0.000 0.000 0.249 784 D C -1.556 174.658 176.300 -0.144 0.000 1.213 784 D CA -1.928 51.990 54.000 -0.137 0.000 0.870 784 D CB 0.931 41.662 40.800 -0.115 0.000 1.076 784 D HN 0.315 nan 8.370 nan 0.000 0.483 785 P HA -0.164 nan 4.420 nan 0.000 0.221 785 P C 1.528 178.766 177.300 -0.104 0.000 1.141 785 P CA 0.936 63.955 63.100 -0.136 0.000 0.794 785 P CB 0.397 32.002 31.700 -0.159 0.000 0.764 786 I N -0.025 120.484 120.570 -0.101 0.000 2.385 786 I HA -0.111 4.059 4.170 -0.000 0.000 0.244 786 I C 2.636 178.716 176.117 -0.061 0.000 1.089 786 I CA 1.657 62.926 61.300 -0.051 0.000 1.410 786 I CB -0.747 37.253 38.000 -0.000 0.000 1.117 786 I HN 0.033 nan 8.210 nan 0.000 0.429 787 S N -0.072 115.597 115.700 -0.053 0.000 2.458 787 S HA 0.012 4.482 4.470 -0.000 0.000 0.223 787 S C 1.159 175.731 174.600 -0.047 0.000 1.019 787 S CA -0.079 58.104 58.200 -0.027 0.000 0.937 787 S CB 0.181 63.394 63.200 0.022 0.000 0.788 787 S HN 0.314 nan 8.310 nan 0.000 0.511 788 R N 0.648 121.089 120.500 -0.098 0.000 3.774 788 R HA -0.124 4.216 4.340 -0.000 0.000 0.320 788 R C -0.251 176.028 176.300 -0.035 0.000 1.175 788 R CA 0.966 56.959 56.100 -0.180 0.000 0.849 788 R CB -2.649 27.348 30.300 -0.506 0.000 1.365 788 R HN 0.870 nan 8.270 nan 0.000 0.502 789 Q N 1.189 121.012 119.800 0.039 0.000 2.337 789 Q HA 0.230 4.570 4.340 -0.000 0.000 0.255 789 Q C 0.209 176.246 176.000 0.061 0.000 0.997 789 Q CA 0.149 56.031 55.803 0.132 0.000 0.925 789 Q CB 0.997 29.837 28.738 0.171 0.000 1.212 789 Q HN 0.203 nan 8.270 nan 0.000 0.436 790 T N 2.017 116.589 114.554 0.030 0.000 2.906 790 T HA -0.056 4.294 4.350 -0.000 0.000 0.320 790 T C -0.242 174.244 174.700 -0.357 0.000 1.088 790 T CA -0.286 61.664 62.100 -0.249 0.000 1.120 790 T CB 0.673 69.246 68.868 -0.492 0.000 1.000 790 T HN 0.705 nan 8.240 nan 0.000 0.550 791 D N 2.695 122.867 120.400 -0.380 0.000 2.427 791 D HA 0.229 4.869 4.640 -0.000 0.000 0.226 791 D C -0.155 175.968 176.300 -0.295 0.000 1.076 791 D CA -0.711 53.167 54.000 -0.202 0.000 0.849 791 D CB 0.198 40.962 40.800 -0.060 0.000 1.052 791 D HN 0.573 nan 8.370 nan 0.000 0.515 792 F N 2.060 121.995 119.950 -0.025 0.000 2.695 792 F HA 0.191 4.718 4.527 -0.000 0.000 0.303 792 F C 2.026 177.827 175.800 0.002 0.000 1.091 792 F CA -0.321 57.642 58.000 -0.061 0.000 1.300 792 F CB 0.460 39.365 39.000 -0.158 0.000 1.071 792 F HN 0.141 nan 8.300 nan 0.000 0.578 793 K N 1.554 122.076 120.400 0.203 0.000 2.426 793 K HA 0.084 4.404 4.320 -0.000 0.000 0.193 793 K C 0.196 176.884 176.600 0.146 0.000 1.028 793 K CA 0.398 56.794 56.287 0.181 0.000 1.047 793 K CB -0.129 32.470 32.500 0.165 0.000 0.821 793 K HN 0.343 nan 8.250 nan 0.000 0.513 794 K N -0.250 120.239 120.400 0.148 0.000 2.572 794 K HA 0.396 4.716 4.320 -0.000 0.000 0.263 794 K C -0.798 175.986 176.600 0.305 0.000 0.932 794 K CA -0.841 55.610 56.287 0.274 0.000 0.838 794 K CB 1.310 33.908 32.500 0.164 0.000 1.366 794 K HN 0.068 nan 8.250 nan 0.000 0.425 795 C N -1.290 118.239 119.300 0.382 0.000 3.253 795 C HA 0.814 5.274 4.460 -0.000 0.000 0.342 795 C C -0.783 174.259 174.990 0.088 0.000 1.306 795 C CA -0.693 58.419 59.018 0.158 0.000 1.207 795 C CB 0.838 28.607 27.740 0.049 0.000 1.479 795 C HN 1.127 nan 8.230 nan 0.000 0.469 796 A N 0.964 123.738 122.820 -0.077 0.000 2.331 796 A HA 0.798 5.118 4.320 -0.000 0.000 0.283 796 A C -0.435 177.173 177.584 0.039 0.000 1.142 796 A CA -0.338 51.648 52.037 -0.087 0.000 0.812 796 A CB 0.465 19.378 19.000 -0.146 0.000 1.074 796 A HN 1.749 nan 8.150 nan 0.000 0.497 797 V N 2.293 122.329 119.914 0.203 0.000 2.971 797 V HA 0.456 4.576 4.120 -0.000 0.000 0.309 797 V C -0.187 176.139 176.094 0.386 0.000 1.130 797 V CA -0.811 61.671 62.300 0.303 0.000 0.964 797 V CB 2.264 34.202 31.823 0.191 0.000 1.029 797 V HN 0.982 nan 8.190 nan 0.000 0.427 798 K N 2.733 123.346 120.400 0.354 0.000 2.203 798 K HA 0.783 5.102 4.320 -0.000 0.000 0.251 798 K C -1.577 175.114 176.600 0.152 0.000 0.944 798 K CA -0.713 55.697 56.287 0.204 0.000 0.829 798 K CB 1.788 34.243 32.500 -0.075 0.000 1.125 798 K HN 0.589 nan 8.250 nan 0.000 0.430 799 I N 2.684 123.351 120.570 0.162 0.000 2.447 799 I HA 0.315 4.485 4.170 -0.000 0.000 0.287 799 I C -0.388 175.758 176.117 0.048 0.000 1.023 799 I CA -0.590 60.745 61.300 0.058 0.000 1.083 799 I CB 1.843 39.810 38.000 -0.056 0.000 1.245 799 I HN 0.478 nan 8.210 nan 0.000 0.434 800 E N 4.239 124.446 120.200 0.012 0.000 2.392 800 E HA 0.914 5.264 4.350 -0.000 0.000 0.269 800 E C -1.198 175.397 176.600 -0.007 0.000 0.924 800 E CA -0.825 55.577 56.400 0.004 0.000 0.784 800 E CB 3.168 32.865 29.700 -0.005 0.000 1.292 800 E HN 0.719 nan 8.360 nan 0.000 0.447 801 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