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 2jip_1_A DATA FIRST_RESID 4 DATA SEQUENCE RPEKWVKGVC RYCGTGCGVL VGVKDGKAVA IQGNPNNHNA GLLCLKGSLL DATA SEQUENCE IPVLNSKERV TQPLVRRHKG GKLEPVSWDE ALDLMASRFR SSIDMYGPNS DATA SEQUENCE VAWYGSGQCL TEESYVANKI FKGGFGTNNV DGNPRLCMAS AVGGYVTSFG DATA SEQUENCE KDEPMGTYAD IDQATCFFII GSNTSEAHPV LFRRIARRKQ VEPGVKIIVA DATA SEQUENCE DPRRTNTSRI ADMHVAFRPG TDLAFMHSMA WVIINEELDN PRFWQRYVNF DATA SEQUENCE MDAEGKPSDF EGYKAFLENY RPEKVAEICR VPVEQIYGAA RAFAESAATM DATA SEQUENCE SLWCMGINQR VQGVFANNLI HNLHLITGQI CRPGATSFSL TGQPNACGGV DATA SEQUENCE RDGGALSHLL PAGRAIPNAK HRAEMEKLWG LPEGRIAPEP GYHTVALFEA DATA SEQUENCE LGRGDVKCMI ICETNPAHTL PNLNKVHKAM SHPESFIVCI EAFPDAVTLE DATA SEQUENCE YADLVLPPAF WCERDGVYGC GERRYSLTEK AVDPPGQCRP TVNTLVEFAR DATA SEQUENCE RAGVDPQLVN FRNAEDVWNE WRMVSKGTTY DFWGMTRERL RKESGLIWPC DATA SEQUENCE PSEDHPGTSL RYVRGQDPCV PADHPDRFFF YGKPDGRAVI WMRPAKGAAE DATA SEQUENCE EPDAEYPLYL TSMRVIDHWH TATMTGKVPE LQKANPIAFV EINEEDAART DATA SEQUENCE GIKHGDSVIV ETRRDAMELP ARVSDVCRPG LIAVPFFDPK KLVNKLFLDA DATA SEQUENCE TDPVSREPEY KICAARVRKA 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 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.239 176.300 -0.101 0.000 0.893 4 R CA 0.000 56.081 56.100 -0.031 0.000 0.921 4 R CB 0.000 30.293 30.300 -0.012 0.000 0.687 5 P HA 0.338 nan 4.420 nan 0.000 0.282 5 P C -0.223 176.900 177.300 -0.294 0.000 1.249 5 P CA -0.383 62.493 63.100 -0.373 0.000 0.806 5 P CB 1.172 32.356 31.700 -0.858 0.000 0.984 6 E N 0.161 120.198 120.200 -0.272 0.000 2.290 6 E HA 0.054 4.405 4.350 0.001 0.000 0.197 6 E C 0.336 176.826 176.600 -0.185 0.000 0.948 6 E CA 0.440 56.739 56.400 -0.169 0.000 0.895 6 E CB 0.318 29.947 29.700 -0.118 0.000 0.865 6 E HN 0.297 nan 8.360 nan 0.000 0.486 7 K N 0.166 120.390 120.400 -0.293 0.000 2.324 7 K HA 0.280 4.601 4.320 0.001 0.000 0.253 7 K C -1.928 174.444 176.600 -0.379 0.000 0.932 7 K CA -0.519 55.637 56.287 -0.217 0.000 0.799 7 K CB 1.050 33.461 32.500 -0.149 0.000 1.154 7 K HN -0.127 nan 8.250 nan 0.000 0.425 8 W N 4.046 125.321 121.300 -0.042 0.000 2.361 8 W HA 0.381 5.042 4.660 0.002 0.000 0.314 8 W C -0.935 175.546 176.519 -0.063 0.000 1.041 8 W CA -0.862 56.455 57.345 -0.046 0.000 1.241 8 W CB 1.700 31.139 29.460 -0.035 0.000 1.279 8 W HN 0.095 nan 8.180 nan 0.000 0.436 9 V N 4.157 124.146 119.914 0.125 0.000 2.350 9 V HA 0.224 4.345 4.120 0.001 0.000 0.276 9 V C 0.314 176.413 176.094 0.008 0.000 1.028 9 V CA -1.440 60.866 62.300 0.011 0.000 0.860 9 V CB 0.901 32.669 31.823 -0.092 0.000 0.990 9 V HN 0.391 nan 8.190 nan 0.000 0.453 10 K N 3.396 123.793 120.400 -0.005 0.000 2.322 10 K HA 0.577 4.898 4.320 0.001 0.000 0.283 10 K C 0.427 176.989 176.600 -0.064 0.000 1.042 10 K CA 0.391 56.668 56.287 -0.016 0.000 0.958 10 K CB 0.810 33.300 32.500 -0.016 0.000 0.984 10 K HN 0.938 nan 8.250 nan 0.000 0.473 11 G N 1.690 110.466 108.800 -0.040 0.000 2.793 11 G HA2 0.456 4.417 3.960 0.001 0.000 0.248 11 G HA3 0.456 4.417 3.960 0.001 0.000 0.248 11 G C -1.606 173.325 174.900 0.052 0.000 1.198 11 G CA -0.495 44.576 45.100 -0.049 0.000 0.865 11 G HN 0.451 nan 8.290 nan 0.000 0.534 12 V N -0.140 119.857 119.914 0.138 0.000 2.760 12 V HA 0.413 4.534 4.120 0.001 0.000 0.309 12 V C 0.222 176.506 176.094 0.316 0.000 1.077 12 V CA -0.887 61.542 62.300 0.214 0.000 0.910 12 V CB 1.415 33.395 31.823 0.261 0.000 1.008 12 V HN 1.061 nan 8.190 nan 0.000 0.424 13 C N 4.283 123.692 119.300 0.181 0.000 2.597 13 C HA 0.133 4.594 4.460 0.001 0.000 0.412 13 C C 2.059 176.955 174.990 -0.156 0.000 1.348 13 C CA 0.174 59.198 59.018 0.010 0.000 1.769 13 C CB 0.094 27.831 27.740 -0.006 0.000 2.641 13 C HN 1.021 nan 8.230 nan 0.000 0.612 14 R N 2.836 122.896 120.500 -0.735 0.000 2.280 14 R HA 0.084 4.425 4.340 0.001 0.000 0.207 14 R C 0.399 176.146 176.300 -0.920 0.000 1.043 14 R CA 1.603 57.121 56.100 -0.969 0.000 1.006 14 R CB -0.495 28.709 30.300 -1.827 0.000 0.885 14 R HN 0.918 nan 8.270 nan 0.000 0.467 15 Y N -1.399 118.500 120.300 -0.667 0.000 2.800 15 Y HA 0.160 4.710 4.550 0.002 0.000 0.176 15 Y C 1.527 177.030 175.900 -0.661 0.000 0.915 15 Y CA -0.091 57.344 58.100 -1.109 0.000 1.372 15 Y CB -0.797 37.089 38.460 -0.957 0.000 1.069 15 Y HN 0.053 nan 8.280 nan 0.000 0.446 16 C N 0.789 120.060 119.300 -0.047 0.000 2.633 16 C HA 0.505 4.966 4.460 0.001 0.000 0.345 16 C C 2.025 177.108 174.990 0.156 0.000 1.384 16 C CA -0.182 58.940 59.018 0.174 0.000 2.418 16 C CB 0.123 27.907 27.740 0.075 0.000 2.425 16 C HN 0.855 nan 8.230 nan 0.000 0.705 17 G N 0.272 109.213 108.800 0.234 0.000 2.776 17 G HA2 0.054 4.015 3.960 0.001 0.000 0.209 17 G HA3 0.054 4.015 3.960 0.001 0.000 0.209 17 G C 1.139 176.268 174.900 0.382 0.000 1.145 17 G CA 0.981 46.259 45.100 0.297 0.000 0.791 17 G HN 0.884 nan 8.290 nan 0.000 0.530 18 T N 0.687 115.454 114.554 0.355 0.000 2.833 18 T HA 0.147 4.497 4.350 0.001 0.000 0.269 18 T C 1.936 176.886 174.700 0.418 0.000 1.054 18 T CA 1.252 63.526 62.100 0.290 0.000 1.135 18 T CB -0.337 68.636 68.868 0.175 0.000 0.869 18 T HN 1.015 nan 8.240 nan 0.000 0.466 19 G N 1.011 110.005 108.800 0.323 0.000 2.298 19 G HA2 -0.268 3.693 3.960 0.001 0.000 0.287 19 G HA3 -0.268 3.693 3.960 0.001 0.000 0.287 19 G C 0.216 175.315 174.900 0.332 0.000 1.075 19 G CA -0.192 45.112 45.100 0.341 0.000 0.960 19 G HN 0.640 nan 8.290 nan 0.000 0.502 20 C N 0.509 119.901 119.300 0.153 0.000 2.634 20 C HA 0.535 4.996 4.460 0.001 0.000 0.418 20 C C 1.719 176.712 174.990 0.006 0.000 1.373 20 C CA 0.180 59.172 59.018 -0.043 0.000 1.756 20 C CB 0.013 27.734 27.740 -0.032 0.000 2.589 20 C HN 0.973 nan 8.230 nan 0.000 0.602 21 G N 2.269 111.034 108.800 -0.059 0.000 2.483 21 G HA2 0.476 4.437 3.960 0.001 0.000 0.248 21 G HA3 0.476 4.437 3.960 0.001 0.000 0.248 21 G C -0.725 174.182 174.900 0.011 0.000 1.248 21 G CA -0.074 45.026 45.100 0.001 0.000 0.838 21 G HN 0.696 nan 8.290 nan 0.000 0.566 22 V N 2.059 122.007 119.914 0.056 0.000 2.925 22 V HA 0.555 4.676 4.120 0.001 0.000 0.311 22 V C -0.492 175.651 176.094 0.081 0.000 1.104 22 V CA -0.695 61.663 62.300 0.096 0.000 0.954 22 V CB 2.176 34.125 31.823 0.209 0.000 1.022 22 V HN 0.637 nan 8.190 nan 0.000 0.427 23 L N 4.293 125.579 121.223 0.104 0.000 2.356 23 L HA 0.673 5.013 4.340 0.001 0.000 0.277 23 L C -0.942 176.158 176.870 0.384 0.000 0.996 23 L CA -0.877 54.071 54.840 0.180 0.000 0.822 23 L CB 2.070 44.161 42.059 0.055 0.000 1.256 23 L HN 0.294 nan 8.230 nan 0.000 0.413 24 V N 1.895 121.995 119.914 0.309 0.000 2.347 24 V HA 0.461 4.582 4.120 0.001 0.000 0.280 24 V C 0.629 176.725 176.094 0.003 0.000 1.021 24 V CA -0.494 61.906 62.300 0.167 0.000 0.847 24 V CB 1.539 33.317 31.823 -0.076 0.000 0.990 24 V HN 0.874 nan 8.190 nan 0.000 0.444 25 G N 4.065 112.672 108.800 -0.323 0.000 2.338 25 G HA2 0.514 4.474 3.960 0.001 0.000 0.295 25 G HA3 0.514 4.474 3.960 0.001 0.000 0.295 25 G C -0.356 174.234 174.900 -0.516 0.000 1.132 25 G CA -0.219 44.252 45.100 -1.049 0.000 0.922 25 G HN 0.920 nan 8.290 nan 0.000 0.427 26 V N 0.771 120.419 119.914 -0.443 0.000 2.459 26 V HA 0.757 4.878 4.120 0.001 0.000 0.295 26 V C -0.297 175.648 176.094 -0.248 0.000 1.029 26 V CA -1.551 60.589 62.300 -0.266 0.000 0.874 26 V CB 1.794 33.502 31.823 -0.192 0.000 0.985 26 V HN 0.528 nan 8.190 nan 0.000 0.438 27 K N 3.790 124.084 120.400 -0.177 0.000 2.231 27 K HA 0.332 4.653 4.320 0.001 0.000 0.255 27 K C -0.305 176.234 176.600 -0.102 0.000 1.108 27 K CA -0.056 56.149 56.287 -0.136 0.000 0.997 27 K CB -0.588 31.847 32.500 -0.107 0.000 1.549 27 K HN 0.869 nan 8.250 nan 0.000 0.419 28 D N 3.594 123.932 120.400 -0.103 0.000 7.454 28 D HA -0.185 4.456 4.640 0.001 0.000 0.105 28 D C 1.150 177.406 176.300 -0.073 0.000 1.062 28 D CA 2.420 56.369 54.000 -0.085 0.000 0.793 28 D CB -0.255 40.505 40.800 -0.066 0.000 1.574 28 D HN 0.864 nan 8.370 nan 0.000 0.900 29 G N 1.615 110.368 108.800 -0.077 0.000 2.268 29 G HA2 -0.281 3.680 3.960 0.001 0.000 0.240 29 G HA3 -0.281 3.680 3.960 0.001 0.000 0.240 29 G C 0.150 175.015 174.900 -0.058 0.000 1.010 29 G CA 0.300 45.362 45.100 -0.062 0.000 0.618 29 G HN 0.488 nan 8.290 nan 0.000 0.516 30 K N 0.824 121.185 120.400 -0.065 0.000 2.426 30 K HA 0.759 5.080 4.320 0.001 0.000 0.254 30 K C 0.131 176.686 176.600 -0.074 0.000 0.936 30 K CA 0.024 56.279 56.287 -0.053 0.000 0.801 30 K CB 1.774 34.252 32.500 -0.036 0.000 1.139 30 K HN 0.764 nan 8.250 nan 0.000 0.424 31 A N 2.211 124.996 122.820 -0.058 0.000 2.492 31 A HA 0.276 4.597 4.320 0.001 0.000 0.254 31 A C 1.074 178.632 177.584 -0.044 0.000 1.091 31 A CA -0.129 51.868 52.037 -0.067 0.000 0.768 31 A CB -0.061 18.926 19.000 -0.022 0.000 1.028 31 A HN 0.577 nan 8.150 nan 0.000 0.498 32 V N -0.780 119.083 119.914 -0.084 0.000 3.473 32 V HA 0.672 4.793 4.120 0.001 0.000 0.253 32 V C 0.603 176.684 176.094 -0.021 0.000 1.340 32 V CA 0.781 63.047 62.300 -0.057 0.000 1.103 32 V CB -0.875 30.895 31.823 -0.089 0.000 0.881 32 V HN 1.640 nan 8.190 nan 0.000 0.451 33 A N -0.150 122.649 122.820 -0.036 0.000 2.606 33 A HA 0.876 5.196 4.320 0.001 0.000 0.293 33 A C -1.562 176.156 177.584 0.223 0.000 1.082 33 A CA -0.479 51.612 52.037 0.090 0.000 0.685 33 A CB 2.249 21.330 19.000 0.136 0.000 1.284 33 A HN 0.486 nan 8.150 nan 0.000 0.408 34 I N 0.630 121.390 120.570 0.317 0.000 2.607 34 I HA 0.512 4.683 4.170 0.001 0.000 0.290 34 I C -0.783 175.485 176.117 0.251 0.000 1.129 34 I CA -0.328 61.181 61.300 0.347 0.000 1.042 34 I CB 1.959 40.115 38.000 0.260 0.000 1.242 34 I HN 0.951 nan 8.210 nan 0.000 0.421 35 Q N 5.685 125.586 119.800 0.167 0.000 2.528 35 Q HA 0.687 5.028 4.340 0.001 0.000 0.289 35 Q C -0.533 175.451 176.000 -0.027 0.000 1.091 35 Q CA -1.079 54.712 55.803 -0.021 0.000 0.797 35 Q CB 1.913 30.508 28.738 -0.238 0.000 1.466 35 Q HN 0.642 nan 8.270 nan 0.000 0.436 36 G N 0.444 109.211 108.800 -0.056 0.000 2.527 36 G HA2 0.090 4.051 3.960 0.001 0.000 0.248 36 G HA3 0.090 4.051 3.960 0.001 0.000 0.248 36 G C -0.662 174.182 174.900 -0.093 0.000 1.231 36 G CA -0.628 44.438 45.100 -0.056 0.000 0.838 36 G HN 0.736 nan 8.290 nan 0.000 0.570 37 N N 2.034 120.689 118.700 -0.076 0.000 2.405 37 N HA 0.169 4.910 4.740 0.001 0.000 0.260 37 N C -1.175 174.280 175.510 -0.091 0.000 1.152 37 N CA -1.685 51.316 53.050 -0.082 0.000 0.948 37 N CB 1.547 40.003 38.487 -0.052 0.000 1.111 37 N HN 0.133 nan 8.380 nan 0.000 0.485 38 P HA -0.098 nan 4.420 nan 0.000 0.222 38 P C 0.015 177.279 177.300 -0.061 0.000 1.147 38 P CA 1.140 64.189 63.100 -0.085 0.000 0.790 38 P CB 0.287 31.931 31.700 -0.095 0.000 0.780 39 N N -1.062 117.606 118.700 -0.053 0.000 2.280 39 N HA 0.023 4.764 4.740 0.001 0.000 0.192 39 N C 0.655 176.156 175.510 -0.015 0.000 1.109 39 N CA 0.122 53.154 53.050 -0.030 0.000 0.855 39 N CB -0.104 38.368 38.487 -0.025 0.000 0.974 39 N HN 0.160 nan 8.380 nan 0.000 0.482 40 N N 0.611 119.290 118.700 -0.036 0.000 2.447 40 N HA -0.003 4.738 4.740 0.001 0.000 0.271 40 N C 1.321 176.804 175.510 -0.046 0.000 1.226 40 N CA -0.194 52.837 53.050 -0.032 0.000 0.980 40 N CB 0.848 39.292 38.487 -0.072 0.000 1.206 40 N HN 0.187 nan 8.380 nan 0.000 0.558 41 H N 0.479 119.588 119.070 0.065 0.000 2.426 41 H HA -0.121 4.436 4.556 0.001 0.000 0.298 41 H C 1.143 176.493 175.328 0.036 0.000 1.107 41 H CA 2.194 58.287 56.048 0.074 0.000 1.298 41 H CB -0.326 29.534 29.762 0.164 0.000 1.377 41 H HN 0.561 nan 8.280 nan 0.000 0.519 42 N N 1.486 119.926 118.700 -0.434 0.000 2.550 42 N HA -0.094 4.647 4.740 0.001 0.000 0.186 42 N C 0.944 176.389 175.510 -0.107 0.000 1.110 42 N CA 0.971 53.885 53.050 -0.228 0.000 0.912 42 N CB -0.271 38.039 38.487 -0.295 0.000 0.968 42 N HN 0.738 nan 8.380 nan 0.000 0.448 43 A N -0.280 122.486 122.820 -0.089 0.000 2.783 43 A HA -0.035 4.286 4.320 0.001 0.000 0.292 43 A C 1.372 178.914 177.584 -0.071 0.000 1.495 43 A CA 1.558 53.559 52.037 -0.060 0.000 0.787 43 A CB -2.097 16.881 19.000 -0.036 0.000 1.017 43 A HN 1.439 nan 8.150 nan 0.000 0.516 44 G N -3.657 105.091 108.800 -0.086 0.000 2.176 44 G HA2 -0.094 3.867 3.960 0.001 0.000 0.253 44 G HA3 -0.094 3.867 3.960 0.001 0.000 0.253 44 G C -0.055 174.803 174.900 -0.071 0.000 0.979 44 G CA 0.438 45.487 45.100 -0.085 0.000 0.641 44 G HN 1.412 nan 8.290 nan 0.000 0.530 45 L N 0.870 122.053 121.223 -0.066 0.000 2.331 45 L HA 0.713 5.053 4.340 0.001 0.000 0.278 45 L C 0.641 177.484 176.870 -0.046 0.000 1.106 45 L CA -0.211 54.599 54.840 -0.051 0.000 0.824 45 L CB 1.192 43.223 42.059 -0.046 0.000 1.142 45 L HN 0.209 nan 8.230 nan 0.000 0.443 46 L N 2.732 123.937 121.223 -0.031 0.000 2.370 46 L HA 0.565 4.906 4.340 0.001 0.000 0.266 46 L C 0.097 176.956 176.870 -0.019 0.000 1.002 46 L CA -0.836 53.994 54.840 -0.018 0.000 0.818 46 L CB 2.255 44.313 42.059 -0.001 0.000 1.325 46 L HN 0.779 nan 8.230 nan 0.000 0.418 47 C N 0.414 119.701 119.300 -0.022 0.000 2.411 47 C HA 0.334 4.794 4.460 0.001 0.000 0.358 47 C C 1.743 176.705 174.990 -0.046 0.000 1.349 47 C CA -0.688 58.309 59.018 -0.035 0.000 2.326 47 C CB 0.539 28.252 27.740 -0.045 0.000 2.166 47 C HN 0.871 nan 8.230 nan 0.000 0.609 48 L N 1.425 122.608 121.223 -0.067 0.000 2.012 48 L HA -0.092 4.248 4.340 0.001 0.000 0.210 48 L C 2.734 179.551 176.870 -0.090 0.000 1.073 48 L CA 1.957 56.752 54.840 -0.075 0.000 0.748 48 L CB -0.961 41.041 42.059 -0.095 0.000 0.891 48 L HN 0.840 nan 8.230 nan 0.000 0.431 49 K N -0.898 119.412 120.400 -0.149 0.000 1.987 49 K HA -0.197 4.124 4.320 0.001 0.000 0.216 49 K C 1.981 178.565 176.600 -0.026 0.000 1.051 49 K CA 1.563 57.722 56.287 -0.214 0.000 0.942 49 K CB -0.992 31.232 32.500 -0.459 0.000 0.722 49 K HN 0.554 nan 8.250 nan 0.000 0.444 50 G N 1.171 109.979 108.800 0.013 0.000 2.529 50 G HA2 -0.356 3.605 3.960 0.001 0.000 0.219 50 G HA3 -0.356 3.605 3.960 0.001 0.000 0.219 50 G C 1.567 176.498 174.900 0.052 0.000 1.177 50 G CA 1.700 46.835 45.100 0.059 0.000 0.773 50 G HN 0.474 nan 8.290 nan 0.000 0.573 51 S N -0.032 115.687 115.700 0.031 0.000 2.447 51 S HA 0.120 4.591 4.470 0.001 0.000 0.233 51 S C 1.824 176.457 174.600 0.055 0.000 1.006 51 S CA 0.642 58.868 58.200 0.044 0.000 0.957 51 S CB -0.186 63.025 63.200 0.019 0.000 0.773 51 S HN 0.249 nan 8.310 nan 0.000 0.507 52 L N 1.263 122.510 121.223 0.039 0.000 2.848 52 L HA 0.319 4.659 4.340 0.001 0.000 0.240 52 L C 1.035 177.948 176.870 0.072 0.000 1.232 52 L CA -0.288 54.577 54.840 0.042 0.000 1.031 52 L CB 0.196 42.255 42.059 0.001 0.000 1.338 52 L HN 0.258 nan 8.230 nan 0.000 0.509 53 L N 0.190 121.467 121.223 0.089 0.000 2.291 53 L HA -0.091 4.250 4.340 0.001 0.000 0.214 53 L C 2.277 179.261 176.870 0.191 0.000 1.120 53 L CA 1.348 56.231 54.840 0.072 0.000 0.799 53 L CB -0.340 41.652 42.059 -0.110 0.000 0.925 53 L HN 0.258 nan 8.230 nan 0.000 0.446 54 I N 0.667 121.355 120.570 0.196 0.000 2.252 54 I HA -0.129 4.042 4.170 0.001 0.000 0.245 54 I C -0.120 176.097 176.117 0.166 0.000 1.102 54 I CA 0.948 62.375 61.300 0.212 0.000 1.385 54 I CB -2.585 35.509 38.000 0.156 0.000 1.064 54 I HN 0.158 nan 8.210 nan 0.000 0.414 55 P HA -0.103 nan 4.420 nan 0.000 0.216 55 P C 2.217 179.578 177.300 0.102 0.000 1.150 55 P CA 1.116 64.269 63.100 0.089 0.000 0.843 55 P CB -0.022 31.712 31.700 0.056 0.000 0.787 56 V N -0.369 119.616 119.914 0.118 0.000 2.307 56 V HA -0.200 3.921 4.120 0.001 0.000 0.245 56 V C 2.408 178.607 176.094 0.175 0.000 1.045 56 V CA 1.540 63.899 62.300 0.099 0.000 1.024 56 V CB -1.375 30.490 31.823 0.070 0.000 0.651 56 V HN 0.049 nan 8.190 nan 0.000 0.449 57 L N 0.832 122.271 121.223 0.361 0.000 2.127 57 L HA -0.115 4.226 4.340 0.001 0.000 0.211 57 L C 1.890 178.900 176.870 0.233 0.000 1.089 57 L CA 1.951 57.073 54.840 0.471 0.000 0.757 57 L CB -0.770 41.638 42.059 0.581 0.000 0.899 57 L HN 0.306 nan 8.230 nan 0.000 0.434 58 N N -1.026 117.773 118.700 0.166 0.000 2.373 58 N HA 0.026 4.767 4.740 0.001 0.000 0.181 58 N C 0.514 176.070 175.510 0.076 0.000 1.082 58 N CA 0.351 53.462 53.050 0.102 0.000 0.885 58 N CB 0.036 38.573 38.487 0.083 0.000 0.977 58 N HN 0.259 nan 8.380 nan 0.000 0.462 59 S N 1.131 116.885 115.700 0.090 0.000 2.558 59 S HA -0.012 4.458 4.470 0.001 0.000 0.293 59 S C 1.252 175.887 174.600 0.058 0.000 1.292 59 S CA 0.004 58.258 58.200 0.090 0.000 1.063 59 S CB 0.477 63.775 63.200 0.162 0.000 0.831 59 S HN 0.049 nan 8.310 nan 0.000 0.499 60 K N 3.193 123.621 120.400 0.047 0.000 2.426 60 K HA 0.076 4.397 4.320 0.001 0.000 0.193 60 K C 0.152 176.766 176.600 0.023 0.000 1.028 60 K CA 0.356 56.657 56.287 0.023 0.000 1.047 60 K CB 0.023 32.536 32.500 0.022 0.000 0.821 60 K HN 0.690 nan 8.250 nan 0.000 0.513 61 E N 2.228 122.468 120.200 0.065 0.000 2.222 61 E HA 0.043 4.394 4.350 0.001 0.000 0.312 61 E C -0.088 176.558 176.600 0.077 0.000 1.263 61 E CA 0.077 56.532 56.400 0.091 0.000 1.356 61 E CB 0.173 29.953 29.700 0.133 0.000 1.180 61 E HN -0.027 nan 8.360 nan 0.000 0.494 62 R N 0.441 120.906 120.500 -0.059 0.000 2.854 62 R HA 0.425 4.766 4.340 0.001 0.000 0.271 62 R C -0.691 175.525 176.300 -0.140 0.000 0.994 62 R CA -1.070 54.887 56.100 -0.238 0.000 0.945 62 R CB 2.008 32.138 30.300 -0.283 0.000 1.194 62 R HN 0.028 nan 8.270 nan 0.000 0.476 63 V N 2.245 122.055 119.914 -0.173 0.000 2.368 63 V HA 0.131 4.252 4.120 0.001 0.000 0.266 63 V C 1.183 177.240 176.094 -0.061 0.000 1.045 63 V CA 0.235 62.481 62.300 -0.089 0.000 0.899 63 V CB 0.942 32.720 31.823 -0.076 0.000 1.006 63 V HN 0.991 nan 8.190 nan 0.000 0.470 64 T N 0.874 115.410 114.554 -0.031 0.000 3.003 64 T HA 0.225 4.576 4.350 0.001 0.000 0.261 64 T C 0.319 175.044 174.700 0.042 0.000 1.003 64 T CA -0.225 61.881 62.100 0.011 0.000 0.917 64 T CB 0.203 69.075 68.868 0.006 0.000 1.084 64 T HN 0.672 nan 8.240 nan 0.000 0.522 65 Q N 0.552 120.346 119.800 -0.010 0.000 2.451 65 Q HA 0.696 5.036 4.340 0.001 0.000 0.281 65 Q C -3.403 172.488 176.000 -0.182 0.000 1.099 65 Q CA -2.770 53.005 55.803 -0.047 0.000 0.806 65 Q CB 1.659 30.379 28.738 -0.031 0.000 1.419 65 Q HN -0.061 nan 8.270 nan 0.000 0.427 66 P HA 0.259 nan 4.420 nan 0.000 0.274 66 P C -1.201 175.951 177.300 -0.248 0.000 1.231 66 P CA -0.334 62.484 63.100 -0.469 0.000 0.790 66 P CB 0.534 31.769 31.700 -0.774 0.000 0.951 67 L N 2.056 123.162 121.223 -0.195 0.000 2.388 67 L HA 0.629 4.969 4.340 0.001 0.000 0.264 67 L C -0.500 176.315 176.870 -0.093 0.000 0.998 67 L CA -0.773 53.997 54.840 -0.116 0.000 0.817 67 L CB 2.101 44.106 42.059 -0.090 0.000 1.338 67 L HN 0.117 nan 8.230 nan 0.000 0.414 68 V N 2.823 122.700 119.914 -0.062 0.000 2.876 68 V HA 0.631 4.752 4.120 0.001 0.000 0.312 68 V C -0.797 175.274 176.094 -0.038 0.000 1.085 68 V CA -0.729 61.551 62.300 -0.034 0.000 0.945 68 V CB 2.577 34.392 31.823 -0.014 0.000 1.017 68 V HN 0.796 nan 8.190 nan 0.000 0.428 69 R N 4.615 125.100 120.500 -0.025 0.000 2.312 69 R HA 0.427 4.767 4.340 0.001 0.000 0.310 69 R C 0.781 177.040 176.300 -0.068 0.000 1.064 69 R CA -0.725 55.352 56.100 -0.039 0.000 0.983 69 R CB 0.681 30.968 30.300 -0.021 0.000 1.139 69 R HN 0.698 nan 8.270 nan 0.000 0.536 70 R N 1.193 121.580 120.500 -0.189 0.000 2.103 70 R HA -0.087 4.254 4.340 0.001 0.000 0.242 70 R C 0.291 176.276 176.300 -0.524 0.000 1.142 70 R CA 1.454 57.294 56.100 -0.434 0.000 0.960 70 R CB -0.242 29.626 30.300 -0.719 0.000 0.858 70 R HN 0.613 nan 8.270 nan 0.000 0.439 71 H N -0.599 118.495 119.070 0.040 0.000 2.928 71 H HA 0.333 4.889 4.556 0.001 0.000 0.371 71 H C -0.137 175.209 175.328 0.030 0.000 1.186 71 H CA -0.946 55.124 56.048 0.036 0.000 1.134 71 H CB 1.303 31.078 29.762 0.022 0.000 1.824 71 H HN -0.251 nan 8.280 nan 0.000 0.554 72 K N 0.706 121.200 120.400 0.157 0.000 2.412 72 K HA 0.178 4.499 4.320 0.001 0.000 0.281 72 K C 1.015 177.650 176.600 0.058 0.000 1.027 72 K CA 0.846 57.185 56.287 0.087 0.000 0.989 72 K CB 0.620 33.166 32.500 0.076 0.000 0.935 72 K HN 1.028 nan 8.250 nan 0.000 0.475 73 G N 2.274 111.086 108.800 0.020 0.000 2.179 73 G HA2 -0.264 3.697 3.960 0.001 0.000 0.260 73 G HA3 -0.264 3.697 3.960 0.001 0.000 0.260 73 G C 0.657 175.560 174.900 0.006 0.000 0.977 73 G CA 0.282 45.380 45.100 -0.004 0.000 0.641 73 G HN 0.839 nan 8.290 nan 0.000 0.533 74 G N -0.403 108.415 108.800 0.030 0.000 2.481 74 G HA2 0.460 4.421 3.960 0.001 0.000 0.251 74 G HA3 0.460 4.421 3.960 0.001 0.000 0.251 74 G C 0.126 175.023 174.900 -0.005 0.000 1.492 74 G CA 0.417 45.535 45.100 0.030 0.000 1.060 74 G HN 0.687 nan 8.290 nan 0.000 0.553 75 K N -0.644 119.750 120.400 -0.009 0.000 2.397 75 K HA 0.410 4.731 4.320 0.001 0.000 0.253 75 K C -1.329 175.253 176.600 -0.029 0.000 0.932 75 K CA -0.839 55.435 56.287 -0.021 0.000 0.795 75 K CB 1.852 34.344 32.500 -0.013 0.000 1.159 75 K HN 0.203 nan 8.250 nan 0.000 0.424 76 L N 4.745 125.947 121.223 -0.034 0.000 2.418 76 L HA 0.130 4.471 4.340 0.001 0.000 0.274 76 L C -0.115 176.733 176.870 -0.036 0.000 1.135 76 L CA 0.804 55.620 54.840 -0.039 0.000 0.870 76 L CB 0.306 42.340 42.059 -0.041 0.000 1.154 76 L HN 0.728 nan 8.230 nan 0.000 0.462 77 E N 5.497 125.673 120.200 -0.040 0.000 2.343 77 E HA 0.621 4.972 4.350 0.001 0.000 0.270 77 E C -2.843 173.731 176.600 -0.043 0.000 0.895 77 E CA -2.501 53.877 56.400 -0.036 0.000 0.767 77 E CB 1.575 31.256 29.700 -0.031 0.000 1.248 77 E HN 0.242 nan 8.360 nan 0.000 0.440 78 P HA 0.058 nan 4.420 nan 0.000 0.267 78 P C -1.014 176.261 177.300 -0.042 0.000 1.200 78 P CA -0.260 62.814 63.100 -0.044 0.000 0.772 78 P CB 0.783 32.467 31.700 -0.027 0.000 0.855 79 V N 1.393 121.272 119.914 -0.058 0.000 3.077 79 V HA 0.410 4.531 4.120 0.001 0.000 0.299 79 V C -0.320 175.742 176.094 -0.054 0.000 1.276 79 V CA -0.565 61.708 62.300 -0.046 0.000 0.993 79 V CB 2.257 34.050 31.823 -0.050 0.000 1.076 79 V HN 0.664 nan 8.190 nan 0.000 0.434 80 S N 3.870 119.569 115.700 -0.002 0.000 2.600 80 S HA 0.159 4.630 4.470 0.001 0.000 0.265 80 S C 0.590 175.228 174.600 0.063 0.000 1.325 80 S CA 0.599 58.829 58.200 0.049 0.000 1.002 80 S CB 0.700 63.951 63.200 0.085 0.000 0.921 80 S HN 0.785 nan 8.310 nan 0.000 0.554 81 W N 0.936 122.259 121.300 0.039 0.000 2.363 81 W HA -0.027 4.633 4.660 0.001 0.000 0.296 81 W C 1.873 178.428 176.519 0.058 0.000 1.212 81 W CA 1.087 58.461 57.345 0.047 0.000 1.260 81 W CB -0.153 29.332 29.460 0.042 0.000 1.131 81 W HN 0.747 nan 8.180 nan 0.000 0.530 82 D N -0.439 120.131 120.400 0.283 0.000 2.097 82 D HA -0.202 4.439 4.640 0.001 0.000 0.197 82 D C 1.833 178.223 176.300 0.150 0.000 0.984 82 D CA 1.554 55.672 54.000 0.196 0.000 0.826 82 D CB -0.669 40.215 40.800 0.140 0.000 0.973 82 D HN 0.263 nan 8.370 nan 0.000 0.460 83 E N 0.556 120.823 120.200 0.112 0.000 2.058 83 E HA -0.203 4.147 4.350 0.001 0.000 0.194 83 E C 1.989 178.646 176.600 0.095 0.000 0.997 83 E CA 1.195 57.646 56.400 0.085 0.000 0.801 83 E CB -0.028 29.705 29.700 0.055 0.000 0.746 83 E HN 0.159 nan 8.360 nan 0.000 0.450 84 A N 0.957 123.821 122.820 0.074 0.000 1.892 84 A HA -0.205 4.116 4.320 0.001 0.000 0.218 84 A C 2.221 179.902 177.584 0.160 0.000 1.188 84 A CA 1.530 53.605 52.037 0.063 0.000 0.631 84 A CB -0.767 18.166 19.000 -0.112 0.000 0.822 84 A HN 0.336 nan 8.150 nan 0.000 0.447 85 L N -0.833 120.527 121.223 0.228 0.000 2.056 85 L HA -0.164 4.177 4.340 0.001 0.000 0.207 85 L C 2.155 179.179 176.870 0.257 0.000 1.078 85 L CA 1.363 56.377 54.840 0.290 0.000 0.749 85 L CB -0.565 41.690 42.059 0.325 0.000 0.901 85 L HN 0.288 nan 8.230 nan 0.000 0.433 86 D N -0.091 120.423 120.400 0.190 0.000 2.117 86 D HA -0.185 4.456 4.640 0.001 0.000 0.197 86 D C 2.020 178.408 176.300 0.148 0.000 0.987 86 D CA 1.057 55.147 54.000 0.149 0.000 0.829 86 D CB -0.137 40.727 40.800 0.106 0.000 0.961 86 D HN 0.116 nan 8.370 nan 0.000 0.460 87 L N 0.232 121.543 121.223 0.146 0.000 2.046 87 L HA -0.060 4.280 4.340 0.001 0.000 0.208 87 L C 2.151 179.130 176.870 0.182 0.000 1.077 87 L CA 1.540 56.449 54.840 0.116 0.000 0.747 87 L CB -0.507 41.632 42.059 0.134 0.000 0.896 87 L HN 0.016 nan 8.230 nan 0.000 0.432 88 M N -1.162 118.645 119.600 0.344 0.000 2.099 88 M HA -0.131 4.350 4.480 0.001 0.000 0.262 88 M C 2.131 178.811 176.300 0.633 0.000 1.067 88 M CA 1.958 57.581 55.300 0.539 0.000 1.124 88 M CB -0.138 32.668 32.600 0.343 0.000 1.353 88 M HN 0.350 nan 8.290 nan 0.000 0.410 89 A N -0.127 123.001 122.820 0.513 0.000 1.929 89 A HA -0.139 4.182 4.320 0.001 0.000 0.216 89 A C 2.215 179.943 177.584 0.241 0.000 1.176 89 A CA 1.962 54.240 52.037 0.401 0.000 0.628 89 A CB -1.024 18.113 19.000 0.228 0.000 0.816 89 A HN 0.714 nan 8.150 nan 0.000 0.444 90 S N -0.318 115.480 115.700 0.164 0.000 2.368 90 S HA -0.165 4.306 4.470 0.001 0.000 0.224 90 S C 2.070 176.694 174.600 0.041 0.000 1.029 90 S CA 1.043 59.286 58.200 0.071 0.000 0.988 90 S CB -0.426 62.793 63.200 0.031 0.000 0.838 90 S HN 0.484 nan 8.310 nan 0.000 0.462 91 R N 0.375 120.884 120.500 0.015 0.000 2.081 91 R HA 0.080 4.421 4.340 0.001 0.000 0.235 91 R C 2.010 178.312 176.300 0.004 0.000 1.131 91 R CA 1.375 57.406 56.100 -0.115 0.000 0.960 91 R CB -1.278 28.714 30.300 -0.513 0.000 0.856 91 R HN 0.561 nan 8.270 nan 0.000 0.436 92 F N 0.608 120.593 119.950 0.058 0.000 2.113 92 F HA -0.157 4.370 4.527 0.001 0.000 0.297 92 F C 2.781 178.481 175.800 -0.167 0.000 1.103 92 F CA 1.324 59.327 58.000 0.003 0.000 1.248 92 F CB -0.205 38.879 39.000 0.140 0.000 0.999 92 F HN -0.050 nan 8.300 nan 0.000 0.475 93 R N 0.187 120.708 120.500 0.035 0.000 2.083 93 R HA -0.165 4.176 4.340 0.001 0.000 0.237 93 R C 2.448 178.716 176.300 -0.054 0.000 1.137 93 R CA 1.823 57.893 56.100 -0.049 0.000 0.951 93 R CB -1.035 29.257 30.300 -0.014 0.000 0.851 93 R HN 0.122 nan 8.270 nan 0.000 0.434 94 S N -0.736 114.942 115.700 -0.037 0.000 2.365 94 S HA -0.188 4.283 4.470 0.001 0.000 0.225 94 S C 2.033 176.600 174.600 -0.054 0.000 1.039 94 S CA 1.793 59.961 58.200 -0.053 0.000 1.033 94 S CB -0.640 62.533 63.200 -0.045 0.000 0.887 94 S HN 0.524 nan 8.310 nan 0.000 0.447 95 S N 0.333 116.023 115.700 -0.017 0.000 2.356 95 S HA -0.065 4.406 4.470 0.001 0.000 0.223 95 S C 1.758 176.397 174.600 0.065 0.000 1.032 95 S CA 1.501 59.760 58.200 0.099 0.000 1.005 95 S CB -0.507 62.684 63.200 -0.014 0.000 0.867 95 S HN 0.540 nan 8.310 nan 0.000 0.449 96 I N 1.710 122.255 120.570 -0.042 0.000 2.113 96 I HA -0.190 3.981 4.170 0.001 0.000 0.238 96 I C 2.217 178.304 176.117 -0.050 0.000 1.070 96 I CA 1.586 62.861 61.300 -0.043 0.000 1.332 96 I CB -0.513 37.423 38.000 -0.106 0.000 1.044 96 I HN 0.225 nan 8.210 nan 0.000 0.402 97 D N 0.381 120.733 120.400 -0.080 0.000 2.157 97 D HA -0.232 4.409 4.640 0.001 0.000 0.191 97 D C 2.159 178.357 176.300 -0.170 0.000 1.004 97 D CA 1.624 55.564 54.000 -0.100 0.000 0.854 97 D CB -0.188 40.554 40.800 -0.097 0.000 0.936 97 D HN 0.265 nan 8.370 nan 0.000 0.446 98 M N -1.307 118.106 119.600 -0.311 0.000 2.299 98 M HA -0.045 4.436 4.480 0.001 0.000 0.264 98 M C 1.346 177.325 176.300 -0.535 0.000 1.095 98 M CA 1.154 56.098 55.300 -0.594 0.000 1.165 98 M CB -0.412 31.468 32.600 -1.200 0.000 1.349 98 M HN 0.118 nan 8.290 nan 0.000 0.446 99 Y N -0.139 120.148 120.300 -0.022 0.000 2.500 99 Y HA 0.532 5.083 4.550 0.002 0.000 0.246 99 Y C 1.181 177.081 175.900 -0.002 0.000 1.146 99 Y CA -0.103 57.989 58.100 -0.013 0.000 1.230 99 Y CB -0.100 38.347 38.460 -0.021 0.000 1.214 99 Y HN 0.363 nan 8.280 nan 0.000 0.526 100 G N 0.903 109.761 108.800 0.097 0.000 2.690 100 G HA2 -0.174 3.787 3.960 0.001 0.000 0.686 100 G HA3 -0.174 3.787 3.960 0.001 0.000 0.686 100 G C -2.202 172.753 174.900 0.092 0.000 1.277 100 G CA -0.735 44.413 45.100 0.080 0.000 0.799 100 G HN -0.023 nan 8.290 nan 0.000 0.613 101 P HA -0.121 nan 4.420 nan 0.000 0.216 101 P C 1.504 178.901 177.300 0.161 0.000 1.150 101 P CA 1.551 64.727 63.100 0.127 0.000 0.843 101 P CB -0.021 31.773 31.700 0.157 0.000 0.787 102 N N -0.926 117.859 118.700 0.142 0.000 2.609 102 N HA -0.055 4.686 4.740 0.001 0.000 0.190 102 N C 1.112 176.734 175.510 0.186 0.000 1.157 102 N CA 0.859 54.007 53.050 0.163 0.000 0.918 102 N CB -0.611 37.932 38.487 0.093 0.000 0.978 102 N HN 0.304 nan 8.380 nan 0.000 0.448 103 S N -1.277 114.500 115.700 0.130 0.000 2.548 103 S HA 0.101 4.572 4.470 0.001 0.000 0.215 103 S C 0.828 175.439 174.600 0.017 0.000 0.976 103 S CA -0.448 57.783 58.200 0.052 0.000 0.908 103 S CB -0.269 62.961 63.200 0.050 0.000 0.781 103 S HN 0.090 nan 8.310 nan 0.000 0.519 104 V N -1.879 118.105 119.914 0.116 0.000 2.815 104 V HA 1.005 5.126 4.120 0.001 0.000 0.314 104 V C -0.497 175.863 176.094 0.443 0.000 1.064 104 V CA -0.699 61.722 62.300 0.202 0.000 0.952 104 V CB 1.188 33.131 31.823 0.198 0.000 1.020 104 V HN 0.487 nan 8.190 nan 0.000 0.439 105 A N 3.424 126.549 122.820 0.509 0.000 2.606 105 A HA 0.751 5.072 4.320 0.001 0.000 0.293 105 A C -1.602 176.066 177.584 0.140 0.000 1.082 105 A CA -0.592 51.629 52.037 0.307 0.000 0.685 105 A CB 1.943 21.011 19.000 0.114 0.000 1.284 105 A HN 1.659 nan 8.150 nan 0.000 0.408 106 W N 2.246 123.309 121.300 -0.394 0.000 2.532 106 W HA 0.614 5.275 4.660 0.001 0.000 0.321 106 W C -2.497 173.984 176.519 -0.064 0.000 1.037 106 W CA -0.602 56.464 57.345 -0.466 0.000 1.220 106 W CB 1.556 30.487 29.460 -0.883 0.000 1.361 106 W HN 0.742 nan 8.180 nan 0.000 0.468 107 Y N 6.235 126.118 120.300 -0.695 0.000 2.555 107 Y HA 0.506 5.057 4.550 0.001 0.000 0.326 107 Y C 0.146 175.634 175.900 -0.686 0.000 0.984 107 Y CA -0.397 57.415 58.100 -0.480 0.000 1.298 107 Y CB 0.605 38.974 38.460 -0.153 0.000 1.094 107 Y HN 0.466 nan 8.280 nan 0.000 0.500 108 G N 1.514 109.722 108.800 -0.987 0.000 2.890 108 G HA2 0.555 4.516 3.960 0.001 0.000 0.189 108 G HA3 0.555 4.516 3.960 0.001 0.000 0.189 108 G C -1.217 173.458 174.900 -0.374 0.000 1.342 108 G CA -0.756 44.001 45.100 -0.572 0.000 1.026 108 G HN 0.539 nan 8.290 nan 0.000 0.579 109 S N -2.430 113.239 115.700 -0.053 0.000 2.543 109 S HA 0.486 4.957 4.470 0.001 0.000 0.273 109 S C 0.725 175.375 174.600 0.083 0.000 1.152 109 S CA 0.366 58.560 58.200 -0.010 0.000 0.910 109 S CB 1.244 64.458 63.200 0.023 0.000 1.105 109 S HN 1.230 nan 8.310 nan 0.000 0.465 110 G N 1.887 110.737 108.800 0.082 0.000 2.882 110 G HA2 0.023 3.984 3.960 0.001 0.000 0.206 110 G HA3 0.023 3.984 3.960 0.001 0.000 0.206 110 G C 0.723 175.660 174.900 0.062 0.000 1.155 110 G CA 0.299 45.453 45.100 0.090 0.000 0.800 110 G HN 0.728 nan 8.290 nan 0.000 0.524 111 Q N -0.877 118.993 119.800 0.116 0.000 2.396 111 Q HA 0.135 4.476 4.340 0.001 0.000 0.209 111 Q C 0.961 177.120 176.000 0.264 0.000 0.906 111 Q CA -0.275 55.606 55.803 0.130 0.000 0.927 111 Q CB 0.500 29.365 28.738 0.210 0.000 1.069 111 Q HN 0.389 nan 8.270 nan 0.000 0.523 112 C N 1.586 121.025 119.300 0.232 0.000 2.679 112 C HA 0.053 4.513 4.460 0.001 0.000 0.417 112 C C 0.834 176.014 174.990 0.317 0.000 1.302 112 C CA -0.751 58.422 59.018 0.258 0.000 1.973 112 C CB -0.557 27.329 27.740 0.244 0.000 2.715 112 C HN 0.396 nan 8.230 nan 0.000 0.628 113 L N 2.835 124.208 121.223 0.250 0.000 2.483 113 L HA 0.069 4.410 4.340 0.001 0.000 0.276 113 L C 1.778 178.748 176.870 0.166 0.000 1.213 113 L CA 0.186 55.140 54.840 0.190 0.000 0.843 113 L CB 0.135 42.208 42.059 0.023 0.000 1.107 113 L HN 0.824 nan 8.230 nan 0.000 0.487 114 T N 0.309 114.964 114.554 0.170 0.000 2.737 114 T HA -0.198 4.153 4.350 0.001 0.000 0.269 114 T C 1.539 176.307 174.700 0.113 0.000 1.040 114 T CA 1.831 64.022 62.100 0.151 0.000 1.142 114 T CB -0.122 68.887 68.868 0.236 0.000 0.861 114 T HN 0.581 nan 8.240 nan 0.000 0.456 115 E N 0.986 121.255 120.200 0.115 0.000 2.106 115 E HA -0.083 4.268 4.350 0.001 0.000 0.192 115 E C 2.266 178.871 176.600 0.008 0.000 0.984 115 E CA 0.956 57.382 56.400 0.043 0.000 0.806 115 E CB -0.141 29.568 29.700 0.015 0.000 0.750 115 E HN 0.614 nan 8.360 nan 0.000 0.458 116 E N 0.256 120.479 120.200 0.039 0.000 2.072 116 E HA -0.097 4.254 4.350 0.001 0.000 0.191 116 E C 2.077 178.667 176.600 -0.016 0.000 0.985 116 E CA 1.128 57.554 56.400 0.043 0.000 0.801 116 E CB -0.088 29.687 29.700 0.125 0.000 0.750 116 E HN 0.029 nan 8.360 nan 0.000 0.452 117 S N 0.156 115.869 115.700 0.021 0.000 2.402 117 S HA -0.144 4.327 4.470 0.001 0.000 0.229 117 S C 1.685 176.180 174.600 -0.175 0.000 1.021 117 S CA 0.705 58.879 58.200 -0.044 0.000 0.974 117 S CB -0.240 62.988 63.200 0.047 0.000 0.800 117 S HN 0.343 nan 8.310 nan 0.000 0.484 118 Y N 1.819 121.961 120.300 -0.264 0.000 2.242 118 Y HA -0.081 4.469 4.550 0.001 0.000 0.291 118 Y C 2.040 177.762 175.900 -0.297 0.000 1.137 118 Y CA 0.971 58.873 58.100 -0.330 0.000 1.181 118 Y CB -0.237 37.991 38.460 -0.387 0.000 0.989 118 Y HN 0.032 nan 8.280 nan 0.000 0.527 119 V N -0.050 119.806 119.914 -0.097 0.000 2.407 119 V HA -0.191 3.930 4.120 0.001 0.000 0.245 119 V C 2.623 178.536 176.094 -0.303 0.000 1.041 119 V CA 1.448 63.664 62.300 -0.140 0.000 1.040 119 V CB -1.315 30.482 31.823 -0.044 0.000 0.671 119 V HN 0.505 nan 8.190 nan 0.000 0.455 120 A N 0.174 122.709 122.820 -0.475 0.000 1.908 120 A HA -0.310 4.011 4.320 0.001 0.000 0.218 120 A C 2.169 179.424 177.584 -0.549 0.000 1.181 120 A CA 2.328 53.869 52.037 -0.826 0.000 0.627 120 A CB -0.899 16.821 19.000 -2.133 0.000 0.818 120 A HN 0.626 nan 8.150 nan 0.000 0.445 121 N N -0.747 117.642 118.700 -0.519 0.000 2.120 121 N HA -0.182 4.559 4.740 0.001 0.000 0.188 121 N C 1.918 177.269 175.510 -0.266 0.000 1.024 121 N CA 1.577 54.438 53.050 -0.315 0.000 0.852 121 N CB -0.139 38.167 38.487 -0.302 0.000 1.003 121 N HN 0.592 nan 8.380 nan 0.000 0.424 122 K N 0.785 120.876 120.400 -0.514 0.000 2.025 122 K HA -0.032 4.289 4.320 0.001 0.000 0.207 122 K C 2.148 178.424 176.600 -0.541 0.000 1.049 122 K CA 0.784 56.581 56.287 -0.817 0.000 0.933 122 K CB 0.002 31.843 32.500 -1.098 0.000 0.714 122 K HN 0.130 nan 8.250 nan 0.000 0.438 123 I N 0.258 120.569 120.570 -0.431 0.000 2.163 123 I HA -0.282 3.889 4.170 0.001 0.000 0.243 123 I C 1.907 177.601 176.117 -0.704 0.000 1.085 123 I CA 1.423 62.367 61.300 -0.592 0.000 1.347 123 I CB -0.246 37.440 38.000 -0.523 0.000 1.044 123 I HN 0.119 nan 8.210 nan 0.000 0.408 124 F N 0.831 120.583 119.950 -0.329 0.000 2.128 124 F HA -0.116 4.412 4.527 0.002 0.000 0.295 124 F C 2.547 178.355 175.800 0.014 0.000 1.100 124 F CA 1.399 59.388 58.000 -0.019 0.000 1.260 124 F CB -0.264 38.836 39.000 0.168 0.000 1.009 124 F HN -0.185 nan 8.300 nan 0.000 0.476 125 K N -0.554 119.933 120.400 0.146 0.000 2.116 125 K HA 0.025 4.346 4.320 0.001 0.000 0.203 125 K C 2.218 178.899 176.600 0.135 0.000 1.052 125 K CA 1.105 57.495 56.287 0.170 0.000 0.952 125 K CB -0.449 32.178 32.500 0.213 0.000 0.729 125 K HN 0.320 nan 8.250 nan 0.000 0.446 126 G N -0.190 108.622 108.800 0.020 0.000 2.608 126 G HA2 -0.016 3.945 3.960 0.001 0.000 0.210 126 G HA3 -0.016 3.945 3.960 0.001 0.000 0.210 126 G C 1.341 176.180 174.900 -0.102 0.000 1.139 126 G CA 0.466 45.578 45.100 0.020 0.000 0.812 126 G HN 0.353 nan 8.290 nan 0.000 0.529 127 G N 0.693 109.330 108.800 -0.271 0.000 2.473 127 G HA2 0.031 3.992 3.960 0.001 0.000 0.212 127 G HA3 0.031 3.992 3.960 0.001 0.000 0.212 127 G C 1.475 176.262 174.900 -0.190 0.000 1.211 127 G CA 0.280 45.164 45.100 -0.360 0.000 0.813 127 G HN 0.349 nan 8.290 nan 0.000 0.541 128 F N 0.909 120.787 119.950 -0.121 0.000 2.456 128 F HA 0.225 4.753 4.527 0.001 0.000 0.298 128 F C 2.163 177.968 175.800 0.009 0.000 1.104 128 F CA 0.319 58.273 58.000 -0.077 0.000 1.435 128 F CB 0.320 39.245 39.000 -0.125 0.000 1.078 128 F HN 0.344 nan 8.300 nan 0.000 0.546 129 G N 1.290 110.202 108.800 0.186 0.000 2.160 129 G HA2 -0.251 3.710 3.960 0.001 0.000 0.244 129 G HA3 -0.251 3.710 3.960 0.001 0.000 0.244 129 G C 0.022 175.029 174.900 0.179 0.000 1.022 129 G CA 0.379 45.571 45.100 0.154 0.000 0.741 129 G HN 0.360 nan 8.290 nan 0.000 0.508 130 T N -0.826 113.878 114.554 0.249 0.000 2.863 130 T HA 0.595 4.945 4.350 0.001 0.000 0.285 130 T C 0.775 175.632 174.700 0.261 0.000 1.009 130 T CA -0.461 61.792 62.100 0.256 0.000 0.989 130 T CB 0.855 69.921 68.868 0.330 0.000 1.004 130 T HN 0.027 nan 8.240 nan 0.000 0.455 131 N N 3.297 122.107 118.700 0.184 0.000 2.268 131 N HA 0.118 4.859 4.740 0.001 0.000 0.204 131 N C -0.038 175.575 175.510 0.173 0.000 1.124 131 N CA -0.035 53.111 53.050 0.160 0.000 0.838 131 N CB 0.051 38.602 38.487 0.106 0.000 0.994 131 N HN 0.613 nan 8.380 nan 0.000 0.489 132 N N 0.871 119.705 118.700 0.223 0.000 3.027 132 N HA 0.060 4.801 4.740 0.001 0.000 0.309 132 N C -0.929 174.712 175.510 0.218 0.000 1.222 132 N CA 0.137 53.337 53.050 0.249 0.000 1.187 132 N CB 0.444 39.121 38.487 0.316 0.000 1.458 132 N HN -0.159 nan 8.380 nan 0.000 0.535 133 V N 1.020 121.057 119.914 0.205 0.000 2.447 133 V HA 0.278 4.399 4.120 0.001 0.000 0.292 133 V C -0.462 175.790 176.094 0.264 0.000 1.021 133 V CA -0.657 61.773 62.300 0.217 0.000 0.850 133 V CB 2.034 33.935 31.823 0.129 0.000 1.005 133 V HN 0.331 nan 8.190 nan 0.000 0.426 134 D N 2.057 122.652 120.400 0.324 0.000 2.837 134 D HA 0.923 5.564 4.640 0.001 0.000 0.294 134 D C 0.019 176.482 176.300 0.273 0.000 1.158 134 D CA 0.454 54.649 54.000 0.324 0.000 1.073 134 D CB 2.422 43.441 40.800 0.365 0.000 1.419 134 D HN 0.835 nan 8.370 nan 0.000 0.584 135 G N -0.847 108.102 108.800 0.249 0.000 2.349 135 G HA2 0.205 4.166 3.960 0.001 0.000 0.294 135 G HA3 0.205 4.166 3.960 0.001 0.000 0.294 135 G C -0.256 174.693 174.900 0.081 0.000 1.380 135 G CA -0.128 44.925 45.100 -0.077 0.000 0.811 135 G HN 0.465 nan 8.290 nan 0.000 0.519 136 N N -0.587 118.070 118.700 -0.071 0.000 2.459 136 N HA 0.035 4.776 4.740 0.001 0.000 0.181 136 N C -0.878 174.687 175.510 0.092 0.000 1.046 136 N CA 0.928 54.012 53.050 0.056 0.000 0.904 136 N CB -0.937 37.537 38.487 -0.021 0.000 0.964 136 N HN 0.242 nan 8.380 nan 0.000 0.444 137 P HA -0.049 nan 4.420 nan 0.000 0.231 137 P C 1.207 178.595 177.300 0.147 0.000 1.158 137 P CA 0.765 63.940 63.100 0.125 0.000 0.763 137 P CB -0.067 31.714 31.700 0.134 0.000 0.805 138 R N 0.202 120.802 120.500 0.167 0.000 2.148 138 R HA 0.041 4.382 4.340 0.001 0.000 0.223 138 R C 1.592 177.975 176.300 0.139 0.000 1.088 138 R CA 0.897 57.100 56.100 0.172 0.000 0.985 138 R CB -0.739 29.694 30.300 0.222 0.000 0.880 138 R HN 0.165 nan 8.270 nan 0.000 0.451 139 L N -0.881 120.431 121.223 0.149 0.000 2.591 139 L HA 0.125 4.466 4.340 0.001 0.000 0.228 139 L C 1.471 178.443 176.870 0.170 0.000 1.133 139 L CA -0.250 54.698 54.840 0.180 0.000 0.880 139 L CB 0.323 42.506 42.059 0.207 0.000 1.033 139 L HN 0.349 nan 8.230 nan 0.000 0.450 140 C N -1.103 118.274 119.300 0.128 0.000 3.154 140 C HA 0.166 4.627 4.460 0.001 0.000 0.284 140 C C 1.790 176.862 174.990 0.137 0.000 2.328 140 C CA -0.086 59.002 59.018 0.116 0.000 1.586 140 C CB 0.358 28.156 27.740 0.096 0.000 1.551 140 C HN 0.298 nan 8.230 nan 0.000 0.693 141 M N 1.901 121.589 119.600 0.147 0.000 2.441 141 M HA 0.302 4.783 4.480 0.001 0.000 0.244 141 M C 1.895 178.305 176.300 0.184 0.000 1.122 141 M CA 0.953 56.355 55.300 0.170 0.000 1.041 141 M CB -1.411 31.293 32.600 0.173 0.000 1.438 141 M HN 0.567 nan 8.290 nan 0.000 0.484 142 A N -0.132 122.784 122.820 0.159 0.000 1.972 142 A HA -0.103 4.218 4.320 0.001 0.000 0.219 142 A C 2.460 180.125 177.584 0.134 0.000 1.169 142 A CA 1.963 54.092 52.037 0.153 0.000 0.635 142 A CB -0.554 18.517 19.000 0.118 0.000 0.810 142 A HN 0.432 nan 8.150 nan 0.000 0.446 143 S N -0.380 115.391 115.700 0.119 0.000 2.383 143 S HA 0.031 4.501 4.470 0.001 0.000 0.227 143 S C 2.282 176.983 174.600 0.168 0.000 1.026 143 S CA 1.022 59.283 58.200 0.101 0.000 0.981 143 S CB -0.340 62.906 63.200 0.077 0.000 0.818 143 S HN 0.787 nan 8.310 nan 0.000 0.472 144 A N 1.060 124.026 122.820 0.243 0.000 1.930 144 A HA 0.001 4.322 4.320 0.001 0.000 0.217 144 A C 2.285 180.108 177.584 0.398 0.000 1.175 144 A CA 1.191 53.427 52.037 0.332 0.000 0.627 144 A CB -0.759 18.453 19.000 0.354 0.000 0.815 144 A HN 0.334 nan 8.150 nan 0.000 0.443 145 V N 0.009 120.132 119.914 0.349 0.000 2.295 145 V HA -0.191 3.930 4.120 0.001 0.000 0.246 145 V C 2.845 179.132 176.094 0.322 0.000 1.049 145 V CA 2.030 64.548 62.300 0.364 0.000 1.024 145 V CB -1.526 30.474 31.823 0.294 0.000 0.648 145 V HN 0.585 nan 8.190 nan 0.000 0.447 146 G N -0.036 108.897 108.800 0.222 0.000 2.418 146 G HA2 -0.162 3.799 3.960 0.001 0.000 0.217 146 G HA3 -0.162 3.799 3.960 0.001 0.000 0.217 146 G C 1.622 176.610 174.900 0.146 0.000 1.158 146 G CA 0.989 46.177 45.100 0.146 0.000 0.771 146 G HN 0.596 nan 8.290 nan 0.000 0.545 147 G N -0.294 108.614 108.800 0.179 0.000 2.418 147 G HA2 -0.183 3.778 3.960 0.001 0.000 0.217 147 G HA3 -0.183 3.778 3.960 0.001 0.000 0.217 147 G C 1.623 176.697 174.900 0.291 0.000 1.158 147 G CA 0.799 46.016 45.100 0.194 0.000 0.771 147 G HN 0.499 nan 8.290 nan 0.000 0.545 148 Y N -0.142 120.391 120.300 0.387 0.000 2.263 148 Y HA -0.042 4.509 4.550 0.001 0.000 0.292 148 Y C 3.012 179.084 175.900 0.287 0.000 1.130 148 Y CA 0.492 58.798 58.100 0.343 0.000 1.179 148 Y CB 0.136 38.775 38.460 0.298 0.000 0.998 148 Y HN 0.057 nan 8.280 nan 0.000 0.532 149 V N -0.423 119.724 119.914 0.389 0.000 2.379 149 V HA -0.260 3.861 4.120 0.001 0.000 0.245 149 V C 2.389 178.604 176.094 0.203 0.000 1.044 149 V CA 2.287 64.759 62.300 0.287 0.000 1.036 149 V CB -0.987 30.987 31.823 0.252 0.000 0.664 149 V HN 0.597 nan 8.190 nan 0.000 0.453 150 T N -2.810 111.822 114.554 0.130 0.000 2.812 150 T HA -0.145 4.206 4.350 0.001 0.000 0.264 150 T C 2.014 176.869 174.700 0.257 0.000 1.042 150 T CA 1.678 63.819 62.100 0.068 0.000 1.140 150 T CB -0.423 68.251 68.868 -0.325 0.000 0.870 150 T HN 0.353 nan 8.240 nan 0.000 0.445 151 S N 0.831 116.599 115.700 0.113 0.000 2.368 151 S HA 0.174 4.645 4.470 0.001 0.000 0.224 151 S C 1.198 175.420 174.600 -0.630 0.000 1.029 151 S CA 0.987 59.070 58.200 -0.195 0.000 0.988 151 S CB -0.330 62.610 63.200 -0.433 0.000 0.838 151 S HN 0.613 nan 8.310 nan 0.000 0.462 152 F N -0.759 119.179 119.950 -0.021 0.000 2.784 152 F HA 0.373 4.901 4.527 0.001 0.000 0.323 152 F C 1.756 177.503 175.800 -0.089 0.000 1.085 152 F CA 0.235 58.152 58.000 -0.139 0.000 1.196 152 F CB 0.489 39.421 39.000 -0.113 0.000 1.053 152 F HN 0.279 nan 8.300 nan 0.000 0.578 153 G N 0.311 109.216 108.800 0.175 0.000 2.199 153 G HA2 -0.219 3.742 3.960 0.001 0.000 0.254 153 G HA3 -0.219 3.742 3.960 0.001 0.000 0.254 153 G C 0.223 175.258 174.900 0.225 0.000 0.982 153 G CA 0.026 45.226 45.100 0.166 0.000 0.632 153 G HN 0.149 nan 8.290 nan 0.000 0.529 154 K N 0.250 120.814 120.400 0.274 0.000 2.508 154 K HA 0.493 4.814 4.320 0.001 0.000 0.260 154 K C -1.006 175.789 176.600 0.325 0.000 0.949 154 K CA -0.821 55.659 56.287 0.322 0.000 0.834 154 K CB 2.131 34.799 32.500 0.280 0.000 1.365 154 K HN 0.134 nan 8.250 nan 0.000 0.437 155 D N 1.597 122.218 120.400 0.369 0.000 2.383 155 D HA 0.187 4.827 4.640 0.001 0.000 0.248 155 D C -0.716 175.587 176.300 0.005 0.000 1.170 155 D CA 0.827 54.999 54.000 0.288 0.000 0.977 155 D CB 0.643 41.689 40.800 0.410 0.000 1.120 155 D HN 0.372 nan 8.370 nan 0.000 0.481 156 E N -1.144 118.890 120.200 -0.277 0.000 8.078 156 E HA -0.107 4.244 4.350 0.001 0.000 0.466 156 E C -2.453 173.481 176.600 -1.110 0.000 0.790 156 E CA -0.256 55.828 56.400 -0.527 0.000 1.391 156 E CB -1.597 28.030 29.700 -0.121 0.000 0.986 156 E HN 0.362 nan 8.360 nan 0.000 0.262 157 P HA -0.070 nan 4.420 nan 0.000 0.268 157 P C 1.208 178.099 177.300 -0.682 0.000 1.189 157 P CA 0.363 62.938 63.100 -0.876 0.000 0.771 157 P CB 0.294 31.375 31.700 -1.032 0.000 0.822 158 M N 0.667 119.977 119.600 -0.483 0.000 2.441 158 M HA 0.279 4.760 4.480 0.001 0.000 0.244 158 M C 0.562 176.663 176.300 -0.331 0.000 1.122 158 M CA 0.722 55.718 55.300 -0.507 0.000 1.041 158 M CB -0.808 31.522 32.600 -0.450 0.000 1.438 158 M HN 0.202 nan 8.290 nan 0.000 0.484 159 G N 0.981 109.689 108.800 -0.153 0.000 2.971 159 G HA2 0.695 4.656 3.960 0.001 0.000 0.235 159 G HA3 0.695 4.656 3.960 0.001 0.000 0.235 159 G C -0.940 173.992 174.900 0.054 0.000 1.351 159 G CA 0.130 45.205 45.100 -0.041 0.000 1.039 159 G HN 0.456 nan 8.290 nan 0.000 0.563 160 T N -4.218 110.329 114.554 -0.012 0.000 2.804 160 T HA 0.372 4.723 4.350 0.001 0.000 0.290 160 T C 0.537 175.013 174.700 -0.373 0.000 1.099 160 T CA -0.643 61.361 62.100 -0.159 0.000 1.011 160 T CB 0.961 69.701 68.868 -0.213 0.000 1.291 160 T HN 0.418 nan 8.240 nan 0.000 0.523 161 Y N 0.222 120.298 120.300 -0.373 0.000 2.333 161 Y HA 0.039 4.590 4.550 0.001 0.000 0.290 161 Y C 3.025 178.782 175.900 -0.239 0.000 1.144 161 Y CA 0.456 58.300 58.100 -0.426 0.000 1.228 161 Y CB -0.415 37.835 38.460 -0.351 0.000 0.985 161 Y HN 0.807 nan 8.280 nan 0.000 0.542 162 A N 0.193 123.004 122.820 -0.015 0.000 2.076 162 A HA -0.200 4.121 4.320 0.001 0.000 0.220 162 A C 1.628 179.196 177.584 -0.026 0.000 1.160 162 A CA 1.743 53.774 52.037 -0.009 0.000 0.653 162 A CB -0.497 18.493 19.000 -0.017 0.000 0.801 162 A HN 0.385 nan 8.150 nan 0.000 0.455 163 D N -0.232 120.130 120.400 -0.064 0.000 2.350 163 D HA -0.059 4.582 4.640 0.001 0.000 0.216 163 D C 1.630 177.919 176.300 -0.019 0.000 0.968 163 D CA 0.649 54.614 54.000 -0.058 0.000 0.894 163 D CB -0.109 40.643 40.800 -0.079 0.000 0.909 163 D HN 0.571 nan 8.370 nan 0.000 0.520 164 I N 1.121 121.711 120.570 0.034 0.000 2.286 164 I HA -0.215 3.956 4.170 0.001 0.000 0.245 164 I C 1.597 177.835 176.117 0.201 0.000 1.104 164 I CA 0.849 62.273 61.300 0.206 0.000 1.397 164 I CB -0.030 38.046 38.000 0.126 0.000 1.072 164 I HN -0.199 nan 8.210 nan 0.000 0.417 165 D N 0.699 121.149 120.400 0.083 0.000 2.357 165 D HA -0.198 4.443 4.640 0.001 0.000 0.216 165 D C 1.762 178.087 176.300 0.042 0.000 0.973 165 D CA 1.128 55.162 54.000 0.057 0.000 0.912 165 D CB -0.093 40.722 40.800 0.025 0.000 0.900 165 D HN 0.566 nan 8.370 nan 0.000 0.501 166 Q N -0.859 118.951 119.800 0.016 0.000 2.211 166 Q HA 0.331 4.672 4.340 0.001 0.000 0.242 166 Q C 0.525 176.472 176.000 -0.088 0.000 0.825 166 Q CA -0.165 55.623 55.803 -0.025 0.000 0.951 166 Q CB 0.909 29.629 28.738 -0.030 0.000 1.130 166 Q HN 0.065 nan 8.270 nan 0.000 0.496 167 A N 0.997 123.707 122.820 -0.183 0.000 2.520 167 A HA 0.124 4.445 4.320 0.001 0.000 0.235 167 A C 0.765 178.163 177.584 -0.309 0.000 1.065 167 A CA 0.614 52.402 52.037 -0.414 0.000 0.764 167 A CB 0.452 18.822 19.000 -1.051 0.000 1.002 167 A HN 0.083 nan 8.150 nan 0.000 0.502 168 T N 0.151 114.550 114.554 -0.258 0.000 3.040 168 T HA 0.272 4.623 4.350 0.001 0.000 0.266 168 T C -0.398 174.231 174.700 -0.119 0.000 1.005 168 T CA 0.471 62.495 62.100 -0.126 0.000 0.906 168 T CB -0.543 68.280 68.868 -0.074 0.000 1.082 168 T HN 0.843 nan 8.240 nan 0.000 0.531 169 C N 1.194 120.336 119.300 -0.264 0.000 2.811 169 C HA 0.729 5.190 4.460 0.001 0.000 0.352 169 C C -1.958 172.839 174.990 -0.322 0.000 1.098 169 C CA -1.205 57.721 59.018 -0.154 0.000 1.295 169 C CB -0.030 27.635 27.740 -0.125 0.000 1.758 169 C HN 0.325 nan 8.230 nan 0.000 0.488 170 F N 4.909 124.915 119.950 0.093 0.000 2.467 170 F HA 0.557 5.084 4.527 0.001 0.000 0.336 170 F C -0.329 175.628 175.800 0.261 0.000 1.123 170 F CA -0.666 57.424 58.000 0.149 0.000 0.964 170 F CB 1.448 40.512 39.000 0.106 0.000 1.136 170 F HN 0.584 nan 8.300 nan 0.000 0.447 171 F N 5.766 125.905 119.950 0.314 0.000 2.347 171 F HA 0.640 5.168 4.527 0.001 0.000 0.366 171 F C -1.010 175.010 175.800 0.367 0.000 1.107 171 F CA -1.134 57.073 58.000 0.344 0.000 1.058 171 F CB 0.335 39.598 39.000 0.438 0.000 1.236 171 F HN 0.289 nan 8.300 nan 0.000 0.456 172 I N 8.443 128.969 120.570 -0.073 0.000 2.359 172 I HA 0.396 4.567 4.170 0.001 0.000 0.284 172 I C -0.768 175.243 176.117 -0.177 0.000 1.018 172 I CA -0.509 60.786 61.300 -0.009 0.000 1.173 172 I CB 1.418 39.480 38.000 0.103 0.000 1.326 172 I HN 0.567 nan 8.210 nan 0.000 0.462 173 I N 5.319 125.803 120.570 -0.144 0.000 2.498 173 I HA 0.594 4.765 4.170 0.001 0.000 0.290 173 I C 0.874 177.050 176.117 0.098 0.000 1.032 173 I CA -0.037 61.185 61.300 -0.130 0.000 1.073 173 I CB 1.645 39.450 38.000 -0.325 0.000 1.251 173 I HN 0.762 nan 8.210 nan 0.000 0.426 174 G N 4.386 113.256 108.800 0.117 0.000 2.221 174 G HA2 -0.234 3.727 3.960 0.001 0.000 0.265 174 G HA3 -0.234 3.727 3.960 0.001 0.000 0.265 174 G C -0.080 174.912 174.900 0.155 0.000 1.041 174 G CA 0.517 45.708 45.100 0.152 0.000 0.807 174 G HN 0.893 nan 8.290 nan 0.000 0.502 175 S N -0.778 114.991 115.700 0.114 0.000 2.668 175 S HA 0.505 4.976 4.470 0.001 0.000 0.277 175 S C -0.389 174.243 174.600 0.053 0.000 1.170 175 S CA -0.239 58.025 58.200 0.108 0.000 0.994 175 S CB 0.874 64.145 63.200 0.119 0.000 1.051 175 S HN 0.509 nan 8.310 nan 0.000 0.484 176 N N 3.922 122.646 118.700 0.040 0.000 3.234 176 N HA 0.162 4.903 4.740 0.001 0.000 0.272 176 N C 0.911 176.383 175.510 -0.064 0.000 1.254 176 N CA -0.304 52.719 53.050 -0.044 0.000 1.087 176 N CB 0.285 38.747 38.487 -0.042 0.000 1.356 176 N HN 0.635 nan 8.380 nan 0.000 0.511 177 T N -0.975 113.539 114.554 -0.067 0.000 2.759 177 T HA -0.213 4.138 4.350 0.001 0.000 0.269 177 T C 2.134 176.751 174.700 -0.138 0.000 1.042 177 T CA 1.725 63.836 62.100 0.018 0.000 1.140 177 T CB -0.179 68.764 68.868 0.124 0.000 0.864 177 T HN 0.578 nan 8.240 nan 0.000 0.455 178 S N 1.581 116.914 115.700 -0.612 0.000 2.387 178 S HA -0.056 4.415 4.470 0.001 0.000 0.226 178 S C 1.917 176.337 174.600 -0.300 0.000 1.026 178 S CA 0.779 58.540 58.200 -0.732 0.000 0.972 178 S CB -0.281 62.033 63.200 -1.477 0.000 0.814 178 S HN 0.585 nan 8.310 nan 0.000 0.477 179 E N 0.927 120.979 120.200 -0.247 0.000 2.170 179 E HA 0.199 4.550 4.350 0.001 0.000 0.191 179 E C 2.050 178.570 176.600 -0.134 0.000 0.981 179 E CA 0.773 57.076 56.400 -0.162 0.000 0.830 179 E CB -0.099 29.519 29.700 -0.136 0.000 0.775 179 E HN 0.719 nan 8.360 nan 0.000 0.470 180 A N 0.200 122.957 122.820 -0.103 0.000 2.197 180 A HA 0.071 4.392 4.320 0.001 0.000 0.210 180 A C 0.333 177.718 177.584 -0.333 0.000 1.180 180 A CA 0.250 52.193 52.037 -0.157 0.000 0.846 180 A CB 0.078 19.032 19.000 -0.076 0.000 0.884 180 A HN 0.119 nan 8.150 nan 0.000 0.487 181 H N -1.518 117.546 119.070 -0.010 0.000 2.712 181 H HA 0.254 4.811 4.556 0.001 0.000 0.226 181 H C -2.338 172.999 175.328 0.015 0.000 1.422 181 H CA -1.039 55.017 56.048 0.014 0.000 1.270 181 H CB 0.680 30.454 29.762 0.020 0.000 1.891 181 H HN 0.193 nan 8.280 nan 0.000 0.518 182 P HA -0.204 nan 4.420 nan 0.000 0.215 182 P C 1.646 179.001 177.300 0.091 0.000 1.157 182 P CA 0.930 64.070 63.100 0.067 0.000 0.868 182 P CB 0.473 32.172 31.700 -0.002 0.000 0.788 183 V N -0.374 119.566 119.914 0.044 0.000 2.252 183 V HA -0.269 3.852 4.120 0.001 0.000 0.249 183 V C 2.424 178.509 176.094 -0.015 0.000 1.056 183 V CA 1.853 64.159 62.300 0.011 0.000 1.022 183 V CB -1.346 30.477 31.823 0.000 0.000 0.641 183 V HN 0.090 nan 8.190 nan 0.000 0.445 184 L N -1.341 119.862 121.223 -0.033 0.000 2.083 184 L HA -0.198 4.143 4.340 0.001 0.000 0.209 184 L C 2.400 179.236 176.870 -0.057 0.000 1.083 184 L CA 1.785 56.556 54.840 -0.116 0.000 0.752 184 L CB -0.668 41.264 42.059 -0.211 0.000 0.899 184 L HN 0.379 nan 8.230 nan 0.000 0.433 185 F N 0.707 120.592 119.950 -0.108 0.000 2.171 185 F HA -0.191 4.337 4.527 0.001 0.000 0.300 185 F C 2.769 178.488 175.800 -0.135 0.000 1.090 185 F CA 1.382 59.308 58.000 -0.123 0.000 1.293 185 F CB -0.314 38.641 39.000 -0.076 0.000 1.013 185 F HN -0.104 nan 8.300 nan 0.000 0.486 186 R N 0.641 121.049 120.500 -0.153 0.000 2.081 186 R HA -0.147 4.194 4.340 0.001 0.000 0.235 186 R C 2.484 178.634 176.300 -0.250 0.000 1.131 186 R CA 1.411 57.379 56.100 -0.220 0.000 0.960 186 R CB -0.553 29.703 30.300 -0.073 0.000 0.856 186 R HN 0.280 nan 8.270 nan 0.000 0.436 187 R N 0.198 120.581 120.500 -0.194 0.000 2.120 187 R HA -0.054 4.287 4.340 0.001 0.000 0.234 187 R C 2.296 178.436 176.300 -0.267 0.000 1.123 187 R CA 1.257 57.251 56.100 -0.177 0.000 0.975 187 R CB -0.104 30.117 30.300 -0.132 0.000 0.866 187 R HN 0.257 nan 8.270 nan 0.000 0.446 188 I N -0.181 120.136 120.570 -0.422 0.000 2.193 188 I HA -0.174 3.997 4.170 0.001 0.000 0.240 188 I C 2.547 178.312 176.117 -0.587 0.000 1.084 188 I CA 1.003 61.901 61.300 -0.670 0.000 1.365 188 I CB -0.624 36.889 38.000 -0.811 0.000 1.064 188 I HN 0.181 nan 8.210 nan 0.000 0.410 189 A N 1.225 123.635 122.820 -0.682 0.000 1.903 189 A HA -0.330 3.991 4.320 0.001 0.000 0.219 189 A C 2.346 179.758 177.584 -0.286 0.000 1.191 189 A CA 2.532 54.259 52.037 -0.516 0.000 0.638 189 A CB -0.723 17.906 19.000 -0.618 0.000 0.823 189 A HN 0.331 nan 8.150 nan 0.000 0.451 190 R N -0.271 120.083 120.500 -0.244 0.000 2.080 190 R HA -0.175 4.166 4.340 0.001 0.000 0.236 190 R C 2.286 178.525 176.300 -0.101 0.000 1.137 190 R CA 2.187 58.201 56.100 -0.143 0.000 0.943 190 R CB -0.527 29.703 30.300 -0.116 0.000 0.846 190 R HN 0.456 nan 8.270 nan 0.000 0.431 191 R N 0.963 121.405 120.500 -0.096 0.000 2.096 191 R HA -0.116 4.225 4.340 0.001 0.000 0.240 191 R C 2.048 178.354 176.300 0.009 0.000 1.139 191 R CA 2.306 58.401 56.100 -0.009 0.000 0.952 191 R CB -0.515 29.835 30.300 0.082 0.000 0.854 191 R HN 0.313 nan 8.270 nan 0.000 0.436 192 K N -0.162 120.219 120.400 -0.031 0.000 2.211 192 K HA -0.154 4.167 4.320 0.001 0.000 0.203 192 K C 2.071 178.659 176.600 -0.021 0.000 1.050 192 K CA 1.442 57.726 56.287 -0.006 0.000 0.945 192 K CB 0.012 32.494 32.500 -0.030 0.000 0.732 192 K HN 0.368 nan 8.250 nan 0.000 0.451 193 Q N -0.105 119.666 119.800 -0.049 0.000 2.050 193 Q HA -0.142 4.199 4.340 0.001 0.000 0.202 193 Q C 2.039 178.027 176.000 -0.020 0.000 0.980 193 Q CA 1.738 57.517 55.803 -0.039 0.000 0.840 193 Q CB 0.160 28.865 28.738 -0.055 0.000 0.898 193 Q HN 0.147 nan 8.270 nan 0.000 0.424 194 V N 0.337 120.241 119.914 -0.017 0.000 2.283 194 V HA -0.116 4.005 4.120 0.001 0.000 0.243 194 V C 0.934 177.030 176.094 0.003 0.000 1.039 194 V CA 1.125 63.420 62.300 -0.008 0.000 1.016 194 V CB -0.126 31.692 31.823 -0.008 0.000 0.650 194 V HN 0.218 nan 8.190 nan 0.000 0.449 195 E N 0.604 120.812 120.200 0.014 0.000 2.042 195 E HA 0.227 4.578 4.350 0.001 0.000 0.260 195 E C -1.997 174.618 176.600 0.026 0.000 0.975 195 E CA -3.112 53.300 56.400 0.020 0.000 0.799 195 E CB 1.305 31.021 29.700 0.026 0.000 1.131 195 E HN 0.211 nan 8.360 nan 0.000 0.423 196 P HA -0.031 nan 4.420 nan 0.000 0.222 196 P C 0.901 178.221 177.300 0.033 0.000 1.147 196 P CA 0.929 64.042 63.100 0.022 0.000 0.790 196 P CB 0.326 32.035 31.700 0.016 0.000 0.780 197 G N -0.395 108.425 108.800 0.032 0.000 3.186 197 G HA2 0.058 4.019 3.960 0.001 0.000 0.214 197 G HA3 0.058 4.019 3.960 0.001 0.000 0.214 197 G C 0.196 175.124 174.900 0.046 0.000 1.222 197 G CA -0.059 45.063 45.100 0.037 0.000 0.921 197 G HN 0.168 nan 8.290 nan 0.000 0.504 198 V N 0.498 120.449 119.914 0.062 0.000 2.465 198 V HA 0.281 4.402 4.120 0.001 0.000 0.279 198 V C 0.078 176.241 176.094 0.116 0.000 1.045 198 V CA -0.475 61.881 62.300 0.095 0.000 0.938 198 V CB 1.488 33.396 31.823 0.142 0.000 0.986 198 V HN 0.255 nan 8.190 nan 0.000 0.467 199 K N 5.458 125.935 120.400 0.128 0.000 2.164 199 K HA 0.716 5.037 4.320 0.001 0.000 0.258 199 K C -1.115 175.618 176.600 0.221 0.000 0.951 199 K CA -0.464 55.910 56.287 0.146 0.000 0.844 199 K CB 2.095 34.668 32.500 0.122 0.000 1.099 199 K HN 0.488 nan 8.250 nan 0.000 0.435 200 I N 4.039 124.737 120.570 0.212 0.000 2.439 200 I HA 0.296 4.467 4.170 0.001 0.000 0.285 200 I C -0.834 175.418 176.117 0.225 0.000 1.021 200 I CA -0.884 60.565 61.300 0.248 0.000 1.091 200 I CB 1.366 39.470 38.000 0.173 0.000 1.242 200 I HN 0.349 nan 8.210 nan 0.000 0.439 201 I N 7.148 127.886 120.570 0.280 0.000 2.354 201 I HA 0.397 4.568 4.170 0.001 0.000 0.292 201 I C -0.089 176.129 176.117 0.167 0.000 0.989 201 I CA -0.836 60.625 61.300 0.268 0.000 1.188 201 I CB 1.654 39.933 38.000 0.466 0.000 1.342 201 I HN 0.126 nan 8.210 nan 0.000 0.457 202 V N 5.609 125.585 119.914 0.102 0.000 2.378 202 V HA 0.650 4.771 4.120 0.001 0.000 0.288 202 V C 0.295 176.362 176.094 -0.045 0.000 1.016 202 V CA -0.664 61.658 62.300 0.037 0.000 0.840 202 V CB 1.579 33.445 31.823 0.071 0.000 0.994 202 V HN 0.862 nan 8.190 nan 0.000 0.431 203 A N 3.970 126.666 122.820 -0.206 0.000 2.277 203 A HA 0.784 5.104 4.320 0.001 0.000 0.318 203 A C -0.717 176.674 177.584 -0.321 0.000 1.339 203 A CA -0.263 51.486 52.037 -0.480 0.000 0.875 203 A CB 0.517 19.256 19.000 -0.435 0.000 1.158 203 A HN 0.762 nan 8.150 nan 0.000 0.514 204 D N 3.280 123.445 120.400 -0.392 0.000 2.812 204 D HA 0.269 4.910 4.640 0.001 0.000 0.210 204 D C -2.658 173.629 176.300 -0.022 0.000 1.260 204 D CA -1.052 52.930 54.000 -0.031 0.000 0.817 204 D CB 2.106 42.935 40.800 0.049 0.000 1.694 204 D HN 0.065 nan 8.370 nan 0.000 0.530 205 P HA -0.048 nan 4.420 nan 0.000 0.220 205 P C -0.100 177.270 177.300 0.117 0.000 1.144 205 P CA 0.970 64.122 63.100 0.087 0.000 0.800 205 P CB 0.254 32.017 31.700 0.106 0.000 0.772 206 R N 0.062 120.639 120.500 0.130 0.000 2.407 206 R HA 0.341 4.681 4.340 0.001 0.000 0.303 206 R C 0.409 176.730 176.300 0.035 0.000 0.981 206 R CA -0.775 55.383 56.100 0.097 0.000 0.905 206 R CB 1.225 31.566 30.300 0.068 0.000 1.099 206 R HN -0.081 nan 8.270 nan 0.000 0.459 207 R N 2.614 123.078 120.500 -0.060 0.000 2.296 207 R HA 0.100 4.441 4.340 0.001 0.000 0.327 207 R C -0.449 175.721 176.300 -0.216 0.000 1.137 207 R CA -0.078 55.809 56.100 -0.355 0.000 1.020 207 R CB 0.277 30.428 30.300 -0.247 0.000 1.110 207 R HN 0.753 nan 8.270 nan 0.000 0.499 208 T N 0.169 114.587 114.554 -0.227 0.000 2.910 208 T HA 0.206 4.557 4.350 0.001 0.000 0.279 208 T C 1.071 175.669 174.700 -0.170 0.000 0.989 208 T CA -0.940 61.068 62.100 -0.152 0.000 0.968 208 T CB 0.957 69.749 68.868 -0.127 0.000 1.135 208 T HN 0.403 nan 8.240 nan 0.000 0.562 209 N N 0.428 119.024 118.700 -0.172 0.000 2.348 209 N HA -0.082 4.659 4.740 0.001 0.000 0.185 209 N C 1.772 177.140 175.510 -0.237 0.000 1.019 209 N CA 1.238 54.178 53.050 -0.183 0.000 0.880 209 N CB -0.878 37.489 38.487 -0.199 0.000 0.965 209 N HN 0.692 nan 8.380 nan 0.000 0.437 210 T N -0.044 114.316 114.554 -0.324 0.000 2.867 210 T HA -0.090 4.261 4.350 0.001 0.000 0.268 210 T C 2.079 176.775 174.700 -0.007 0.000 1.057 210 T CA 1.375 63.294 62.100 -0.303 0.000 1.136 210 T CB -0.236 68.467 68.868 -0.276 0.000 0.874 210 T HN 0.468 nan 8.240 nan 0.000 0.466 211 S N 1.420 117.070 115.700 -0.084 0.000 2.515 211 S HA 0.012 4.483 4.470 0.001 0.000 0.231 211 S C 1.726 176.324 174.600 -0.004 0.000 0.987 211 S CA 0.179 58.339 58.200 -0.068 0.000 0.936 211 S CB -0.242 62.785 63.200 -0.289 0.000 0.766 211 S HN 0.236 nan 8.310 nan 0.000 0.528 212 R N 1.461 121.971 120.500 0.017 0.000 2.328 212 R HA 0.268 4.609 4.340 0.001 0.000 0.206 212 R C 1.381 177.730 176.300 0.081 0.000 0.990 212 R CA 0.477 56.601 56.100 0.039 0.000 1.085 212 R CB -0.740 29.576 30.300 0.027 0.000 0.998 212 R HN 0.836 nan 8.270 nan 0.000 0.484 213 I N -4.398 116.242 120.570 0.116 0.000 4.338 213 I HA 0.399 4.570 4.170 0.001 0.000 0.329 213 I C 0.322 176.480 176.117 0.068 0.000 1.378 213 I CA -0.529 60.813 61.300 0.071 0.000 1.170 213 I CB 0.605 38.614 38.000 0.014 0.000 1.206 213 I HN -0.246 nan 8.210 nan 0.000 0.432 214 A N 1.535 124.407 122.820 0.088 0.000 2.409 214 A HA 0.237 4.558 4.320 0.001 0.000 0.262 214 A C 0.784 178.427 177.584 0.099 0.000 1.113 214 A CA -0.190 51.909 52.037 0.103 0.000 0.790 214 A CB 0.158 19.225 19.000 0.112 0.000 1.046 214 A HN 0.396 nan 8.150 nan 0.000 0.496 215 D N 1.133 121.600 120.400 0.112 0.000 2.178 215 D HA -0.081 4.559 4.640 0.001 0.000 0.201 215 D C 0.445 176.814 176.300 0.115 0.000 0.980 215 D CA 1.494 55.558 54.000 0.107 0.000 0.842 215 D CB 0.155 41.024 40.800 0.115 0.000 0.948 215 D HN 0.628 nan 8.370 nan 0.000 0.472 216 M N 0.032 119.713 119.600 0.135 0.000 2.322 216 M HA 0.108 4.589 4.480 0.001 0.000 0.286 216 M C -1.808 174.579 176.300 0.144 0.000 1.111 216 M CA -0.491 54.889 55.300 0.135 0.000 0.941 216 M CB 3.133 35.822 32.600 0.148 0.000 1.671 216 M HN -0.154 nan 8.290 nan 0.000 0.470 217 H N 4.934 124.009 119.070 0.008 0.000 2.581 217 H HA 0.524 5.080 4.556 0.001 0.000 0.308 217 H C -1.735 173.518 175.328 -0.125 0.000 1.040 217 H CA -0.573 55.439 56.048 -0.061 0.000 1.231 217 H CB 1.109 30.840 29.762 -0.053 0.000 1.396 217 H HN 0.534 nan 8.280 nan 0.000 0.467 218 V N 5.289 124.881 119.914 -0.536 0.000 2.353 218 V HA 0.221 4.342 4.120 0.001 0.000 0.264 218 V C 0.808 176.217 176.094 -1.143 0.000 1.049 218 V CA -0.283 61.571 62.300 -0.742 0.000 0.896 218 V CB 0.600 31.943 31.823 -0.801 0.000 1.025 218 V HN 0.866 nan 8.190 nan 0.000 0.475 219 A N 6.490 128.757 122.820 -0.922 0.000 3.260 219 A HA 0.585 4.905 4.320 0.001 0.000 0.268 219 A C 0.230 177.636 177.584 -0.297 0.000 1.491 219 A CA -0.517 51.125 52.037 -0.659 0.000 1.181 219 A CB -0.735 18.018 19.000 -0.412 0.000 1.137 219 A HN 0.676 nan 8.150 nan 0.000 0.642 220 F N -0.903 118.926 119.950 -0.201 0.000 2.485 220 F HA 0.461 4.988 4.527 0.001 0.000 0.327 220 F C 0.778 176.518 175.800 -0.101 0.000 1.203 220 F CA -1.824 56.101 58.000 -0.125 0.000 1.295 220 F CB 0.246 39.164 39.000 -0.136 0.000 1.191 220 F HN 0.397 nan 8.300 nan 0.000 0.588 221 R N 1.787 122.401 120.500 0.190 0.000 2.442 221 R HA 0.277 4.618 4.340 0.001 0.000 0.291 221 R C -2.658 173.546 176.300 -0.160 0.000 1.069 221 R CA -1.414 54.692 56.100 0.010 0.000 1.022 221 R CB 0.047 30.377 30.300 0.050 0.000 0.976 221 R HN 0.362 nan 8.270 nan 0.000 0.443 222 P HA -0.057 nan 4.420 nan 0.000 0.263 222 P C 0.261 177.320 177.300 -0.402 0.000 1.175 222 P CA 1.559 64.377 63.100 -0.469 0.000 0.761 222 P CB 0.661 31.872 31.700 -0.815 0.000 0.794 223 G N 2.244 110.890 108.800 -0.256 0.000 2.225 223 G HA2 -0.286 3.675 3.960 0.001 0.000 0.254 223 G HA3 -0.286 3.675 3.960 0.001 0.000 0.254 223 G C 0.810 175.615 174.900 -0.158 0.000 0.988 223 G CA 0.531 45.536 45.100 -0.158 0.000 0.625 223 G HN 0.664 nan 8.290 nan 0.000 0.527 224 T N -0.539 113.880 114.554 -0.225 0.000 3.163 224 T HA 0.313 4.664 4.350 0.001 0.000 0.252 224 T C 1.607 176.143 174.700 -0.274 0.000 1.056 224 T CA 1.140 63.146 62.100 -0.156 0.000 0.947 224 T CB 0.045 68.877 68.868 -0.060 0.000 1.016 224 T HN 0.390 nan 8.240 nan 0.000 0.554 225 D N 1.607 121.681 120.400 -0.543 0.000 2.264 225 D HA -0.057 4.584 4.640 0.001 0.000 0.208 225 D C 1.698 177.878 176.300 -0.199 0.000 0.966 225 D CA 0.272 53.910 54.000 -0.604 0.000 0.864 225 D CB -0.557 39.721 40.800 -0.870 0.000 0.933 225 D HN 0.352 nan 8.370 nan 0.000 0.499 226 L N 0.908 122.028 121.223 -0.172 0.000 2.012 226 L HA -0.062 4.279 4.340 0.001 0.000 0.210 226 L C 2.688 179.432 176.870 -0.209 0.000 1.073 226 L CA 1.870 56.598 54.840 -0.187 0.000 0.748 226 L CB -0.911 41.084 42.059 -0.106 0.000 0.891 226 L HN 0.149 nan 8.230 nan 0.000 0.431 227 A N -1.194 121.603 122.820 -0.038 0.000 1.873 227 A HA -0.242 4.078 4.320 0.001 0.000 0.215 227 A C 2.293 179.911 177.584 0.057 0.000 1.186 227 A CA 1.456 53.541 52.037 0.081 0.000 0.616 227 A CB -1.016 18.110 19.000 0.210 0.000 0.823 227 A HN 0.368 nan 8.150 nan 0.000 0.442 228 F N 0.255 120.181 119.950 -0.040 0.000 2.087 228 F HA -0.266 4.262 4.527 0.001 0.000 0.299 228 F C 2.398 178.188 175.800 -0.017 0.000 1.100 228 F CA 2.409 60.421 58.000 0.019 0.000 1.226 228 F CB -0.171 38.907 39.000 0.130 0.000 0.983 228 F HN 0.160 nan 8.300 nan 0.000 0.479 229 M N -1.336 118.335 119.600 0.117 0.000 2.254 229 M HA -0.184 4.297 4.480 0.001 0.000 0.265 229 M C 2.161 178.356 176.300 -0.175 0.000 1.066 229 M CA 0.982 56.261 55.300 -0.036 0.000 1.123 229 M CB -0.647 31.924 32.600 -0.047 0.000 1.388 229 M HN 0.153 nan 8.290 nan 0.000 0.425 230 H N -0.800 118.141 119.070 -0.215 0.000 2.321 230 H HA -0.086 4.471 4.556 0.001 0.000 0.300 230 H C 2.463 177.689 175.328 -0.171 0.000 1.087 230 H CA 1.580 57.459 56.048 -0.282 0.000 1.319 230 H CB -0.505 28.783 29.762 -0.789 0.000 1.379 230 H HN 0.273 nan 8.280 nan 0.000 0.501 231 S N -0.041 115.630 115.700 -0.049 0.000 2.383 231 S HA -0.152 4.319 4.470 0.001 0.000 0.229 231 S C 2.263 176.763 174.600 -0.167 0.000 1.030 231 S CA 1.204 59.333 58.200 -0.118 0.000 1.002 231 S CB -0.139 62.899 63.200 -0.269 0.000 0.829 231 S HN 0.275 nan 8.310 nan 0.000 0.467 232 M N 0.606 120.034 119.600 -0.286 0.000 2.117 232 M HA -0.108 4.373 4.480 0.001 0.000 0.262 232 M C 2.388 178.598 176.300 -0.150 0.000 1.065 232 M CA 1.582 56.721 55.300 -0.267 0.000 1.114 232 M CB -0.464 31.936 32.600 -0.333 0.000 1.361 232 M HN 0.435 nan 8.290 nan 0.000 0.408 233 A N -0.712 122.042 122.820 -0.110 0.000 1.933 233 A HA -0.221 4.100 4.320 0.001 0.000 0.218 233 A C 1.853 179.404 177.584 -0.055 0.000 1.175 233 A CA 1.312 53.310 52.037 -0.065 0.000 0.628 233 A CB -1.220 17.783 19.000 0.005 0.000 0.814 233 A HN 0.771 nan 8.150 nan 0.000 0.444 234 W N 0.619 121.808 121.300 -0.186 0.000 2.335 234 W HA -0.209 4.452 4.660 0.001 0.000 0.311 234 W C 1.978 178.425 176.519 -0.120 0.000 1.213 234 W CA 2.467 59.706 57.345 -0.175 0.000 1.274 234 W CB -0.258 29.102 29.460 -0.166 0.000 1.148 234 W HN 0.112 nan 8.180 nan 0.000 0.498 235 V N 1.154 121.148 119.914 0.132 0.000 2.295 235 V HA -0.334 3.786 4.120 0.001 0.000 0.246 235 V C 2.191 178.238 176.094 -0.079 0.000 1.049 235 V CA 2.139 64.460 62.300 0.035 0.000 1.024 235 V CB -0.991 30.870 31.823 0.063 0.000 0.648 235 V HN 0.222 nan 8.190 nan 0.000 0.447 236 I N -0.301 120.238 120.570 -0.051 0.000 2.118 236 I HA -0.274 3.897 4.170 0.001 0.000 0.241 236 I C 2.369 178.472 176.117 -0.022 0.000 1.070 236 I CA 1.575 62.867 61.300 -0.013 0.000 1.327 236 I CB -0.408 37.593 38.000 0.002 0.000 1.034 236 I HN 0.216 nan 8.210 nan 0.000 0.405 237 I N 0.661 121.179 120.570 -0.087 0.000 2.142 237 I HA -0.307 3.864 4.170 0.001 0.000 0.240 237 I C 2.343 178.347 176.117 -0.188 0.000 1.078 237 I CA 1.881 63.138 61.300 -0.072 0.000 1.343 237 I CB -1.765 36.126 38.000 -0.180 0.000 1.046 237 I HN 0.367 nan 8.210 nan 0.000 0.405 238 N N 1.163 119.580 118.700 -0.472 0.000 2.120 238 N HA -0.209 4.532 4.740 0.001 0.000 0.188 238 N C 1.363 176.731 175.510 -0.236 0.000 1.024 238 N CA 1.317 54.037 53.050 -0.550 0.000 0.852 238 N CB 0.027 37.849 38.487 -1.108 0.000 1.003 238 N HN 0.397 nan 8.380 nan 0.000 0.424 239 E N 0.091 120.211 120.200 -0.133 0.000 2.403 239 E HA 0.048 4.399 4.350 0.001 0.000 0.188 239 E C -0.663 175.942 176.600 0.007 0.000 1.056 239 E CA -0.035 56.349 56.400 -0.028 0.000 0.892 239 E CB 0.136 29.851 29.700 0.026 0.000 1.049 239 E HN 0.360 nan 8.360 nan 0.000 0.465 240 E N 0.216 120.422 120.200 0.011 0.000 2.389 240 E HA -0.218 4.133 4.350 0.001 0.000 0.243 240 E C 0.167 176.815 176.600 0.080 0.000 1.154 240 E CA 0.018 56.455 56.400 0.062 0.000 0.723 240 E CB -1.298 28.434 29.700 0.053 0.000 1.261 240 E HN 0.377 nan 8.360 nan 0.000 0.390 241 L N 0.249 121.524 121.223 0.087 0.000 2.667 241 L HA 0.111 4.452 4.340 0.001 0.000 0.232 241 L C 1.188 178.144 176.870 0.144 0.000 1.138 241 L CA -0.241 54.660 54.840 0.102 0.000 0.921 241 L CB -0.207 41.907 42.059 0.091 0.000 1.180 241 L HN 0.237 nan 8.230 nan 0.000 0.487 242 D N -1.016 119.497 120.400 0.188 0.000 2.451 242 D HA -0.008 4.633 4.640 0.001 0.000 0.259 242 D C -0.176 176.294 176.300 0.283 0.000 1.201 242 D CA -0.423 53.748 54.000 0.284 0.000 1.028 242 D CB 1.062 42.097 40.800 0.393 0.000 1.095 242 D HN -0.181 nan 8.370 nan 0.000 0.539 243 N N 0.292 119.222 118.700 0.383 0.000 2.918 243 N HA 0.190 4.931 4.740 0.001 0.000 0.270 243 N C -2.007 173.536 175.510 0.055 0.000 1.536 243 N CA -2.011 51.191 53.050 0.252 0.000 0.877 243 N CB 0.996 39.660 38.487 0.294 0.000 1.190 243 N HN 0.110 nan 8.380 nan 0.000 0.492 244 P HA -0.161 nan 4.420 nan 0.000 0.216 244 P C 1.254 178.095 177.300 -0.764 0.000 1.150 244 P CA 0.966 63.413 63.100 -1.088 0.000 0.843 244 P CB 0.535 31.852 31.700 -0.640 0.000 0.787 245 R N -1.332 118.995 120.500 -0.289 0.000 2.105 245 R HA -0.115 4.226 4.340 0.001 0.000 0.239 245 R C 2.312 178.611 176.300 -0.001 0.000 1.135 245 R CA 1.011 57.027 56.100 -0.139 0.000 0.967 245 R CB -1.513 28.780 30.300 -0.011 0.000 0.861 245 R HN 0.281 nan 8.270 nan 0.000 0.442 246 F N 1.387 121.346 119.950 0.016 0.000 2.037 246 F HA -0.213 4.315 4.527 0.001 0.000 0.291 246 F C 2.517 178.482 175.800 0.276 0.000 1.137 246 F CA 1.608 59.778 58.000 0.284 0.000 1.178 246 F CB -0.722 38.471 39.000 0.322 0.000 0.995 246 F HN 0.148 nan 8.300 nan 0.000 0.472 247 W N 0.812 122.292 121.300 0.299 0.000 2.374 247 W HA -0.169 4.492 4.660 0.001 0.000 0.288 247 W C 1.658 178.181 176.519 0.007 0.000 1.218 247 W CA 0.973 58.382 57.345 0.106 0.000 1.245 247 W CB -1.511 28.075 29.460 0.209 0.000 1.126 247 W HN 0.253 nan 8.180 nan 0.000 0.545 248 Q N 0.755 120.328 119.800 -0.379 0.000 2.234 248 Q HA -0.186 4.155 4.340 0.001 0.000 0.206 248 Q C 2.377 178.278 176.000 -0.165 0.000 0.980 248 Q CA 1.912 57.557 55.803 -0.262 0.000 0.869 248 Q CB -0.234 28.182 28.738 -0.537 0.000 0.912 248 Q HN 0.350 nan 8.270 nan 0.000 0.436 249 R N -1.228 119.101 120.500 -0.286 0.000 2.225 249 R HA 0.017 4.357 4.340 0.001 0.000 0.194 249 R C 0.634 176.591 176.300 -0.573 0.000 0.957 249 R CA 0.507 56.314 56.100 -0.488 0.000 1.042 249 R CB 0.511 30.371 30.300 -0.732 0.000 1.004 249 R HN 0.220 nan 8.270 nan 0.000 0.509 250 Y N -1.293 118.895 120.300 -0.187 0.000 2.471 250 Y HA 0.341 4.891 4.550 0.001 0.000 0.249 250 Y C -0.337 175.488 175.900 -0.125 0.000 1.116 250 Y CA -0.534 57.469 58.100 -0.162 0.000 1.240 250 Y CB 1.711 39.878 38.460 -0.489 0.000 1.251 250 Y HN -0.225 nan 8.280 nan 0.000 0.527 251 V N 1.133 121.036 119.914 -0.019 0.000 2.735 251 V HA 0.382 4.503 4.120 0.001 0.000 0.310 251 V C -0.785 175.185 176.094 -0.207 0.000 1.061 251 V CA -0.981 61.222 62.300 -0.162 0.000 0.913 251 V CB 2.009 33.719 31.823 -0.188 0.000 1.005 251 V HN 0.100 nan 8.190 nan 0.000 0.428 252 N N 1.809 120.286 118.700 -0.373 0.000 2.362 252 N HA 0.671 5.412 4.740 0.001 0.000 0.299 252 N C -1.408 173.719 175.510 -0.639 0.000 1.170 252 N CA -0.356 52.494 53.050 -0.333 0.000 0.825 252 N CB 2.019 40.366 38.487 -0.234 0.000 1.299 252 N HN 0.440 nan 8.380 nan 0.000 0.502 253 F N 0.931 120.675 119.950 -0.343 0.000 2.493 253 F HA 0.491 5.019 4.527 0.001 0.000 0.329 253 F C 0.038 175.560 175.800 -0.462 0.000 1.126 253 F CA -0.716 57.019 58.000 -0.441 0.000 0.937 253 F CB 1.396 40.196 39.000 -0.333 0.000 1.146 253 F HN -0.016 nan 8.300 nan 0.000 0.442 254 M N 3.452 122.773 119.600 -0.466 0.000 2.243 254 M HA 0.253 4.734 4.480 0.001 0.000 0.324 254 M C -0.664 175.459 176.300 -0.295 0.000 1.031 254 M CA -0.955 54.058 55.300 -0.478 0.000 0.949 254 M CB 1.484 33.479 32.600 -1.009 0.000 1.615 254 M HN 0.620 nan 8.290 nan 0.000 0.430 255 D N 2.240 122.530 120.400 -0.185 0.000 2.372 255 D HA 0.214 4.855 4.640 0.001 0.000 0.243 255 D C 1.103 177.310 176.300 -0.154 0.000 1.297 255 D CA -0.271 53.623 54.000 -0.177 0.000 0.958 255 D CB 0.401 41.149 40.800 -0.088 0.000 1.114 255 D HN 0.614 nan 8.370 nan 0.000 0.496 256 A N -0.398 122.323 122.820 -0.164 0.000 2.139 256 A HA -0.207 4.114 4.320 0.001 0.000 0.221 256 A C 1.619 179.223 177.584 0.035 0.000 1.159 256 A CA 1.540 53.547 52.037 -0.051 0.000 0.662 256 A CB -0.729 18.341 19.000 0.117 0.000 0.796 256 A HN 0.616 nan 8.150 nan 0.000 0.463 257 E N -1.885 118.340 120.200 0.041 0.000 2.474 257 E HA 0.354 4.705 4.350 0.001 0.000 0.195 257 E C 1.057 177.722 176.600 0.107 0.000 1.039 257 E CA 0.557 57.001 56.400 0.073 0.000 0.881 257 E CB 0.233 29.969 29.700 0.060 0.000 0.970 257 E HN 0.668 nan 8.360 nan 0.000 0.486 258 G N 1.189 110.066 108.800 0.127 0.000 2.136 258 G HA2 -0.245 3.716 3.960 0.001 0.000 0.242 258 G HA3 -0.245 3.716 3.960 0.001 0.000 0.242 258 G C -0.021 174.929 174.900 0.082 0.000 0.989 258 G CA -0.103 45.138 45.100 0.235 0.000 0.682 258 G HN -0.025 nan 8.290 nan 0.000 0.522 259 K N 0.457 120.864 120.400 0.012 0.000 2.110 259 K HA 0.510 4.830 4.320 0.001 0.000 0.263 259 K C -2.391 174.166 176.600 -0.071 0.000 0.975 259 K CA -2.427 53.850 56.287 -0.016 0.000 0.895 259 K CB 0.989 33.489 32.500 0.000 0.000 1.060 259 K HN -0.000 nan 8.250 nan 0.000 0.448 260 P HA -0.016 nan 4.420 nan 0.000 0.264 260 P C -0.168 177.098 177.300 -0.056 0.000 1.183 260 P CA 0.460 63.513 63.100 -0.078 0.000 0.763 260 P CB 0.690 32.363 31.700 -0.044 0.000 0.807 261 S N 1.575 117.245 115.700 -0.050 0.000 3.331 261 S HA 0.727 5.197 4.470 0.001 0.000 0.316 261 S C -1.507 173.070 174.600 -0.038 0.000 1.104 261 S CA -0.375 57.795 58.200 -0.049 0.000 0.977 261 S CB 0.762 63.917 63.200 -0.076 0.000 1.370 261 S HN 0.528 nan 8.310 nan 0.000 0.731 262 D N -0.792 119.511 120.400 -0.162 0.000 2.768 262 D HA 0.277 4.917 4.640 0.001 0.000 0.327 262 D C 0.315 176.113 176.300 -0.836 0.000 1.302 262 D CA -0.640 53.170 54.000 -0.317 0.000 0.897 262 D CB -0.597 40.140 40.800 -0.104 0.000 1.420 262 D HN 0.338 nan 8.370 nan 0.000 0.494 263 F N 0.940 120.206 119.950 -1.139 0.000 2.120 263 F HA -0.155 4.373 4.527 0.001 0.000 0.300 263 F C 1.884 177.386 175.800 -0.497 0.000 1.095 263 F CA 1.910 59.229 58.000 -1.134 0.000 1.249 263 F CB -0.034 38.490 39.000 -0.793 0.000 0.995 263 F HN 0.261 nan 8.300 nan 0.000 0.480 264 E N 0.114 120.098 120.200 -0.361 0.000 2.106 264 E HA -0.091 4.260 4.350 0.001 0.000 0.192 264 E C 2.587 179.020 176.600 -0.278 0.000 0.984 264 E CA 1.005 57.211 56.400 -0.324 0.000 0.806 264 E CB -1.239 28.384 29.700 -0.127 0.000 0.750 264 E HN 0.528 nan 8.360 nan 0.000 0.458 265 G N 0.764 109.425 108.800 -0.231 0.000 2.459 265 G HA2 -0.322 3.639 3.960 0.001 0.000 0.217 265 G HA3 -0.322 3.639 3.960 0.001 0.000 0.217 265 G C 1.558 176.401 174.900 -0.094 0.000 1.183 265 G CA 0.873 45.891 45.100 -0.137 0.000 0.776 265 G HN 0.241 nan 8.290 nan 0.000 0.552 266 Y N 1.834 121.910 120.300 -0.373 0.000 2.128 266 Y HA -0.131 4.420 4.550 0.001 0.000 0.284 266 Y C 2.838 178.604 175.900 -0.224 0.000 1.154 266 Y CA 1.856 59.790 58.100 -0.276 0.000 1.149 266 Y CB -0.283 37.954 38.460 -0.371 0.000 0.976 266 Y HN 0.109 nan 8.280 nan 0.000 0.505 267 K N -0.358 119.737 120.400 -0.508 0.000 2.063 267 K HA -0.215 4.105 4.320 0.001 0.000 0.208 267 K C 2.306 178.777 176.600 -0.215 0.000 1.048 267 K CA 1.319 57.315 56.287 -0.485 0.000 0.928 267 K CB -0.527 31.608 32.500 -0.608 0.000 0.713 267 K HN 0.393 nan 8.250 nan 0.000 0.442 268 A N 1.226 123.958 122.820 -0.147 0.000 1.877 268 A HA -0.177 4.144 4.320 0.001 0.000 0.216 268 A C 2.026 179.609 177.584 -0.003 0.000 1.186 268 A CA 1.230 53.231 52.037 -0.060 0.000 0.620 268 A CB -0.749 18.224 19.000 -0.045 0.000 0.822 268 A HN 0.351 nan 8.150 nan 0.000 0.443 269 F N 0.706 120.591 119.950 -0.110 0.000 2.095 269 F HA -0.157 4.371 4.527 0.001 0.000 0.298 269 F C 1.836 177.601 175.800 -0.057 0.000 1.104 269 F CA 1.801 59.756 58.000 -0.074 0.000 1.232 269 F CB -0.270 38.701 39.000 -0.048 0.000 0.987 269 F HN 0.131 nan 8.300 nan 0.000 0.475 270 L N 0.154 121.363 121.223 -0.023 0.000 2.265 270 L HA -0.167 4.173 4.340 0.001 0.000 0.215 270 L C 2.279 179.168 176.870 0.031 0.000 1.117 270 L CA 0.784 55.608 54.840 -0.028 0.000 0.782 270 L CB -0.730 41.282 42.059 -0.077 0.000 0.914 270 L HN 0.122 nan 8.230 nan 0.000 0.441 271 E N 0.117 120.307 120.200 -0.016 0.000 2.267 271 E HA -0.218 4.133 4.350 0.001 0.000 0.197 271 E C 1.564 177.982 176.600 -0.304 0.000 0.998 271 E CA 0.798 57.157 56.400 -0.069 0.000 0.830 271 E CB -0.280 29.393 29.700 -0.045 0.000 0.751 271 E HN 0.401 nan 8.360 nan 0.000 0.491 272 N N -0.471 117.967 118.700 -0.437 0.000 2.550 272 N HA -0.115 4.626 4.740 0.001 0.000 0.186 272 N C -0.111 174.780 175.510 -1.032 0.000 1.110 272 N CA 0.508 53.119 53.050 -0.732 0.000 0.912 272 N CB 0.040 37.956 38.487 -0.952 0.000 0.968 272 N HN 0.167 nan 8.380 nan 0.000 0.448 273 Y N -0.226 119.820 120.300 -0.422 0.000 2.698 273 Y HA 0.352 4.903 4.550 0.001 0.000 0.261 273 Y C -0.057 175.525 175.900 -0.531 0.000 1.104 273 Y CA -0.711 57.165 58.100 -0.372 0.000 1.145 273 Y CB 0.080 38.389 38.460 -0.251 0.000 1.191 273 Y HN -0.281 nan 8.280 nan 0.000 0.564 274 R N 1.450 121.548 120.500 -0.671 0.000 2.583 274 R HA -0.030 4.311 4.340 0.001 0.000 0.274 274 R C -1.695 174.240 176.300 -0.608 0.000 0.998 274 R CA -0.868 54.642 56.100 -0.983 0.000 1.081 274 R CB 0.153 29.964 30.300 -0.816 0.000 0.940 274 R HN 0.112 nan 8.270 nan 0.000 0.413 275 P HA -0.202 nan 4.420 nan 0.000 0.216 275 P C 0.460 177.622 177.300 -0.229 0.000 1.154 275 P CA 1.390 64.237 63.100 -0.422 0.000 0.865 275 P CB 0.292 31.629 31.700 -0.604 0.000 0.789 276 E N -0.443 119.646 120.200 -0.184 0.000 2.106 276 E HA -0.160 4.191 4.350 0.001 0.000 0.192 276 E C 1.996 178.537 176.600 -0.098 0.000 0.984 276 E CA 1.117 57.464 56.400 -0.088 0.000 0.806 276 E CB -0.633 29.029 29.700 -0.063 0.000 0.750 276 E HN 0.292 nan 8.360 nan 0.000 0.458 277 K N 0.442 120.748 120.400 -0.155 0.000 2.076 277 K HA -0.033 4.288 4.320 0.001 0.000 0.204 277 K C 1.799 178.338 176.600 -0.102 0.000 1.051 277 K CA 0.919 57.124 56.287 -0.138 0.000 0.949 277 K CB 0.101 32.482 32.500 -0.199 0.000 0.726 277 K HN 0.018 nan 8.250 nan 0.000 0.443 278 V N 1.355 121.198 119.914 -0.118 0.000 2.871 278 V HA -0.084 4.037 4.120 0.001 0.000 0.256 278 V C 2.275 178.374 176.094 0.008 0.000 1.082 278 V CA 1.466 63.739 62.300 -0.046 0.000 1.105 278 V CB -0.012 31.778 31.823 -0.054 0.000 0.713 278 V HN 0.443 nan 8.190 nan 0.000 0.473 279 A N 1.245 124.056 122.820 -0.014 0.000 1.969 279 A HA -0.188 4.133 4.320 0.001 0.000 0.218 279 A C 2.097 179.718 177.584 0.062 0.000 1.169 279 A CA 1.745 53.811 52.037 0.048 0.000 0.635 279 A CB -0.237 18.784 19.000 0.034 0.000 0.810 279 A HN 0.735 nan 8.150 nan 0.000 0.445 280 E N 0.128 120.346 120.200 0.030 0.000 2.158 280 E HA -0.014 4.337 4.350 0.001 0.000 0.191 280 E C 1.581 178.211 176.600 0.050 0.000 0.982 280 E CA 0.954 57.375 56.400 0.036 0.000 0.823 280 E CB -0.610 29.098 29.700 0.014 0.000 0.766 280 E HN 0.570 nan 8.360 nan 0.000 0.468 281 I N 0.558 121.155 120.570 0.046 0.000 2.179 281 I HA -0.275 3.896 4.170 0.001 0.000 0.242 281 I C 1.654 177.824 176.117 0.089 0.000 1.088 281 I CA 0.984 62.319 61.300 0.058 0.000 1.357 281 I CB -0.207 37.823 38.000 0.049 0.000 1.051 281 I HN 0.301 nan 8.210 nan 0.000 0.409 282 C N 0.339 119.711 119.300 0.120 0.000 2.514 282 C HA 0.117 4.578 4.460 0.001 0.000 0.271 282 C C 0.996 176.085 174.990 0.165 0.000 1.399 282 C CA -0.351 58.771 59.018 0.173 0.000 1.765 282 C CB -0.907 27.015 27.740 0.302 0.000 1.893 282 C HN 0.465 nan 8.230 nan 0.000 0.531 283 R N -0.473 120.102 120.500 0.125 0.000 3.332 283 R HA -0.141 4.200 4.340 0.001 0.000 0.263 283 R C -0.549 175.810 176.300 0.097 0.000 1.053 283 R CA 0.940 57.101 56.100 0.101 0.000 0.705 283 R CB -2.564 27.793 30.300 0.095 0.000 1.166 283 R HN 0.646 nan 8.270 nan 0.000 0.427 284 V N -3.333 116.652 119.914 0.118 0.000 2.962 284 V HA 0.791 4.912 4.120 0.001 0.000 0.313 284 V C -2.311 173.851 176.094 0.113 0.000 1.099 284 V CA -2.698 59.669 62.300 0.112 0.000 0.971 284 V CB 2.679 34.600 31.823 0.163 0.000 1.028 284 V HN -0.090 nan 8.190 nan 0.000 0.430 285 P HA 0.200 nan 4.420 nan 0.000 0.264 285 P C 1.121 178.503 177.300 0.136 0.000 1.193 285 P CA 0.001 63.163 63.100 0.103 0.000 0.763 285 P CB 0.967 32.722 31.700 0.091 0.000 0.810 286 V N 2.772 122.765 119.914 0.132 0.000 2.546 286 V HA -0.268 3.853 4.120 0.001 0.000 0.254 286 V C 1.747 177.996 176.094 0.259 0.000 1.076 286 V CA 1.885 64.279 62.300 0.157 0.000 1.087 286 V CB -1.356 30.578 31.823 0.186 0.000 0.674 286 V HN 0.535 nan 8.190 nan 0.000 0.470 287 E N 0.221 120.566 120.200 0.241 0.000 2.204 287 E HA -0.217 4.134 4.350 0.001 0.000 0.195 287 E C 2.220 178.972 176.600 0.253 0.000 0.990 287 E CA 0.993 57.551 56.400 0.264 0.000 0.821 287 E CB -0.351 29.444 29.700 0.158 0.000 0.750 287 E HN 0.679 nan 8.360 nan 0.000 0.477 288 Q N -0.017 119.917 119.800 0.223 0.000 2.167 288 Q HA -0.060 4.281 4.340 0.001 0.000 0.202 288 Q C 2.159 178.344 176.000 0.308 0.000 0.970 288 Q CA 0.877 56.839 55.803 0.264 0.000 0.855 288 Q CB -0.046 28.855 28.738 0.270 0.000 0.911 288 Q HN 0.406 nan 8.270 nan 0.000 0.438 289 I N -0.462 120.180 120.570 0.121 0.000 2.202 289 I HA -0.270 3.901 4.170 0.001 0.000 0.242 289 I C 1.774 177.806 176.117 -0.141 0.000 1.091 289 I CA 1.255 62.406 61.300 -0.248 0.000 1.368 289 I CB -0.402 37.278 38.000 -0.534 0.000 1.058 289 I HN 0.156 nan 8.210 nan 0.000 0.410 290 Y N 1.310 121.634 120.300 0.040 0.000 2.145 290 Y HA -0.143 4.408 4.550 0.001 0.000 0.286 290 Y C 2.721 178.672 175.900 0.085 0.000 1.145 290 Y CA 1.529 59.668 58.100 0.066 0.000 1.148 290 Y CB -1.287 37.218 38.460 0.074 0.000 0.981 290 Y HN 0.111 nan 8.280 nan 0.000 0.507 291 G N -0.296 108.662 108.800 0.263 0.000 2.459 291 G HA2 -0.289 3.672 3.960 0.001 0.000 0.217 291 G HA3 -0.289 3.672 3.960 0.001 0.000 0.217 291 G C 1.942 176.967 174.900 0.209 0.000 1.183 291 G CA 1.313 46.541 45.100 0.213 0.000 0.776 291 G HN 0.485 nan 8.290 nan 0.000 0.552 292 A N 1.045 124.010 122.820 0.242 0.000 1.902 292 A HA 0.263 4.584 4.320 0.001 0.000 0.217 292 A C 2.831 180.520 177.584 0.174 0.000 1.181 292 A CA 2.392 54.594 52.037 0.276 0.000 0.623 292 A CB -0.828 18.450 19.000 0.464 0.000 0.818 292 A HN 0.842 nan 8.150 nan 0.000 0.443 293 A N -0.131 122.740 122.820 0.086 0.000 1.877 293 A HA -0.161 4.160 4.320 0.001 0.000 0.216 293 A C 2.276 179.936 177.584 0.126 0.000 1.186 293 A CA 1.552 53.610 52.037 0.034 0.000 0.620 293 A CB -0.481 18.505 19.000 -0.024 0.000 0.822 293 A HN 0.550 nan 8.150 nan 0.000 0.443 294 R N -0.556 120.029 120.500 0.142 0.000 2.066 294 R HA -0.051 4.289 4.340 0.001 0.000 0.232 294 R C 2.558 178.940 176.300 0.137 0.000 1.131 294 R CA 1.179 57.362 56.100 0.139 0.000 0.955 294 R CB -0.575 29.809 30.300 0.139 0.000 0.851 294 R HN 0.501 nan 8.270 nan 0.000 0.432 295 A N 1.276 124.185 122.820 0.149 0.000 1.873 295 A HA -0.244 4.077 4.320 0.001 0.000 0.218 295 A C 2.029 179.678 177.584 0.108 0.000 1.193 295 A CA 1.496 53.611 52.037 0.129 0.000 0.629 295 A CB -0.862 18.231 19.000 0.155 0.000 0.826 295 A HN 0.372 nan 8.150 nan 0.000 0.447 296 F N 0.509 120.466 119.950 0.011 0.000 2.065 296 F HA -0.204 4.324 4.527 0.001 0.000 0.298 296 F C 2.522 178.294 175.800 -0.047 0.000 1.112 296 F CA 2.128 60.098 58.000 -0.049 0.000 1.212 296 F CB -0.170 38.734 39.000 -0.159 0.000 0.975 296 F HN 0.257 nan 8.300 nan 0.000 0.476 297 A N -0.821 122.172 122.820 0.289 0.000 1.984 297 A HA -0.007 4.314 4.320 0.001 0.000 0.214 297 A C 1.951 179.597 177.584 0.103 0.000 1.173 297 A CA 1.072 53.242 52.037 0.223 0.000 0.673 297 A CB -0.547 18.570 19.000 0.195 0.000 0.830 297 A HN 0.496 nan 8.150 nan 0.000 0.453 298 E N 0.493 120.743 120.200 0.083 0.000 2.285 298 E HA 0.042 4.393 4.350 0.001 0.000 0.194 298 E C 0.244 176.859 176.600 0.025 0.000 0.997 298 E CA 0.116 56.550 56.400 0.056 0.000 0.845 298 E CB 0.068 29.805 29.700 0.062 0.000 0.782 298 E HN 0.409 nan 8.360 nan 0.000 0.491 299 S N 0.564 116.263 115.700 -0.002 0.000 2.568 299 S HA 0.082 4.553 4.470 0.001 0.000 0.282 299 S C 1.163 175.735 174.600 -0.047 0.000 1.338 299 S CA 0.020 58.199 58.200 -0.035 0.000 1.045 299 S CB 1.310 64.463 63.200 -0.078 0.000 0.873 299 S HN 0.331 nan 8.310 nan 0.000 0.516 300 A N 2.229 125.025 122.820 -0.039 0.000 1.940 300 A HA 0.298 4.619 4.320 0.001 0.000 0.219 300 A C 0.977 178.525 177.584 -0.060 0.000 1.176 300 A CA 1.386 53.402 52.037 -0.035 0.000 0.631 300 A CB -0.317 18.668 19.000 -0.025 0.000 0.814 300 A HN 1.166 nan 8.150 nan 0.000 0.446 301 A N -1.538 121.220 122.820 -0.103 0.000 2.466 301 A HA 0.574 4.894 4.320 0.001 0.000 0.284 301 A C -0.470 176.983 177.584 -0.219 0.000 1.049 301 A CA -0.244 51.712 52.037 -0.134 0.000 0.760 301 A CB 0.751 19.681 19.000 -0.117 0.000 1.274 301 A HN 0.082 nan 8.150 nan 0.000 0.412 302 T N 2.875 117.274 114.554 -0.259 0.000 2.823 302 T HA 0.648 4.999 4.350 0.001 0.000 0.279 302 T C -0.280 174.317 174.700 -0.171 0.000 0.998 302 T CA -0.137 61.738 62.100 -0.376 0.000 0.994 302 T CB 1.114 69.491 68.868 -0.819 0.000 0.960 302 T HN 0.716 nan 8.240 nan 0.000 0.448 303 M N 2.784 122.293 119.600 -0.153 0.000 2.259 303 M HA 0.508 4.989 4.480 0.001 0.000 0.304 303 M C -0.984 175.511 176.300 0.326 0.000 1.019 303 M CA -0.404 54.943 55.300 0.079 0.000 0.922 303 M CB 1.203 33.738 32.600 -0.109 0.000 1.600 303 M HN 0.509 nan 8.290 nan 0.000 0.433 304 S N 5.209 121.251 115.700 0.570 0.000 2.578 304 S HA 0.822 5.293 4.470 0.001 0.000 0.283 304 S C -0.929 174.044 174.600 0.622 0.000 1.195 304 S CA -0.713 57.933 58.200 0.742 0.000 1.050 304 S CB 1.298 65.141 63.200 1.070 0.000 1.012 304 S HN 0.687 nan 8.310 nan 0.000 0.511 305 L N 2.162 123.720 121.223 0.557 0.000 2.464 305 L HA 0.740 5.081 4.340 0.001 0.000 0.266 305 L C -1.228 175.884 176.870 0.404 0.000 0.965 305 L CA -0.471 54.574 54.840 0.341 0.000 0.833 305 L CB 1.562 43.765 42.059 0.240 0.000 1.296 305 L HN 0.955 nan 8.230 nan 0.000 0.405 306 W N 1.763 123.142 121.300 0.131 0.000 3.075 306 W HA 0.825 5.486 4.660 0.001 0.000 0.334 306 W C -1.079 175.491 176.519 0.085 0.000 1.243 306 W CA -0.677 56.713 57.345 0.077 0.000 1.170 306 W CB 0.906 30.400 29.460 0.057 0.000 1.452 306 W HN 0.598 nan 8.180 nan 0.000 0.572 307 C N 0.934 120.411 119.300 0.295 0.000 4.380 307 C HA 0.347 4.808 4.460 0.001 0.000 0.230 307 C C 1.648 176.787 174.990 0.249 0.000 4.272 307 C CA -0.226 58.913 59.018 0.202 0.000 1.705 307 C CB 0.294 28.139 27.740 0.175 0.000 4.970 307 C HN 0.832 nan 8.230 nan 0.000 0.486 308 M N 1.468 121.176 119.600 0.180 0.000 2.476 308 M HA 0.114 4.595 4.480 0.001 0.000 0.262 308 M C 1.790 178.167 176.300 0.127 0.000 1.079 308 M CA 1.440 56.827 55.300 0.145 0.000 1.104 308 M CB -1.916 30.742 32.600 0.097 0.000 1.409 308 M HN 0.843 nan 8.290 nan 0.000 0.467 309 G N 0.122 109.003 108.800 0.134 0.000 2.448 309 G HA2 -0.083 3.877 3.960 0.001 0.000 0.218 309 G HA3 -0.083 3.877 3.960 0.001 0.000 0.218 309 G C 1.548 176.498 174.900 0.084 0.000 1.135 309 G CA 0.206 45.369 45.100 0.105 0.000 0.784 309 G HN 0.302 nan 8.290 nan 0.000 0.543 310 I N 1.165 121.810 120.570 0.125 0.000 2.429 310 I HA 0.010 4.180 4.170 0.001 0.000 0.247 310 I C 1.998 178.164 176.117 0.082 0.000 1.099 310 I CA 0.771 62.113 61.300 0.070 0.000 1.422 310 I CB -0.808 37.216 38.000 0.040 0.000 1.112 310 I HN 0.057 nan 8.210 nan 0.000 0.430 311 N N 1.016 119.813 118.700 0.162 0.000 2.207 311 N HA -0.098 4.643 4.740 0.001 0.000 0.182 311 N C 0.909 176.467 175.510 0.081 0.000 1.020 311 N CA 0.597 53.729 53.050 0.137 0.000 0.858 311 N CB -0.339 38.263 38.487 0.190 0.000 0.991 311 N HN 0.401 nan 8.380 nan 0.000 0.427 312 Q N 1.235 121.087 119.800 0.087 0.000 3.159 312 Q HA 0.187 4.528 4.340 0.001 0.000 0.280 312 Q C -0.536 175.476 176.000 0.020 0.000 1.403 312 Q CA 0.281 56.128 55.803 0.072 0.000 0.957 312 Q CB 0.108 28.930 28.738 0.140 0.000 1.729 312 Q HN 0.041 nan 8.270 nan 0.000 0.551 313 R N -0.102 120.389 120.500 -0.016 0.000 2.604 313 R HA 0.089 4.429 4.340 0.001 0.000 0.270 313 R C 0.621 176.874 176.300 -0.079 0.000 1.052 313 R CA -0.334 55.743 56.100 -0.038 0.000 0.902 313 R CB 1.086 31.369 30.300 -0.030 0.000 1.233 313 R HN 0.253 nan 8.270 nan 0.000 0.455 314 V N -0.592 119.270 119.914 -0.087 0.000 2.867 314 V HA -0.117 4.004 4.120 0.001 0.000 0.260 314 V C 0.783 176.766 176.094 -0.185 0.000 1.099 314 V CA 1.491 63.715 62.300 -0.126 0.000 1.122 314 V CB -0.326 31.435 31.823 -0.103 0.000 0.708 314 V HN 0.630 nan 8.190 nan 0.000 0.490 315 Q N 0.257 119.970 119.800 -0.146 0.000 2.206 315 Q HA 0.333 4.673 4.340 0.001 0.000 0.265 315 Q C 1.782 177.712 176.000 -0.117 0.000 0.866 315 Q CA 0.377 56.075 55.803 -0.176 0.000 1.073 315 Q CB 0.927 29.647 28.738 -0.029 0.000 1.165 315 Q HN 0.718 nan 8.270 nan 0.000 0.465 316 G N 0.420 109.147 108.800 -0.123 0.000 2.421 316 G HA2 -0.219 3.742 3.960 0.001 0.000 0.216 316 G HA3 -0.219 3.742 3.960 0.001 0.000 0.216 316 G C 1.364 176.241 174.900 -0.040 0.000 1.171 316 G CA 0.643 45.708 45.100 -0.059 0.000 0.775 316 G HN 0.254 nan 8.290 nan 0.000 0.543 317 V N 0.577 120.446 119.914 -0.074 0.000 2.332 317 V HA -0.143 3.978 4.120 0.001 0.000 0.248 317 V C 2.574 178.738 176.094 0.116 0.000 1.055 317 V CA 1.486 63.782 62.300 -0.006 0.000 1.038 317 V CB -0.596 31.183 31.823 -0.073 0.000 0.651 317 V HN 0.237 nan 8.190 nan 0.000 0.450 318 F N 0.815 120.688 119.950 -0.128 0.000 2.060 318 F HA -0.079 4.449 4.527 0.001 0.000 0.295 318 F C 2.544 178.252 175.800 -0.153 0.000 1.120 318 F CA 0.954 58.879 58.000 -0.125 0.000 1.205 318 F CB -1.662 37.290 39.000 -0.080 0.000 0.986 318 F HN 0.128 nan 8.300 nan 0.000 0.470 319 A N 0.545 123.389 122.820 0.040 0.000 1.915 319 A HA -0.290 4.031 4.320 0.001 0.000 0.220 319 A C 2.245 179.660 177.584 -0.282 0.000 1.198 319 A CA 2.236 54.194 52.037 -0.133 0.000 0.647 319 A CB -1.202 17.717 19.000 -0.135 0.000 0.825 319 A HN 0.479 nan 8.150 nan 0.000 0.456 320 N N -0.244 118.293 118.700 -0.271 0.000 2.069 320 N HA -0.184 4.556 4.740 0.001 0.000 0.191 320 N C 1.650 176.892 175.510 -0.447 0.000 1.031 320 N CA 1.740 54.510 53.050 -0.468 0.000 0.852 320 N CB -0.468 37.933 38.487 -0.144 0.000 1.018 320 N HN 0.699 nan 8.380 nan 0.000 0.423 321 N N 0.562 119.195 118.700 -0.111 0.000 2.094 321 N HA -0.154 4.587 4.740 0.001 0.000 0.191 321 N C 1.556 177.034 175.510 -0.053 0.000 1.023 321 N CA 0.791 53.855 53.050 0.024 0.000 0.857 321 N CB -0.061 38.429 38.487 0.004 0.000 1.013 321 N HN 0.064 nan 8.380 nan 0.000 0.426 322 L N 0.664 121.790 121.223 -0.162 0.000 2.156 322 L HA -0.021 4.319 4.340 0.001 0.000 0.208 322 L C 1.826 178.591 176.870 -0.175 0.000 1.095 322 L CA 1.135 55.864 54.840 -0.185 0.000 0.770 322 L CB -0.372 41.505 42.059 -0.303 0.000 0.914 322 L HN 0.218 nan 8.230 nan 0.000 0.439 323 I N -1.450 118.940 120.570 -0.300 0.000 2.179 323 I HA -0.311 3.860 4.170 0.001 0.000 0.242 323 I C 2.448 178.584 176.117 0.031 0.000 1.088 323 I CA 1.013 62.172 61.300 -0.236 0.000 1.357 323 I CB -0.570 37.052 38.000 -0.631 0.000 1.051 323 I HN 0.318 nan 8.210 nan 0.000 0.409 324 H N 0.866 119.977 119.070 0.068 0.000 2.421 324 H HA -0.090 4.467 4.556 0.001 0.000 0.298 324 H C 2.005 177.423 175.328 0.150 0.000 1.087 324 H CA 1.164 57.346 56.048 0.223 0.000 1.330 324 H CB -0.619 29.253 29.762 0.183 0.000 1.388 324 H HN 0.378 nan 8.280 nan 0.000 0.526 325 N N 0.924 119.706 118.700 0.136 0.000 2.104 325 N HA -0.111 4.630 4.740 0.001 0.000 0.190 325 N C 2.253 177.801 175.510 0.063 0.000 1.024 325 N CA 0.646 53.723 53.050 0.046 0.000 0.853 325 N CB -0.560 37.963 38.487 0.060 0.000 1.008 325 N HN 0.311 nan 8.380 nan 0.000 0.424 326 L N 0.105 121.313 121.223 -0.025 0.000 2.046 326 L HA -0.168 4.173 4.340 0.001 0.000 0.208 326 L C 2.235 179.077 176.870 -0.047 0.000 1.077 326 L CA 1.127 55.804 54.840 -0.272 0.000 0.747 326 L CB -0.533 40.978 42.059 -0.913 0.000 0.896 326 L HN 0.342 nan 8.230 nan 0.000 0.432 327 H N -0.147 119.081 119.070 0.263 0.000 2.363 327 H HA -0.036 4.521 4.556 0.001 0.000 0.301 327 H C 2.399 177.854 175.328 0.212 0.000 1.074 327 H CA 1.343 57.605 56.048 0.356 0.000 1.354 327 H CB 0.095 30.098 29.762 0.401 0.000 1.397 327 H HN 0.321 nan 8.280 nan 0.000 0.516 328 L N -0.029 121.380 121.223 0.310 0.000 2.056 328 L HA -0.140 4.201 4.340 0.001 0.000 0.207 328 L C 2.464 179.545 176.870 0.353 0.000 1.078 328 L CA 0.572 55.594 54.840 0.303 0.000 0.749 328 L CB -0.248 41.883 42.059 0.120 0.000 0.901 328 L HN 0.123 nan 8.230 nan 0.000 0.433 329 I N -0.022 120.690 120.570 0.237 0.000 2.614 329 I HA -0.199 3.972 4.170 0.001 0.000 0.258 329 I C 2.207 178.570 176.117 0.410 0.000 1.189 329 I CA 1.632 63.118 61.300 0.310 0.000 1.462 329 I CB -0.205 37.961 38.000 0.276 0.000 1.092 329 I HN 0.340 nan 8.210 nan 0.000 0.442 330 T N -3.598 111.126 114.554 0.283 0.000 3.023 330 T HA 0.331 4.682 4.350 0.001 0.000 0.253 330 T C 1.512 176.270 174.700 0.097 0.000 1.038 330 T CA 0.221 62.459 62.100 0.230 0.000 0.962 330 T CB -0.041 68.972 68.868 0.243 0.000 1.018 330 T HN 0.406 nan 8.240 nan 0.000 0.521 331 G N 2.326 111.068 108.800 -0.097 0.000 2.225 331 G HA2 -0.247 3.714 3.960 0.001 0.000 0.267 331 G HA3 -0.247 3.714 3.960 0.001 0.000 0.267 331 G C 0.166 174.830 174.900 -0.394 0.000 1.024 331 G CA 0.024 44.669 45.100 -0.759 0.000 0.784 331 G HN 0.572 nan 8.290 nan 0.000 0.507 332 Q N -0.548 119.193 119.800 -0.099 0.000 3.184 332 Q HA 0.573 4.914 4.340 0.001 0.000 0.288 332 Q C 0.386 176.460 176.000 0.124 0.000 1.412 332 Q CA 0.370 56.179 55.803 0.010 0.000 0.991 332 Q CB 0.212 28.949 28.738 -0.001 0.000 1.688 332 Q HN 0.754 nan 8.270 nan 0.000 0.554 333 I N -1.989 118.535 120.570 -0.077 0.000 2.882 333 I HA 0.095 4.266 4.170 0.001 0.000 0.298 333 I C -0.437 175.528 176.117 -0.252 0.000 1.462 333 I CA -0.475 60.785 61.300 -0.068 0.000 1.000 333 I CB 1.815 39.851 38.000 0.060 0.000 1.340 333 I HN 0.425 nan 8.210 nan 0.000 0.462 334 C N 3.073 122.238 119.300 -0.225 0.000 4.331 334 C HA -0.176 4.285 4.460 0.001 0.000 0.293 334 C C 0.288 175.125 174.990 -0.254 0.000 1.436 334 C CA 0.750 59.544 59.018 -0.373 0.000 1.993 334 C CB -2.982 24.193 27.740 -0.941 0.000 1.266 334 C HN 0.697 nan 8.230 nan 0.000 0.795 335 R N -0.800 119.625 120.500 -0.125 0.000 2.725 335 R HA 0.551 4.892 4.340 0.001 0.000 0.277 335 R C -3.004 173.273 176.300 -0.039 0.000 0.987 335 R CA -1.923 54.158 56.100 -0.032 0.000 0.901 335 R CB 0.668 30.967 30.300 -0.001 0.000 1.207 335 R HN -0.110 nan 8.270 nan 0.000 0.463 336 P HA -0.030 nan 4.420 nan 0.000 0.261 336 P C 0.601 177.873 177.300 -0.047 0.000 1.183 336 P CA 1.448 64.529 63.100 -0.033 0.000 0.761 336 P CB 0.533 32.222 31.700 -0.018 0.000 0.785 337 G N 2.509 111.271 108.800 -0.062 0.000 2.241 337 G HA2 -0.165 3.796 3.960 0.001 0.000 0.244 337 G HA3 -0.165 3.796 3.960 0.001 0.000 0.244 337 G C 0.250 175.082 174.900 -0.112 0.000 0.998 337 G CA 0.012 45.052 45.100 -0.099 0.000 0.621 337 G HN 0.876 nan 8.290 nan 0.000 0.519 338 A N 0.512 123.293 122.820 -0.066 0.000 2.323 338 A HA 0.904 5.225 4.320 0.001 0.000 0.305 338 A C 0.147 177.742 177.584 0.020 0.000 1.275 338 A CA 0.896 52.917 52.037 -0.027 0.000 0.804 338 A CB 1.027 20.004 19.000 -0.039 0.000 1.152 338 A HN 1.777 nan 8.150 nan 0.000 0.487 339 T N -1.639 112.951 114.554 0.059 0.000 2.733 339 T HA 0.502 4.853 4.350 0.001 0.000 0.312 339 T C -0.533 174.074 174.700 -0.154 0.000 1.590 339 T CA -0.560 61.541 62.100 0.001 0.000 1.005 339 T CB 1.322 70.219 68.868 0.048 0.000 1.528 339 T HN 0.631 nan 8.240 nan 0.000 0.496 340 S N 0.643 116.247 115.700 -0.161 0.000 2.488 340 S HA 0.577 5.047 4.470 0.001 0.000 0.310 340 S C -1.358 173.465 174.600 0.370 0.000 1.093 340 S CA -0.761 57.442 58.200 0.005 0.000 1.129 340 S CB -0.858 62.492 63.200 0.250 0.000 0.989 340 S HN 0.539 nan 8.310 nan 0.000 0.479 341 F N 5.055 125.070 119.950 0.108 0.000 2.325 341 F HA 0.412 4.939 4.527 0.001 0.000 0.369 341 F C 0.433 175.819 175.800 -0.689 0.000 1.095 341 F CA -0.528 57.390 58.000 -0.135 0.000 1.082 341 F CB 0.934 39.898 39.000 -0.059 0.000 1.289 341 F HN 0.477 nan 8.300 nan 0.000 0.462 342 S N 6.731 121.764 115.700 -1.111 0.000 2.516 342 S HA 0.364 4.834 4.470 0.001 0.000 0.282 342 S C -0.355 173.844 174.600 -0.668 0.000 1.286 342 S CA -0.576 56.782 58.200 -1.402 0.000 1.066 342 S CB 0.179 62.952 63.200 -0.712 0.000 0.884 342 S HN 0.653 nan 8.310 nan 0.000 0.491 343 L N 4.843 125.779 121.223 -0.478 0.000 2.292 343 L HA 0.331 4.672 4.340 0.001 0.000 0.284 343 L C 0.503 177.346 176.870 -0.045 0.000 1.065 343 L CA -0.462 54.276 54.840 -0.170 0.000 0.806 343 L CB 1.358 43.246 42.059 -0.285 0.000 1.175 343 L HN 0.633 nan 8.230 nan 0.000 0.431 344 T N 2.290 116.903 114.554 0.099 0.000 2.767 344 T HA 0.173 4.524 4.350 0.001 0.000 0.288 344 T C 1.216 176.118 174.700 0.337 0.000 0.963 344 T CA -0.127 62.084 62.100 0.186 0.000 1.019 344 T CB 1.710 70.678 68.868 0.166 0.000 0.923 344 T HN 0.839 nan 8.240 nan 0.000 0.468 345 G N 2.565 111.533 108.800 0.280 0.000 2.480 345 G HA2 -0.112 3.849 3.960 0.001 0.000 0.216 345 G HA3 -0.112 3.849 3.960 0.001 0.000 0.216 345 G C 0.553 175.625 174.900 0.286 0.000 1.200 345 G CA 0.684 45.942 45.100 0.263 0.000 0.782 345 G HN 0.613 nan 8.290 nan 0.000 0.554 346 Q N 0.153 120.120 119.800 0.277 0.000 2.227 346 Q HA 0.208 4.549 4.340 0.001 0.000 0.245 346 Q C -1.439 174.653 176.000 0.153 0.000 0.926 346 Q CA -2.006 53.983 55.803 0.309 0.000 0.895 346 Q CB 2.096 30.981 28.738 0.245 0.000 1.230 346 Q HN 0.075 nan 8.270 nan 0.000 0.450 347 P HA -0.135 nan 4.420 nan 0.000 0.218 347 P C 0.292 177.388 177.300 -0.339 0.000 1.149 347 P CA 1.490 64.435 63.100 -0.259 0.000 0.817 347 P CB 0.423 31.716 31.700 -0.678 0.000 0.785 348 N N -1.701 116.822 118.700 -0.295 0.000 2.377 348 N HA 0.277 5.017 4.740 0.001 0.000 0.259 348 N C 1.089 176.620 175.510 0.035 0.000 1.332 348 N CA -0.034 52.931 53.050 -0.141 0.000 0.877 348 N CB -0.145 38.236 38.487 -0.176 0.000 1.299 348 N HN -0.164 nan 8.380 nan 0.000 0.501 349 A N -0.578 122.291 122.820 0.082 0.000 1.972 349 A HA -0.108 4.213 4.320 0.001 0.000 0.219 349 A C 2.223 179.899 177.584 0.154 0.000 1.169 349 A CA 1.269 53.381 52.037 0.124 0.000 0.635 349 A CB -0.660 18.425 19.000 0.142 0.000 0.810 349 A HN 0.477 nan 8.150 nan 0.000 0.446 350 C N -1.487 117.919 119.300 0.176 0.000 2.587 350 C HA 0.151 4.612 4.460 0.001 0.000 0.282 350 C C 3.067 178.229 174.990 0.287 0.000 1.277 350 C CA 0.584 59.752 59.018 0.249 0.000 1.702 350 C CB -1.466 26.434 27.740 0.268 0.000 2.113 350 C HN 0.653 nan 8.230 nan 0.000 0.490 351 G N 0.164 109.106 108.800 0.236 0.000 2.402 351 G HA2 0.060 4.021 3.960 0.001 0.000 0.216 351 G HA3 0.060 4.021 3.960 0.001 0.000 0.216 351 G C 1.761 176.729 174.900 0.114 0.000 1.162 351 G CA 1.229 46.391 45.100 0.104 0.000 0.777 351 G HN 0.593 nan 8.290 nan 0.000 0.539 352 G N -0.259 108.605 108.800 0.106 0.000 2.395 352 G HA2 0.040 4.001 3.960 0.001 0.000 0.214 352 G HA3 0.040 4.001 3.960 0.001 0.000 0.214 352 G C 1.565 176.497 174.900 0.053 0.000 1.177 352 G CA 1.380 46.531 45.100 0.084 0.000 0.794 352 G HN 0.329 nan 8.290 nan 0.000 0.532 353 V N -0.220 119.746 119.914 0.088 0.000 2.806 353 V HA 0.132 4.253 4.120 0.001 0.000 0.239 353 V C 2.664 178.805 176.094 0.078 0.000 1.113 353 V CA 0.844 63.191 62.300 0.079 0.000 1.137 353 V CB -0.103 31.785 31.823 0.108 0.000 0.865 353 V HN 0.168 nan 8.190 nan 0.000 0.482 354 R N 0.774 121.351 120.500 0.128 0.000 2.052 354 R HA -0.055 4.286 4.340 0.001 0.000 0.226 354 R C 2.045 178.429 176.300 0.139 0.000 1.145 354 R CA 1.735 57.925 56.100 0.149 0.000 0.952 354 R CB -0.471 29.956 30.300 0.212 0.000 0.847 354 R HN 0.428 nan 8.270 nan 0.000 0.431 355 D N 0.154 120.691 120.400 0.227 0.000 2.117 355 D HA -0.093 4.548 4.640 0.001 0.000 0.197 355 D C 1.813 178.243 176.300 0.216 0.000 0.987 355 D CA 1.565 55.721 54.000 0.259 0.000 0.829 355 D CB -0.536 40.509 40.800 0.408 0.000 0.961 355 D HN 0.425 nan 8.370 nan 0.000 0.460 356 G N -0.356 108.492 108.800 0.080 0.000 2.848 356 G HA2 0.193 4.154 3.960 0.001 0.000 0.208 356 G HA3 0.193 4.154 3.960 0.001 0.000 0.208 356 G C 1.148 175.890 174.900 -0.263 0.000 1.152 356 G CA 0.440 45.325 45.100 -0.357 0.000 0.789 356 G HN 0.466 nan 8.290 nan 0.000 0.531 357 G N -0.689 108.032 108.800 -0.131 0.000 2.273 357 G HA2 0.037 3.998 3.960 0.001 0.000 0.280 357 G HA3 0.037 3.998 3.960 0.001 0.000 0.280 357 G C 0.679 175.514 174.900 -0.108 0.000 1.047 357 G CA 0.290 45.309 45.100 -0.135 0.000 0.869 357 G HN 1.306 nan 8.290 nan 0.000 0.502 358 A N -0.512 122.269 122.820 -0.065 0.000 2.929 358 A HA 0.691 5.012 4.320 0.001 0.000 0.279 358 A C 0.484 178.106 177.584 0.062 0.000 1.418 358 A CA 0.117 52.142 52.037 -0.020 0.000 1.035 358 A CB 0.112 19.101 19.000 -0.018 0.000 1.047 358 A HN 0.467 nan 8.150 nan 0.000 0.609 359 L N -0.739 120.503 121.223 0.031 0.000 2.303 359 L HA 0.404 4.745 4.340 0.001 0.000 0.266 359 L C 1.850 178.778 176.870 0.097 0.000 1.011 359 L CA 0.475 55.376 54.840 0.101 0.000 0.818 359 L CB 1.524 43.641 42.059 0.096 0.000 1.326 359 L HN 0.371 nan 8.230 nan 0.000 0.435 360 S N -0.142 115.698 115.700 0.234 0.000 2.419 360 S HA -0.162 4.309 4.470 0.001 0.000 0.233 360 S C 1.196 175.927 174.600 0.218 0.000 1.016 360 S CA 1.424 59.763 58.200 0.232 0.000 0.974 360 S CB -0.525 62.839 63.200 0.272 0.000 0.786 360 S HN 0.761 nan 8.310 nan 0.000 0.492 361 H N 0.145 119.275 119.070 0.101 0.000 2.549 361 H HA 0.550 5.107 4.556 0.001 0.000 0.279 361 H C 0.303 175.673 175.328 0.069 0.000 1.018 361 H CA -0.554 55.543 56.048 0.081 0.000 1.175 361 H CB -0.384 29.427 29.762 0.080 0.000 1.485 361 H HN 0.365 nan 8.280 nan 0.000 0.543 362 L N 0.815 121.888 121.223 -0.249 0.000 2.301 362 L HA 0.543 4.884 4.340 0.001 0.000 0.264 362 L C -0.698 176.093 176.870 -0.132 0.000 1.016 362 L CA -1.067 53.618 54.840 -0.259 0.000 0.821 362 L CB 2.806 44.639 42.059 -0.376 0.000 1.346 362 L HN 0.018 nan 8.230 nan 0.000 0.429 363 L N 1.044 122.180 121.223 -0.145 0.000 2.350 363 L HA 0.545 4.886 4.340 0.001 0.000 0.260 363 L C -2.448 174.300 176.870 -0.204 0.000 1.015 363 L CA -1.900 52.842 54.840 -0.163 0.000 0.821 363 L CB 2.933 44.888 42.059 -0.175 0.000 1.370 363 L HN 0.262 nan 8.230 nan 0.000 0.416 364 P HA 0.012 nan 4.420 nan 0.000 0.266 364 P C -0.380 176.892 177.300 -0.047 0.000 1.193 364 P CA 0.321 63.346 63.100 -0.126 0.000 0.770 364 P CB 0.525 32.179 31.700 -0.076 0.000 0.836 365 A N 3.043 125.904 122.820 0.069 0.000 2.578 365 A HA 0.048 4.369 4.320 0.001 0.000 0.298 365 A C 1.365 178.591 177.584 -0.596 0.000 1.472 365 A CA 1.096 53.012 52.037 -0.203 0.000 0.734 365 A CB -2.364 16.651 19.000 0.025 0.000 1.091 365 A HN 1.111 nan 8.150 nan 0.000 0.426 366 G N -1.729 106.554 108.800 -0.862 0.000 2.176 366 G HA2 -0.266 3.694 3.960 0.001 0.000 0.253 366 G HA3 -0.266 3.694 3.960 0.001 0.000 0.253 366 G C 0.274 174.974 174.900 -0.332 0.000 0.979 366 G CA 0.924 45.675 45.100 -0.582 0.000 0.641 366 G HN 1.236 nan 8.290 nan 0.000 0.530 367 R N 0.354 120.600 120.500 -0.422 0.000 2.543 367 R HA 0.726 5.067 4.340 0.001 0.000 0.268 367 R C 0.260 176.457 176.300 -0.172 0.000 1.067 367 R CA 0.264 55.999 56.100 -0.608 0.000 1.142 367 R CB 1.106 31.057 30.300 -0.581 0.000 1.110 367 R HN 0.609 nan 8.270 nan 0.000 0.549 368 A N 1.600 124.506 122.820 0.142 0.000 2.386 368 A HA 0.327 4.647 4.320 0.001 0.000 0.311 368 A C 0.710 178.371 177.584 0.129 0.000 1.068 368 A CA -0.696 51.428 52.037 0.146 0.000 0.743 368 A CB 0.831 19.957 19.000 0.210 0.000 1.258 368 A HN 0.578 nan 8.150 nan 0.000 0.429 369 I N 1.713 122.328 120.570 0.075 0.000 2.118 369 I HA -0.128 4.043 4.170 0.001 0.000 0.241 369 I C -0.695 175.466 176.117 0.073 0.000 1.070 369 I CA 1.720 63.062 61.300 0.071 0.000 1.327 369 I CB -1.859 36.188 38.000 0.078 0.000 1.034 369 I HN 0.447 nan 8.210 nan 0.000 0.405 370 P HA -0.046 nan 4.420 nan 0.000 0.242 370 P C 0.174 177.492 177.300 0.029 0.000 1.197 370 P CA 0.575 63.709 63.100 0.056 0.000 0.765 370 P CB -0.264 31.475 31.700 0.064 0.000 0.936 371 N N 0.552 119.267 118.700 0.026 0.000 2.485 371 N HA 0.226 4.967 4.740 0.001 0.000 0.243 371 N C 1.068 176.539 175.510 -0.065 0.000 0.987 371 N CA -0.199 52.811 53.050 -0.067 0.000 0.940 371 N CB 1.026 39.387 38.487 -0.210 0.000 1.122 371 N HN -0.195 nan 8.380 nan 0.000 0.509 372 A N 4.579 127.366 122.820 -0.054 0.000 1.940 372 A HA -0.185 4.136 4.320 0.001 0.000 0.219 372 A C 1.914 179.475 177.584 -0.039 0.000 1.176 372 A CA 1.491 53.510 52.037 -0.030 0.000 0.631 372 A CB -0.187 18.800 19.000 -0.022 0.000 0.814 372 A HN 0.659 nan 8.150 nan 0.000 0.446 373 K N -0.610 119.736 120.400 -0.089 0.000 2.097 373 K HA -0.113 4.208 4.320 0.001 0.000 0.206 373 K C 1.885 178.489 176.600 0.006 0.000 1.049 373 K CA 1.575 57.821 56.287 -0.068 0.000 0.933 373 K CB -0.408 32.028 32.500 -0.107 0.000 0.717 373 K HN 0.633 nan 8.250 nan 0.000 0.442 374 H N 0.126 119.177 119.070 -0.032 0.000 2.357 374 H HA 0.066 4.623 4.556 0.001 0.000 0.301 374 H C 1.951 177.226 175.328 -0.088 0.000 1.082 374 H CA 1.177 57.189 56.048 -0.060 0.000 1.342 374 H CB 0.010 29.742 29.762 -0.051 0.000 1.389 374 H HN 0.132 nan 8.280 nan 0.000 0.511 375 R N 0.320 120.855 120.500 0.058 0.000 2.083 375 R HA -0.072 4.269 4.340 0.001 0.000 0.237 375 R C 2.500 178.788 176.300 -0.021 0.000 1.137 375 R CA 1.183 57.283 56.100 0.001 0.000 0.951 375 R CB -0.302 30.007 30.300 0.016 0.000 0.851 375 R HN 0.256 nan 8.270 nan 0.000 0.434 376 A N 1.426 124.242 122.820 -0.006 0.000 1.877 376 A HA -0.215 4.106 4.320 0.001 0.000 0.216 376 A C 1.936 179.502 177.584 -0.030 0.000 1.186 376 A CA 1.475 53.505 52.037 -0.011 0.000 0.620 376 A CB -0.442 18.555 19.000 -0.005 0.000 0.822 376 A HN 0.339 nan 8.150 nan 0.000 0.443 377 E N -1.150 119.034 120.200 -0.028 0.000 2.130 377 E HA -0.226 4.124 4.350 0.001 0.000 0.196 377 E C 1.979 178.493 176.600 -0.143 0.000 0.998 377 E CA 1.502 57.867 56.400 -0.059 0.000 0.806 377 E CB -0.208 29.476 29.700 -0.025 0.000 0.738 377 E HN 0.495 nan 8.360 nan 0.000 0.459 378 M N 0.001 119.476 119.600 -0.209 0.000 2.248 378 M HA -0.040 4.441 4.480 0.001 0.000 0.265 378 M C 1.880 178.026 176.300 -0.257 0.000 1.079 378 M CA 1.206 56.247 55.300 -0.432 0.000 1.150 378 M CB -0.617 31.619 32.600 -0.606 0.000 1.366 378 M HN 0.031 nan 8.290 nan 0.000 0.433 379 E N 0.199 120.350 120.200 -0.081 0.000 2.085 379 E HA -0.211 4.140 4.350 0.001 0.000 0.194 379 E C 2.088 178.713 176.600 0.041 0.000 0.994 379 E CA 1.137 57.558 56.400 0.035 0.000 0.801 379 E CB -0.059 29.661 29.700 0.033 0.000 0.743 379 E HN 0.366 nan 8.360 nan 0.000 0.453 380 K N 0.929 121.326 120.400 -0.005 0.000 1.978 380 K HA -0.178 4.143 4.320 0.001 0.000 0.214 380 K C 2.216 178.830 176.600 0.023 0.000 1.049 380 K CA 1.244 57.532 56.287 0.003 0.000 0.939 380 K CB -0.274 32.214 32.500 -0.020 0.000 0.721 380 K HN 0.085 nan 8.250 nan 0.000 0.441 381 L N -0.430 120.780 121.223 -0.022 0.000 2.081 381 L HA -0.216 4.125 4.340 0.001 0.000 0.212 381 L C 2.163 179.160 176.870 0.213 0.000 1.080 381 L CA 1.153 56.005 54.840 0.020 0.000 0.754 381 L CB -0.353 41.644 42.059 -0.103 0.000 0.893 381 L HN 0.405 nan 8.230 nan 0.000 0.433 382 W N -0.207 121.113 121.300 0.034 0.000 3.290 382 W HA 0.317 4.978 4.660 0.002 0.000 0.287 382 W C 1.417 177.939 176.519 0.005 0.000 1.288 382 W CA 0.331 57.695 57.345 0.031 0.000 1.725 382 W CB -0.954 28.512 29.460 0.011 0.000 1.103 382 W HN 0.238 nan 8.180 nan 0.000 0.670 383 G N 1.779 110.701 108.800 0.203 0.000 2.314 383 G HA2 -0.283 3.678 3.960 0.001 0.000 0.292 383 G HA3 -0.283 3.678 3.960 0.001 0.000 0.292 383 G C -0.181 174.773 174.900 0.090 0.000 1.059 383 G CA 0.051 45.216 45.100 0.108 0.000 0.982 383 G HN 0.168 nan 8.290 nan 0.000 0.505 384 L N -0.576 120.715 121.223 0.113 0.000 2.358 384 L HA 0.604 4.944 4.340 0.001 0.000 0.268 384 L C -1.461 175.442 176.870 0.055 0.000 1.032 384 L CA -2.604 52.286 54.840 0.084 0.000 0.805 384 L CB 0.682 42.814 42.059 0.122 0.000 1.253 384 L HN -0.071 nan 8.230 nan 0.000 0.452 385 P HA 0.025 nan 4.420 nan 0.000 0.269 385 P C -0.848 176.473 177.300 0.035 0.000 1.217 385 P CA -0.246 62.873 63.100 0.031 0.000 0.783 385 P CB 0.319 32.035 31.700 0.026 0.000 0.898 386 E N 0.586 120.802 120.200 0.027 0.000 2.392 386 E HA 0.241 4.592 4.350 0.001 0.000 0.264 386 E C 1.160 177.777 176.600 0.028 0.000 1.024 386 E CA 0.624 57.039 56.400 0.025 0.000 0.903 386 E CB -0.098 29.612 29.700 0.018 0.000 0.963 386 E HN 0.785 nan 8.360 nan 0.000 0.432 387 G N 2.566 111.384 108.800 0.030 0.000 2.184 387 G HA2 -0.395 3.566 3.960 0.001 0.000 0.264 387 G HA3 -0.395 3.566 3.960 0.001 0.000 0.264 387 G C 1.120 176.046 174.900 0.043 0.000 0.975 387 G CA 0.791 45.911 45.100 0.033 0.000 0.642 387 G HN 0.563 nan 8.290 nan 0.000 0.536 388 R N 0.553 121.083 120.500 0.050 0.000 2.091 388 R HA 0.136 4.477 4.340 0.001 0.000 0.238 388 R C 1.411 177.757 176.300 0.077 0.000 1.136 388 R CA 1.411 57.548 56.100 0.062 0.000 0.959 388 R CB -0.351 29.989 30.300 0.067 0.000 0.856 388 R HN 0.527 nan 8.270 nan 0.000 0.437 389 I N 1.832 122.451 120.570 0.083 0.000 2.471 389 I HA 0.142 4.313 4.170 0.001 0.000 0.286 389 I C 0.209 176.369 176.117 0.071 0.000 1.079 389 I CA -0.405 60.950 61.300 0.092 0.000 1.398 389 I CB 1.221 39.274 38.000 0.088 0.000 1.403 389 I HN 0.281 nan 8.210 nan 0.000 0.530 390 A N 8.901 131.768 122.820 0.077 0.000 2.425 390 A HA 0.342 4.663 4.320 0.001 0.000 0.249 390 A C -1.729 175.886 177.584 0.052 0.000 1.084 390 A CA -1.040 51.034 52.037 0.062 0.000 0.781 390 A CB -0.082 18.956 19.000 0.065 0.000 1.019 390 A HN 0.573 nan 8.150 nan 0.000 0.490 391 P HA 0.027 nan 4.420 nan 0.000 0.231 391 P C 0.145 177.467 177.300 0.037 0.000 1.168 391 P CA 0.767 63.889 63.100 0.037 0.000 0.779 391 P CB 0.186 31.903 31.700 0.029 0.000 0.844 392 E N 1.005 121.222 120.200 0.029 0.000 2.200 392 E HA 0.301 4.652 4.350 0.001 0.000 0.283 392 E C -2.488 174.127 176.600 0.025 0.000 1.015 392 E CA -3.186 53.225 56.400 0.019 0.000 0.819 392 E CB 0.200 29.896 29.700 -0.007 0.000 1.081 392 E HN -0.066 nan 8.360 nan 0.000 0.397 393 P HA 0.082 nan 4.420 nan 0.000 0.264 393 P C 0.051 177.357 177.300 0.010 0.000 1.183 393 P CA 0.268 63.414 63.100 0.077 0.000 0.763 393 P CB 0.880 32.656 31.700 0.127 0.000 0.807 394 G N 1.934 110.751 108.800 0.028 0.000 2.583 394 G HA2 0.090 4.051 3.960 0.001 0.000 0.275 394 G HA3 0.090 4.051 3.960 0.001 0.000 0.275 394 G C -0.849 174.019 174.900 -0.052 0.000 1.342 394 G CA -0.485 44.580 45.100 -0.057 0.000 1.030 394 G HN 0.396 nan 8.290 nan 0.000 0.520 395 Y N 0.510 120.843 120.300 0.055 0.000 2.465 395 Y HA 0.214 4.764 4.550 0.001 0.000 0.331 395 Y C 1.275 177.193 175.900 0.030 0.000 1.102 395 Y CA -0.275 57.806 58.100 -0.032 0.000 1.358 395 Y CB 0.105 38.510 38.460 -0.091 0.000 1.213 395 Y HN 0.681 nan 8.280 nan 0.000 0.525 396 H N -0.401 118.805 119.070 0.226 0.000 2.690 396 H HA 0.135 4.692 4.556 0.002 0.000 0.365 396 H C 1.064 176.495 175.328 0.171 0.000 1.142 396 H CA -0.127 56.031 56.048 0.183 0.000 1.417 396 H CB 0.466 30.293 29.762 0.108 0.000 1.446 396 H HN 0.700 nan 8.280 nan 0.000 0.599 397 T N 1.857 116.591 114.554 0.300 0.000 2.565 397 T HA -0.267 4.084 4.350 0.001 0.000 0.265 397 T C 2.167 176.958 174.700 0.152 0.000 1.082 397 T CA 2.233 64.472 62.100 0.232 0.000 1.173 397 T CB -0.385 68.652 68.868 0.281 0.000 0.864 397 T HN 0.495 nan 8.240 nan 0.000 0.425 398 V N 1.618 121.620 119.914 0.146 0.000 2.282 398 V HA -0.231 3.890 4.120 0.001 0.000 0.249 398 V C 2.808 178.879 176.094 -0.038 0.000 1.057 398 V CA 1.941 64.272 62.300 0.052 0.000 1.032 398 V CB -1.178 30.695 31.823 0.084 0.000 0.645 398 V HN 0.610 nan 8.190 nan 0.000 0.447 399 A N -0.753 121.925 122.820 -0.236 0.000 2.066 399 A HA -0.078 4.243 4.320 0.001 0.000 0.218 399 A C 2.067 179.448 177.584 -0.339 0.000 1.157 399 A CA 1.396 53.238 52.037 -0.326 0.000 0.670 399 A CB -0.399 18.263 19.000 -0.564 0.000 0.804 399 A HN 0.443 nan 8.150 nan 0.000 0.453 400 L N -1.544 119.526 121.223 -0.256 0.000 2.056 400 L HA 0.036 4.377 4.340 0.001 0.000 0.207 400 L C 1.969 178.541 176.870 -0.497 0.000 1.078 400 L CA 1.898 56.513 54.840 -0.375 0.000 0.749 400 L CB -0.845 41.077 42.059 -0.229 0.000 0.901 400 L HN 0.367 nan 8.230 nan 0.000 0.433 401 F N -0.148 119.610 119.950 -0.319 0.000 2.367 401 F HA -0.024 4.504 4.527 0.002 0.000 0.298 401 F C 2.332 177.978 175.800 -0.256 0.000 1.094 401 F CA 0.839 58.666 58.000 -0.289 0.000 1.409 401 F CB -0.133 38.694 39.000 -0.287 0.000 1.064 401 F HN 0.165 nan 8.300 nan 0.000 0.528 402 E N 0.214 120.340 120.200 -0.122 0.000 2.072 402 E HA -0.162 4.189 4.350 0.001 0.000 0.191 402 E C 2.415 178.866 176.600 -0.249 0.000 0.985 402 E CA 0.996 57.305 56.400 -0.151 0.000 0.801 402 E CB -0.281 29.343 29.700 -0.127 0.000 0.750 402 E HN 0.342 nan 8.360 nan 0.000 0.452 403 A N 1.205 123.766 122.820 -0.432 0.000 1.933 403 A HA -0.173 4.148 4.320 0.001 0.000 0.218 403 A C 2.186 179.511 177.584 -0.432 0.000 1.175 403 A CA 1.064 52.770 52.037 -0.552 0.000 0.628 403 A CB -0.572 17.712 19.000 -1.193 0.000 0.814 403 A HN 0.252 nan 8.150 nan 0.000 0.444 404 L N 0.038 121.005 121.223 -0.427 0.000 2.042 404 L HA -0.062 4.279 4.340 0.001 0.000 0.210 404 L C 2.341 179.034 176.870 -0.295 0.000 1.076 404 L CA 2.322 56.943 54.840 -0.366 0.000 0.749 404 L CB -0.779 41.044 42.059 -0.392 0.000 0.893 404 L HN 0.292 nan 8.230 nan 0.000 0.432 405 G N -1.142 107.541 108.800 -0.195 0.000 2.422 405 G HA2 -0.204 3.757 3.960 0.001 0.000 0.218 405 G HA3 -0.204 3.757 3.960 0.001 0.000 0.218 405 G C 1.744 176.611 174.900 -0.055 0.000 1.140 405 G CA 0.509 45.565 45.100 -0.074 0.000 0.775 405 G HN 0.371 nan 8.290 nan 0.000 0.545 406 R N -0.429 119.984 120.500 -0.144 0.000 2.193 406 R HA 0.166 4.507 4.340 0.001 0.000 0.213 406 R C 1.913 178.103 176.300 -0.183 0.000 1.055 406 R CA 0.664 56.699 56.100 -0.108 0.000 0.995 406 R CB 0.078 30.311 30.300 -0.113 0.000 0.893 406 R HN 0.439 nan 8.270 nan 0.000 0.459 407 G N 0.434 108.986 108.800 -0.413 0.000 2.184 407 G HA2 -0.203 3.758 3.960 0.001 0.000 0.206 407 G HA3 -0.203 3.758 3.960 0.001 0.000 0.206 407 G C 0.402 175.084 174.900 -0.363 0.000 0.995 407 G CA 0.244 45.011 45.100 -0.555 0.000 0.651 407 G HN 0.249 nan 8.290 nan 0.000 0.511 408 D N -0.046 120.188 120.400 -0.277 0.000 2.149 408 D HA 0.075 4.716 4.640 0.001 0.000 0.201 408 D C 1.314 177.506 176.300 -0.180 0.000 0.972 408 D CA 1.070 54.957 54.000 -0.189 0.000 0.835 408 D CB 0.232 40.963 40.800 -0.115 0.000 0.966 408 D HN 0.337 nan 8.370 nan 0.000 0.476 409 V N 1.792 121.551 119.914 -0.259 0.000 2.350 409 V HA 0.120 4.241 4.120 0.001 0.000 0.276 409 V C 1.074 177.017 176.094 -0.251 0.000 1.028 409 V CA -0.178 61.996 62.300 -0.210 0.000 0.860 409 V CB 1.833 33.506 31.823 -0.251 0.000 0.990 409 V HN -0.037 nan 8.190 nan 0.000 0.453 410 K N 2.527 122.798 120.400 -0.215 0.000 2.313 410 K HA 0.235 4.556 4.320 0.001 0.000 0.197 410 K C 0.126 176.637 176.600 -0.148 0.000 1.061 410 K CA 0.383 56.543 56.287 -0.211 0.000 0.980 410 K CB 0.583 32.941 32.500 -0.236 0.000 0.888 410 K HN 0.566 nan 8.250 nan 0.000 0.502 411 C N 1.691 120.864 119.300 -0.213 0.000 2.369 411 C HA 0.601 5.061 4.460 0.001 0.000 0.322 411 C C -0.493 174.410 174.990 -0.146 0.000 1.258 411 C CA -0.937 57.904 59.018 -0.295 0.000 1.487 411 C CB 0.630 27.826 27.740 -0.908 0.000 2.165 411 C HN 0.388 nan 8.230 nan 0.000 0.483 412 M N 4.181 123.810 119.600 0.047 0.000 2.393 412 M HA 0.649 5.130 4.480 0.001 0.000 0.299 412 M C -1.543 174.908 176.300 0.253 0.000 1.103 412 M CA -0.396 54.998 55.300 0.157 0.000 0.910 412 M CB 1.136 33.685 32.600 -0.084 0.000 1.659 412 M HN 0.637 nan 8.290 nan 0.000 0.445 413 I N 5.595 126.333 120.570 0.281 0.000 2.331 413 I HA 0.364 4.535 4.170 0.001 0.000 0.292 413 I C -0.700 175.281 176.117 -0.227 0.000 0.998 413 I CA -0.561 60.755 61.300 0.027 0.000 1.267 413 I CB 1.103 39.148 38.000 0.075 0.000 1.386 413 I HN 0.646 nan 8.210 nan 0.000 0.476 414 I N 6.097 126.559 120.570 -0.180 0.000 2.362 414 I HA 0.309 4.480 4.170 0.001 0.000 0.289 414 I C -0.581 175.383 176.117 -0.255 0.000 0.994 414 I CA -0.381 60.822 61.300 -0.162 0.000 1.158 414 I CB 1.792 39.829 38.000 0.061 0.000 1.315 414 I HN 0.574 nan 8.210 nan 0.000 0.451 415 C N 6.239 125.296 119.300 -0.404 0.000 2.381 415 C HA 0.339 4.800 4.460 0.001 0.000 0.328 415 C C 0.572 175.499 174.990 -0.105 0.000 1.190 415 C CA -0.204 58.667 59.018 -0.246 0.000 1.369 415 C CB -0.065 27.478 27.740 -0.329 0.000 2.029 415 C HN 1.018 nan 8.230 nan 0.000 0.448 416 E N 3.425 123.642 120.200 0.027 0.000 2.389 416 E HA -0.174 4.177 4.350 0.001 0.000 0.243 416 E C -0.183 176.462 176.600 0.075 0.000 1.154 416 E CA 1.194 57.658 56.400 0.106 0.000 0.723 416 E CB -0.856 28.939 29.700 0.158 0.000 1.261 416 E HN 0.940 nan 8.360 nan 0.000 0.390 417 T N -1.057 113.518 114.554 0.036 0.000 2.843 417 T HA 0.440 4.791 4.350 0.001 0.000 0.302 417 T C -0.477 174.279 174.700 0.093 0.000 1.232 417 T CA -0.964 61.161 62.100 0.042 0.000 1.009 417 T CB 1.479 70.316 68.868 -0.052 0.000 1.254 417 T HN 0.051 nan 8.240 nan 0.000 0.504 418 N N 1.858 120.614 118.700 0.094 0.000 2.813 418 N HA 0.327 5.068 4.740 0.001 0.000 0.282 418 N C -1.927 173.646 175.510 0.104 0.000 1.748 418 N CA -2.376 50.739 53.050 0.108 0.000 0.860 418 N CB 0.863 39.397 38.487 0.079 0.000 1.204 418 N HN 0.273 nan 8.380 nan 0.000 0.490 419 P HA -0.026 nan 4.420 nan 0.000 0.223 419 P C 0.857 178.107 177.300 -0.084 0.000 1.151 419 P CA 0.567 63.648 63.100 -0.032 0.000 0.787 419 P CB 0.324 31.950 31.700 -0.124 0.000 0.788 420 A N -1.085 121.760 122.820 0.041 0.000 2.168 420 A HA -0.147 4.174 4.320 0.001 0.000 0.215 420 A C 2.046 179.787 177.584 0.261 0.000 1.152 420 A CA 1.264 53.378 52.037 0.128 0.000 0.716 420 A CB -1.477 17.618 19.000 0.159 0.000 0.794 420 A HN 0.311 nan 8.150 nan 0.000 0.465 421 H N -1.331 117.786 119.070 0.078 0.000 2.545 421 H HA 0.030 4.587 4.556 0.001 0.000 0.283 421 H C 1.845 177.168 175.328 -0.008 0.000 0.997 421 H CA 1.199 57.291 56.048 0.073 0.000 1.269 421 H CB 0.593 30.406 29.762 0.085 0.000 1.451 421 H HN 0.469 nan 8.280 nan 0.000 0.508 422 T N -0.986 113.648 114.554 0.133 0.000 3.044 422 T HA 0.284 4.635 4.350 0.001 0.000 0.260 422 T C 0.373 175.017 174.700 -0.093 0.000 1.019 422 T CA -0.373 61.700 62.100 -0.045 0.000 0.921 422 T CB -0.003 68.783 68.868 -0.137 0.000 1.053 422 T HN 0.036 nan 8.240 nan 0.000 0.533 423 L N 2.870 124.036 121.223 -0.094 0.000 2.399 423 L HA 0.478 4.819 4.340 0.001 0.000 0.266 423 L C -2.121 174.722 176.870 -0.045 0.000 1.114 423 L CA -2.701 52.071 54.840 -0.114 0.000 0.804 423 L CB 1.108 42.945 42.059 -0.370 0.000 1.146 423 L HN 0.006 nan 8.230 nan 0.000 0.451 424 P HA 0.029 nan 4.420 nan 0.000 0.277 424 P C -0.580 176.646 177.300 -0.123 0.000 1.240 424 P CA -0.217 62.839 63.100 -0.074 0.000 0.798 424 P CB 0.676 32.153 31.700 -0.372 0.000 0.979 425 N N 0.780 119.438 118.700 -0.070 0.000 2.681 425 N HA -0.144 4.597 4.740 0.001 0.000 0.259 425 N C 0.728 176.128 175.510 -0.182 0.000 1.066 425 N CA 0.207 53.193 53.050 -0.107 0.000 0.717 425 N CB -1.275 37.145 38.487 -0.111 0.000 0.885 425 N HN 0.412 nan 8.380 nan 0.000 0.547 426 L N 0.162 121.247 121.223 -0.230 0.000 2.043 426 L HA -0.239 4.102 4.340 0.001 0.000 0.212 426 L C 1.984 178.521 176.870 -0.555 0.000 1.075 426 L CA 1.491 56.045 54.840 -0.478 0.000 0.752 426 L CB -0.348 41.408 42.059 -0.506 0.000 0.891 426 L HN 0.414 nan 8.230 nan 0.000 0.432 427 N N 0.335 118.867 118.700 -0.280 0.000 2.043 427 N HA -0.262 4.479 4.740 0.001 0.000 0.193 427 N C 1.746 177.191 175.510 -0.108 0.000 1.037 427 N CA 1.454 54.421 53.050 -0.138 0.000 0.851 427 N CB -0.346 38.101 38.487 -0.066 0.000 1.027 427 N HN 0.335 nan 8.380 nan 0.000 0.422 428 K N 1.122 121.451 120.400 -0.118 0.000 2.074 428 K HA -0.111 4.210 4.320 0.001 0.000 0.209 428 K C 1.802 178.343 176.600 -0.099 0.000 1.048 428 K CA 1.188 57.420 56.287 -0.092 0.000 0.926 428 K CB 0.076 32.520 32.500 -0.094 0.000 0.713 428 K HN -0.042 nan 8.250 nan 0.000 0.444 429 V N 0.342 120.151 119.914 -0.175 0.000 2.488 429 V HA -0.160 3.960 4.120 0.001 0.000 0.246 429 V C 1.849 177.882 176.094 -0.102 0.000 1.046 429 V CA 1.699 63.898 62.300 -0.170 0.000 1.053 429 V CB -0.625 31.015 31.823 -0.305 0.000 0.679 429 V HN 0.425 nan 8.190 nan 0.000 0.458 430 H N -0.081 118.893 119.070 -0.161 0.000 2.423 430 H HA -0.127 4.430 4.556 0.001 0.000 0.297 430 H C 2.382 177.675 175.328 -0.058 0.000 1.075 430 H CA 1.290 57.225 56.048 -0.188 0.000 1.342 430 H CB 0.200 29.943 29.762 -0.032 0.000 1.395 430 H HN 0.343 nan 8.280 nan 0.000 0.530 431 K N 0.662 121.119 120.400 0.096 0.000 2.001 431 K HA -0.074 4.247 4.320 0.001 0.000 0.208 431 K C 2.509 179.144 176.600 0.059 0.000 1.048 431 K CA 0.893 57.223 56.287 0.071 0.000 0.932 431 K CB -0.078 32.444 32.500 0.036 0.000 0.715 431 K HN 0.181 nan 8.250 nan 0.000 0.437 432 A N 0.961 123.799 122.820 0.031 0.000 1.927 432 A HA -0.228 4.092 4.320 0.001 0.000 0.220 432 A C 2.019 179.631 177.584 0.047 0.000 1.185 432 A CA 1.892 53.949 52.037 0.033 0.000 0.639 432 A CB -0.531 18.482 19.000 0.022 0.000 0.820 432 A HN 0.276 nan 8.150 nan 0.000 0.451 433 M N -0.839 118.769 119.600 0.013 0.000 2.595 433 M HA 0.042 4.522 4.480 0.001 0.000 0.248 433 M C 1.255 177.622 176.300 0.113 0.000 1.119 433 M CA 0.574 55.865 55.300 -0.015 0.000 1.079 433 M CB 0.190 32.620 32.600 -0.283 0.000 1.472 433 M HN 0.288 nan 8.290 nan 0.000 0.501 434 S N -1.349 114.442 115.700 0.150 0.000 2.540 434 S HA 0.064 4.535 4.470 0.001 0.000 0.218 434 S C 0.397 175.075 174.600 0.130 0.000 0.977 434 S CA -0.324 57.991 58.200 0.192 0.000 0.918 434 S CB -0.305 63.010 63.200 0.192 0.000 0.806 434 S HN 0.406 nan 8.310 nan 0.000 0.496 435 H N 4.090 123.182 119.070 0.037 0.000 3.192 435 H HA -0.001 4.556 4.556 0.001 0.000 0.295 435 H C -1.813 173.530 175.328 0.024 0.000 0.943 435 H CA -0.526 55.529 56.048 0.011 0.000 1.416 435 H CB 1.108 30.856 29.762 -0.023 0.000 1.434 435 H HN 0.116 nan 8.280 nan 0.000 0.565 436 P HA -0.063 nan 4.420 nan 0.000 0.233 436 P C 0.375 177.722 177.300 0.079 0.000 1.167 436 P CA 0.835 63.920 63.100 -0.024 0.000 0.770 436 P CB 0.516 32.160 31.700 -0.093 0.000 0.837 437 E N -0.072 120.255 120.200 0.211 0.000 2.501 437 E HA 0.089 4.440 4.350 0.001 0.000 0.200 437 E C 0.647 177.360 176.600 0.188 0.000 1.016 437 E CA 0.086 56.610 56.400 0.207 0.000 0.921 437 E CB 0.300 30.120 29.700 0.200 0.000 1.034 437 E HN 0.289 nan 8.360 nan 0.000 0.468 438 S N 0.294 116.119 115.700 0.209 0.000 2.610 438 S HA 0.467 4.937 4.470 0.001 0.000 0.273 438 S C -0.337 174.376 174.600 0.188 0.000 1.274 438 S CA -0.728 57.539 58.200 0.112 0.000 1.023 438 S CB 1.053 64.287 63.200 0.057 0.000 0.962 438 S HN 0.095 nan 8.310 nan 0.000 0.523 439 F N 2.322 122.253 119.950 -0.032 0.000 2.403 439 F HA 0.602 5.130 4.527 0.002 0.000 0.355 439 F C -1.014 174.801 175.800 0.026 0.000 1.119 439 F CA -1.476 56.526 58.000 0.002 0.000 1.007 439 F CB 0.597 39.588 39.000 -0.015 0.000 1.194 439 F HN 0.552 nan 8.300 nan 0.000 0.443 440 I N 7.095 127.448 120.570 -0.362 0.000 2.362 440 I HA 0.386 4.557 4.170 0.001 0.000 0.289 440 I C -0.953 174.897 176.117 -0.445 0.000 0.994 440 I CA -1.042 60.093 61.300 -0.275 0.000 1.158 440 I CB 1.657 39.609 38.000 -0.081 0.000 1.315 440 I HN 0.182 nan 8.210 nan 0.000 0.451 441 V N 5.668 125.396 119.914 -0.312 0.000 2.384 441 V HA 0.322 4.443 4.120 0.001 0.000 0.287 441 V C -0.276 175.744 176.094 -0.124 0.000 1.020 441 V CA -0.489 61.660 62.300 -0.253 0.000 0.850 441 V CB 1.558 33.277 31.823 -0.174 0.000 0.987 441 V HN 0.792 nan 8.190 nan 0.000 0.436 442 C N 6.262 125.502 119.300 -0.100 0.000 2.322 442 C HA 0.603 5.064 4.460 0.001 0.000 0.324 442 C C 0.231 175.199 174.990 -0.036 0.000 1.284 442 C CA -0.704 58.285 59.018 -0.049 0.000 1.606 442 C CB 0.370 28.103 27.740 -0.012 0.000 2.251 442 C HN 0.732 nan 8.230 nan 0.000 0.502 443 I N 3.734 124.295 120.570 -0.015 0.000 2.306 443 I HA 0.440 4.611 4.170 0.001 0.000 0.288 443 I C -0.200 175.953 176.117 0.060 0.000 1.036 443 I CA 0.370 61.692 61.300 0.037 0.000 1.221 443 I CB 0.643 38.695 38.000 0.085 0.000 1.385 443 I HN 0.622 nan 8.210 nan 0.000 0.472 444 E N 5.181 125.419 120.200 0.063 0.000 2.335 444 E HA 0.600 4.951 4.350 0.001 0.000 0.280 444 E C -0.716 175.915 176.600 0.052 0.000 0.918 444 E CA -0.522 55.929 56.400 0.086 0.000 0.765 444 E CB 1.971 31.717 29.700 0.077 0.000 1.218 444 E HN 0.509 nan 8.360 nan 0.000 0.425 445 A N 3.710 126.562 122.820 0.054 0.000 2.169 445 A HA 0.371 4.692 4.320 0.001 0.000 0.210 445 A C -0.173 177.100 177.584 -0.518 0.000 1.168 445 A CA 0.238 52.152 52.037 -0.205 0.000 0.813 445 A CB 0.075 18.934 19.000 -0.235 0.000 0.861 445 A HN 0.378 nan 8.150 nan 0.000 0.481 446 F N -0.594 119.364 119.950 0.015 0.000 2.539 446 F HA 0.413 4.941 4.527 0.002 0.000 0.318 446 F C -1.977 173.831 175.800 0.014 0.000 1.135 446 F CA -1.920 56.075 58.000 -0.008 0.000 0.915 446 F CB 2.512 41.503 39.000 -0.016 0.000 1.176 446 F HN -0.090 nan 8.300 nan 0.000 0.440 447 P HA -0.015 nan 4.420 nan 0.000 0.249 447 P C 0.329 177.687 177.300 0.097 0.000 1.229 447 P CA 0.661 63.817 63.100 0.093 0.000 0.788 447 P CB 0.136 31.865 31.700 0.050 0.000 1.072 448 D N -0.679 119.799 120.400 0.129 0.000 2.339 448 D HA 0.063 4.704 4.640 0.001 0.000 0.217 448 D C 0.573 176.940 176.300 0.111 0.000 1.050 448 D CA -0.237 53.822 54.000 0.100 0.000 0.856 448 D CB -0.293 40.560 40.800 0.088 0.000 0.922 448 D HN -0.025 nan 8.370 nan 0.000 0.518 449 A N 1.265 124.166 122.820 0.134 0.000 2.522 449 A HA 0.123 4.443 4.320 0.001 0.000 0.256 449 A C 1.430 179.094 177.584 0.134 0.000 1.086 449 A CA -0.305 51.817 52.037 0.142 0.000 0.763 449 A CB 0.781 19.873 19.000 0.153 0.000 1.024 449 A HN 0.085 nan 8.150 nan 0.000 0.502 450 V N 3.421 123.435 119.914 0.167 0.000 2.594 450 V HA -0.182 3.939 4.120 0.001 0.000 0.253 450 V C 2.403 178.609 176.094 0.188 0.000 1.069 450 V CA 2.925 65.316 62.300 0.153 0.000 1.082 450 V CB -0.760 31.171 31.823 0.179 0.000 0.680 450 V HN 1.032 nan 8.190 nan 0.000 0.469 451 T N 0.702 115.391 114.554 0.225 0.000 2.759 451 T HA -0.169 4.182 4.350 0.001 0.000 0.269 451 T C 1.796 176.633 174.700 0.229 0.000 1.042 451 T CA 1.723 63.991 62.100 0.279 0.000 1.140 451 T CB -0.319 68.664 68.868 0.192 0.000 0.864 451 T HN 0.426 nan 8.240 nan 0.000 0.455 452 L N 0.832 122.129 121.223 0.123 0.000 2.270 452 L HA -0.174 4.167 4.340 0.001 0.000 0.217 452 L C 2.450 179.319 176.870 -0.003 0.000 1.107 452 L CA 1.430 56.303 54.840 0.056 0.000 0.772 452 L CB -0.723 41.358 42.059 0.037 0.000 0.902 452 L HN 0.416 nan 8.230 nan 0.000 0.439 453 E N -1.023 119.142 120.200 -0.058 0.000 2.409 453 E HA -0.169 4.182 4.350 0.001 0.000 0.198 453 E C 1.294 177.614 176.600 -0.466 0.000 1.024 453 E CA 0.836 57.074 56.400 -0.270 0.000 0.861 453 E CB 0.131 29.591 29.700 -0.399 0.000 0.788 453 E HN 0.576 nan 8.360 nan 0.000 0.521 454 Y N -0.698 119.589 120.300 -0.022 0.000 2.442 454 Y HA 0.328 4.879 4.550 0.001 0.000 0.250 454 Y C 0.834 176.721 175.900 -0.020 0.000 1.113 454 Y CA -0.386 57.706 58.100 -0.013 0.000 1.273 454 Y CB 0.407 38.871 38.460 0.007 0.000 1.138 454 Y HN -0.120 nan 8.280 nan 0.000 0.522 455 A N 0.762 123.630 122.820 0.081 0.000 2.462 455 A HA 0.072 4.393 4.320 0.001 0.000 0.243 455 A C 0.718 178.277 177.584 -0.043 0.000 1.076 455 A CA 0.209 52.244 52.037 -0.003 0.000 0.773 455 A CB 0.179 19.165 19.000 -0.022 0.000 1.010 455 A HN 0.371 nan 8.150 nan 0.000 0.493 456 D N -0.109 120.221 120.400 -0.116 0.000 2.380 456 D HA 0.168 4.809 4.640 0.001 0.000 0.212 456 D C -0.186 176.064 176.300 -0.083 0.000 1.021 456 D CA 0.729 54.681 54.000 -0.078 0.000 0.884 456 D CB 0.446 41.199 40.800 -0.079 0.000 1.001 456 D HN 0.386 nan 8.370 nan 0.000 0.506 457 L N 0.700 121.809 121.223 -0.191 0.000 2.455 457 L HA 0.401 4.742 4.340 0.001 0.000 0.264 457 L C -1.751 175.035 176.870 -0.139 0.000 0.968 457 L CA -0.633 54.131 54.840 -0.126 0.000 0.827 457 L CB 2.534 44.553 42.059 -0.068 0.000 1.317 457 L HN -0.351 nan 8.230 nan 0.000 0.407 458 V N 5.470 125.307 119.914 -0.128 0.000 2.531 458 V HA 0.522 4.643 4.120 0.001 0.000 0.301 458 V C -0.419 175.556 176.094 -0.199 0.000 1.034 458 V CA -0.513 61.712 62.300 -0.125 0.000 0.865 458 V CB 1.659 33.428 31.823 -0.091 0.000 0.995 458 V HN 0.629 nan 8.190 nan 0.000 0.424 459 L N 6.614 127.726 121.223 -0.185 0.000 2.307 459 L HA 0.558 4.899 4.340 0.001 0.000 0.284 459 L C -2.476 174.339 176.870 -0.093 0.000 1.023 459 L CA -1.845 52.815 54.840 -0.300 0.000 0.810 459 L CB 2.397 44.346 42.059 -0.184 0.000 1.231 459 L HN 0.392 nan 8.230 nan 0.000 0.423 460 P HA 0.273 nan 4.420 nan 0.000 0.286 460 P C -2.710 174.748 177.300 0.264 0.000 1.321 460 P CA -1.604 61.553 63.100 0.094 0.000 0.790 460 P CB 0.764 32.515 31.700 0.085 0.000 0.897 461 P HA 0.312 nan 4.420 nan 0.000 0.285 461 P C -0.661 176.727 177.300 0.146 0.000 1.280 461 P CA -0.960 62.256 63.100 0.193 0.000 0.862 461 P CB 1.177 32.983 31.700 0.176 0.000 1.153 462 A N 1.785 124.680 122.820 0.126 0.000 2.477 462 A HA 0.338 4.658 4.320 0.001 0.000 0.246 462 A C -0.527 177.159 177.584 0.169 0.000 1.078 462 A CA -0.029 52.074 52.037 0.110 0.000 0.770 462 A CB -0.793 18.235 19.000 0.047 0.000 1.011 462 A HN 0.550 nan 8.150 nan 0.000 0.494 463 F N 4.103 124.073 119.950 0.033 0.000 2.420 463 F HA 0.524 5.051 4.527 0.001 0.000 0.342 463 F C 0.414 176.315 175.800 0.168 0.000 1.113 463 F CA -0.389 57.672 58.000 0.102 0.000 1.059 463 F CB 0.482 39.532 39.000 0.082 0.000 1.128 463 F HN 0.961 nan 8.300 nan 0.000 0.475 464 W N 4.277 125.127 121.300 -0.750 0.000 2.466 464 W HA -0.459 4.202 4.660 0.001 0.000 0.298 464 W C 1.369 177.624 176.519 -0.440 0.000 1.630 464 W CA 2.665 59.505 57.345 -0.842 0.000 1.649 464 W CB -1.584 26.980 29.460 -1.494 0.000 0.912 464 W HN 0.872 nan 8.180 nan 0.000 0.481 465 C N 0.699 119.435 119.300 -0.939 0.000 2.524 465 C HA 0.399 4.860 4.460 0.001 0.000 0.301 465 C C 1.718 176.460 174.990 -0.412 0.000 1.296 465 C CA 0.553 59.084 59.018 -0.812 0.000 1.683 465 C CB -1.627 25.425 27.740 -1.147 0.000 1.764 465 C HN 0.488 nan 8.230 nan 0.000 0.597 466 E N 1.527 121.587 120.200 -0.233 0.000 2.347 466 E HA -0.038 4.313 4.350 0.001 0.000 0.196 466 E C 1.190 177.717 176.600 -0.122 0.000 1.008 466 E CA 0.580 56.912 56.400 -0.114 0.000 0.852 466 E CB 0.194 29.896 29.700 0.004 0.000 0.783 466 E HN 0.780 nan 8.360 nan 0.000 0.505 467 R N 1.277 121.680 120.500 -0.162 0.000 2.817 467 R HA 0.193 4.534 4.340 0.001 0.000 0.268 467 R C -1.259 174.923 176.300 -0.197 0.000 1.027 467 R CA -0.814 55.200 56.100 -0.144 0.000 0.928 467 R CB 0.353 30.596 30.300 -0.094 0.000 1.228 467 R HN -0.178 nan 8.270 nan 0.000 0.469 468 D N -0.280 120.016 120.400 -0.173 0.000 2.253 468 D HA 0.648 5.289 4.640 0.001 0.000 0.249 468 D C -0.013 176.161 176.300 -0.210 0.000 1.049 468 D CA -0.383 53.495 54.000 -0.204 0.000 0.929 468 D CB 1.759 42.454 40.800 -0.175 0.000 1.176 468 D HN 0.760 nan 8.370 nan 0.000 0.437 469 G N -0.560 108.082 108.800 -0.264 0.000 2.340 469 G HA2 0.354 4.315 3.960 0.001 0.000 0.298 469 G HA3 0.354 4.315 3.960 0.001 0.000 0.298 469 G C -1.553 173.153 174.900 -0.323 0.000 1.498 469 G CA -0.818 44.122 45.100 -0.267 0.000 0.847 469 G HN 0.438 nan 8.290 nan 0.000 0.594 470 V N 0.971 120.701 119.914 -0.307 0.000 2.567 470 V HA 0.575 4.696 4.120 0.001 0.000 0.289 470 V C -0.717 175.376 176.094 -0.002 0.000 1.049 470 V CA -0.552 61.580 62.300 -0.280 0.000 0.969 470 V CB 1.311 32.794 31.823 -0.566 0.000 0.995 470 V HN 0.583 nan 8.190 nan 0.000 0.471 471 Y N 1.688 121.943 120.300 -0.075 0.000 2.409 471 Y HA 0.690 5.241 4.550 0.001 0.000 0.343 471 Y C 0.522 176.442 175.900 0.034 0.000 0.973 471 Y CA -1.567 56.534 58.100 0.003 0.000 1.064 471 Y CB 2.227 40.713 38.460 0.042 0.000 1.207 471 Y HN 0.657 nan 8.280 nan 0.000 0.452 472 G N 2.988 111.894 108.800 0.177 0.000 2.671 472 G HA2 0.472 4.433 3.960 0.001 0.000 0.318 472 G HA3 0.472 4.433 3.960 0.001 0.000 0.318 472 G C 0.100 175.150 174.900 0.250 0.000 1.250 472 G CA -0.538 44.717 45.100 0.257 0.000 1.028 472 G HN 0.896 nan 8.290 nan 0.000 0.501 473 C N 1.323 120.776 119.300 0.254 0.000 2.711 473 C HA 0.663 5.124 4.460 0.001 0.000 0.306 473 C C 2.215 177.314 174.990 0.182 0.000 1.479 473 C CA 0.208 59.364 59.018 0.229 0.000 2.271 473 C CB 0.533 28.453 27.740 0.300 0.000 2.155 473 C HN 0.712 nan 8.230 nan 0.000 0.674 474 G N -0.072 108.847 108.800 0.199 0.000 2.535 474 G HA2 -0.054 3.907 3.960 0.001 0.000 0.218 474 G HA3 -0.054 3.907 3.960 0.001 0.000 0.218 474 G C 1.117 175.933 174.900 -0.141 0.000 1.122 474 G CA 0.951 46.103 45.100 0.087 0.000 0.769 474 G HN 1.013 nan 8.290 nan 0.000 0.549 475 E N -0.907 119.117 120.200 -0.293 0.000 2.496 475 E HA 0.351 4.702 4.350 0.001 0.000 0.200 475 E C 0.912 177.273 176.600 -0.398 0.000 1.016 475 E CA -0.777 55.359 56.400 -0.439 0.000 0.962 475 E CB 0.053 29.154 29.700 -0.998 0.000 1.071 475 E HN 0.222 nan 8.360 nan 0.000 0.457 476 R N 0.050 120.370 120.500 -0.300 0.000 3.908 476 R HA -0.158 4.183 4.340 0.001 0.000 0.381 476 R C -0.168 175.985 176.300 -0.245 0.000 1.135 476 R CA 0.680 56.506 56.100 -0.457 0.000 0.990 476 R CB -1.877 27.702 30.300 -1.201 0.000 1.557 476 R HN 0.251 nan 8.270 nan 0.000 0.535 477 R N 1.418 121.916 120.500 -0.004 0.000 2.216 477 R HA 0.166 4.507 4.340 0.001 0.000 0.332 477 R C -0.808 175.742 176.300 0.416 0.000 1.056 477 R CA -0.235 55.940 56.100 0.125 0.000 0.901 477 R CB 0.425 30.796 30.300 0.119 0.000 1.039 477 R HN -0.066 nan 8.270 nan 0.000 0.456 478 Y N 1.862 122.262 120.300 0.166 0.000 2.367 478 Y HA 0.298 4.849 4.550 0.002 0.000 0.342 478 Y C 0.016 175.968 175.900 0.086 0.000 0.979 478 Y CA -0.902 57.292 58.100 0.156 0.000 1.161 478 Y CB 1.898 40.470 38.460 0.186 0.000 1.155 478 Y HN 0.463 nan 8.280 nan 0.000 0.503 479 S N 3.904 119.721 115.700 0.195 0.000 2.532 479 S HA 0.437 4.907 4.470 0.001 0.000 0.299 479 S C -1.043 173.537 174.600 -0.033 0.000 1.105 479 S CA -0.641 57.614 58.200 0.092 0.000 1.018 479 S CB 1.611 64.895 63.200 0.140 0.000 1.021 479 S HN 0.482 nan 8.310 nan 0.000 0.483 480 L N 3.535 124.692 121.223 -0.108 0.000 2.349 480 L HA 0.457 4.798 4.340 0.001 0.000 0.275 480 L C -0.001 176.771 176.870 -0.163 0.000 1.115 480 L CA 0.585 55.303 54.840 -0.203 0.000 0.820 480 L CB 0.810 42.733 42.059 -0.227 0.000 1.135 480 L HN 0.580 nan 8.230 nan 0.000 0.445 481 T N 4.903 119.321 114.554 -0.226 0.000 2.733 481 T HA 0.321 4.672 4.350 0.001 0.000 0.294 481 T C -0.108 174.440 174.700 -0.255 0.000 0.956 481 T CA -0.438 61.516 62.100 -0.244 0.000 0.987 481 T CB 0.349 69.017 68.868 -0.332 0.000 0.920 481 T HN 0.599 nan 8.240 nan 0.000 0.470 482 E N 1.972 122.042 120.200 -0.216 0.000 2.349 482 E HA 0.188 4.538 4.350 0.001 0.000 0.262 482 E C 0.213 176.673 176.600 -0.235 0.000 1.088 482 E CA -0.662 55.619 56.400 -0.198 0.000 0.899 482 E CB 0.979 30.591 29.700 -0.147 0.000 1.044 482 E HN 0.401 nan 8.360 nan 0.000 0.420 483 K N 0.824 121.104 120.400 -0.200 0.000 2.379 483 K HA 0.133 4.454 4.320 0.001 0.000 0.284 483 K C -0.113 176.373 176.600 -0.190 0.000 1.044 483 K CA 0.179 56.344 56.287 -0.203 0.000 0.974 483 K CB 0.641 33.051 32.500 -0.151 0.000 0.962 483 K HN 0.568 nan 8.250 nan 0.000 0.474 484 A N 4.237 126.921 122.820 -0.227 0.000 2.127 484 A HA 0.181 4.502 4.320 0.001 0.000 0.204 484 A C -0.056 177.434 177.584 -0.158 0.000 1.243 484 A CA 0.568 52.485 52.037 -0.201 0.000 0.887 484 A CB 0.388 19.231 19.000 -0.262 0.000 0.933 484 A HN 0.527 nan 8.150 nan 0.000 0.479 485 V N -2.920 116.906 119.914 -0.146 0.000 3.147 485 V HA 0.521 4.642 4.120 0.001 0.000 0.306 485 V C -1.841 174.207 176.094 -0.077 0.000 1.209 485 V CA -1.348 60.894 62.300 -0.097 0.000 1.023 485 V CB 1.458 33.237 31.823 -0.072 0.000 1.059 485 V HN 0.046 nan 8.190 nan 0.000 0.435 486 D N 2.984 123.352 120.400 -0.054 0.000 2.414 486 D HA 0.408 5.049 4.640 0.001 0.000 0.242 486 D C -2.428 173.862 176.300 -0.018 0.000 1.129 486 D CA -0.710 53.267 54.000 -0.038 0.000 0.885 486 D CB 1.082 41.863 40.800 -0.031 0.000 1.198 486 D HN 0.561 nan 8.370 nan 0.000 0.437 487 P HA 0.201 nan 4.420 nan 0.000 0.272 487 P C -2.378 174.932 177.300 0.018 0.000 1.223 487 P CA -1.022 62.089 63.100 0.019 0.000 0.784 487 P CB -0.103 31.612 31.700 0.025 0.000 0.923 488 P HA 0.169 nan 4.420 nan 0.000 0.281 488 P C 0.705 178.023 177.300 0.030 0.000 1.281 488 P CA 0.029 63.140 63.100 0.018 0.000 0.811 488 P CB 0.279 31.985 31.700 0.009 0.000 1.154 489 G N 0.977 109.795 108.800 0.030 0.000 2.648 489 G HA2 -0.312 3.649 3.960 0.001 0.000 0.357 489 G HA3 -0.312 3.649 3.960 0.001 0.000 0.357 489 G C 0.049 174.997 174.900 0.080 0.000 1.342 489 G CA 0.387 45.516 45.100 0.048 0.000 0.978 489 G HN 0.688 nan 8.290 nan 0.000 0.532 490 Q N 0.026 119.907 119.800 0.135 0.000 2.735 490 Q HA 0.377 4.718 4.340 0.001 0.000 0.380 490 Q C -0.446 175.750 176.000 0.327 0.000 1.060 490 Q CA -0.540 55.406 55.803 0.238 0.000 1.025 490 Q CB 0.309 29.271 28.738 0.374 0.000 1.350 490 Q HN 0.457 nan 8.270 nan 0.000 0.424 491 C N 0.974 120.381 119.300 0.179 0.000 2.369 491 C HA 0.476 4.937 4.460 0.001 0.000 0.358 491 C C 0.560 175.604 174.990 0.091 0.000 1.274 491 C CA -0.520 58.608 59.018 0.183 0.000 1.935 491 C CB 0.187 27.991 27.740 0.107 0.000 2.431 491 C HN 0.563 nan 8.230 nan 0.000 0.545 492 R N 2.506 123.062 120.500 0.094 0.000 2.740 492 R HA 0.447 4.788 4.340 0.001 0.000 0.282 492 R C -2.838 173.465 176.300 0.005 0.000 0.969 492 R CA -1.576 54.477 56.100 -0.078 0.000 0.918 492 R CB 1.353 31.406 30.300 -0.411 0.000 1.175 492 R HN 0.398 nan 8.270 nan 0.000 0.464 493 P HA -0.022 nan 4.420 nan 0.000 0.265 493 P C 0.178 177.501 177.300 0.038 0.000 1.193 493 P CA 0.319 63.422 63.100 0.005 0.000 0.765 493 P CB 0.678 32.363 31.700 -0.025 0.000 0.823 494 T N 1.602 116.207 114.554 0.085 0.000 2.915 494 T HA -0.083 4.268 4.350 0.001 0.000 0.269 494 T C 1.765 176.529 174.700 0.107 0.000 1.071 494 T CA 0.865 63.046 62.100 0.135 0.000 1.132 494 T CB -0.333 68.645 68.868 0.184 0.000 0.878 494 T HN 0.082 nan 8.240 nan 0.000 0.479 495 V N 2.621 122.573 119.914 0.063 0.000 2.252 495 V HA -0.244 3.877 4.120 0.001 0.000 0.249 495 V C 2.455 178.584 176.094 0.058 0.000 1.056 495 V CA 1.697 64.022 62.300 0.043 0.000 1.022 495 V CB -0.493 31.333 31.823 0.005 0.000 0.641 495 V HN 0.501 nan 8.190 nan 0.000 0.445 496 N N -0.190 118.528 118.700 0.030 0.000 2.142 496 N HA -0.130 4.611 4.740 0.001 0.000 0.186 496 N C 1.888 177.410 175.510 0.020 0.000 1.023 496 N CA 1.934 54.989 53.050 0.010 0.000 0.852 496 N CB -0.629 37.829 38.487 -0.049 0.000 0.998 496 N HN 0.474 nan 8.380 nan 0.000 0.424 497 T N 1.763 116.336 114.554 0.031 0.000 2.803 497 T HA -0.073 4.278 4.350 0.001 0.000 0.269 497 T C 1.823 176.645 174.700 0.204 0.000 1.052 497 T CA 0.571 62.739 62.100 0.112 0.000 1.136 497 T CB -0.053 68.937 68.868 0.204 0.000 0.864 497 T HN 0.024 nan 8.240 nan 0.000 0.467 498 L N 0.677 122.011 121.223 0.184 0.000 2.109 498 L HA 0.067 4.408 4.340 0.001 0.000 0.207 498 L C 2.581 179.564 176.870 0.189 0.000 1.086 498 L CA 1.031 56.005 54.840 0.225 0.000 0.760 498 L CB -1.176 40.963 42.059 0.132 0.000 0.910 498 L HN 0.142 nan 8.230 nan 0.000 0.437 499 V N -0.488 119.503 119.914 0.127 0.000 2.261 499 V HA -0.269 3.852 4.120 0.001 0.000 0.246 499 V C 2.587 178.716 176.094 0.059 0.000 1.047 499 V CA 1.747 64.094 62.300 0.080 0.000 1.015 499 V CB -0.415 31.462 31.823 0.090 0.000 0.642 499 V HN 0.366 nan 8.190 nan 0.000 0.446 500 E N -0.006 120.249 120.200 0.091 0.000 2.110 500 E HA -0.235 4.116 4.350 0.001 0.000 0.193 500 E C 1.877 178.576 176.600 0.165 0.000 0.988 500 E CA 1.420 57.880 56.400 0.099 0.000 0.804 500 E CB -0.457 29.299 29.700 0.093 0.000 0.745 500 E HN 0.531 nan 8.360 nan 0.000 0.458 501 F N 0.620 120.614 119.950 0.075 0.000 2.126 501 F HA -0.123 4.405 4.527 0.001 0.000 0.299 501 F C 1.910 177.744 175.800 0.057 0.000 1.096 501 F CA 1.733 59.783 58.000 0.084 0.000 1.255 501 F CB -0.903 38.150 39.000 0.087 0.000 0.997 501 F HN 0.084 nan 8.300 nan 0.000 0.479 502 A N 1.225 123.918 122.820 -0.213 0.000 1.841 502 A HA -0.146 4.175 4.320 0.001 0.000 0.214 502 A C 2.414 179.850 177.584 -0.247 0.000 1.195 502 A CA 1.637 53.438 52.037 -0.394 0.000 0.611 502 A CB -0.892 17.931 19.000 -0.294 0.000 0.835 502 A HN 0.408 nan 8.150 nan 0.000 0.443 503 R N -0.663 119.757 120.500 -0.134 0.000 2.136 503 R HA -0.231 4.109 4.340 0.001 0.000 0.242 503 R C 2.387 178.649 176.300 -0.063 0.000 1.131 503 R CA 2.206 58.255 56.100 -0.085 0.000 0.937 503 R CB -0.467 29.806 30.300 -0.045 0.000 0.863 503 R HN 0.490 nan 8.270 nan 0.000 0.435 504 R N -0.119 120.362 120.500 -0.032 0.000 2.152 504 R HA -0.072 4.269 4.340 0.001 0.000 0.232 504 R C 1.834 178.122 176.300 -0.019 0.000 1.117 504 R CA 1.293 57.397 56.100 0.006 0.000 0.981 504 R CB -0.110 30.239 30.300 0.081 0.000 0.870 504 R HN 0.240 nan 8.270 nan 0.000 0.451 505 A N -0.283 122.473 122.820 -0.108 0.000 2.337 505 A HA 0.314 4.634 4.320 0.001 0.000 0.227 505 A C 1.191 178.757 177.584 -0.029 0.000 1.259 505 A CA 0.483 52.462 52.037 -0.098 0.000 0.870 505 A CB -0.095 18.730 19.000 -0.293 0.000 0.927 505 A HN 0.395 nan 8.150 nan 0.000 0.497 506 G N -1.177 107.597 108.800 -0.044 0.000 2.143 506 G HA2 -0.208 3.752 3.960 0.001 0.000 0.249 506 G HA3 -0.208 3.752 3.960 0.001 0.000 0.249 506 G C 0.220 175.097 174.900 -0.039 0.000 0.981 506 G CA 0.136 45.220 45.100 -0.027 0.000 0.665 506 G HN 0.751 nan 8.290 nan 0.000 0.528 507 V N 1.069 120.928 119.914 -0.091 0.000 2.740 507 V HA 0.277 4.398 4.120 0.001 0.000 0.303 507 V C 0.979 176.992 176.094 -0.136 0.000 1.054 507 V CA -0.136 62.069 62.300 -0.158 0.000 1.106 507 V CB 1.407 33.035 31.823 -0.327 0.000 0.957 507 V HN 0.407 nan 8.190 nan 0.000 0.486 508 D N 6.345 126.670 120.400 -0.125 0.000 2.451 508 D HA 0.066 4.707 4.640 0.001 0.000 0.254 508 D C -1.522 174.697 176.300 -0.136 0.000 1.204 508 D CA -1.550 52.386 54.000 -0.108 0.000 0.896 508 D CB 1.489 42.235 40.800 -0.090 0.000 1.136 508 D HN 0.264 nan 8.370 nan 0.000 0.499 509 P HA -0.117 nan 4.420 nan 0.000 0.228 509 P C 1.004 178.201 177.300 -0.170 0.000 1.151 509 P CA 0.699 63.718 63.100 -0.135 0.000 0.770 509 P CB 0.198 31.839 31.700 -0.099 0.000 0.786 510 Q N -0.840 118.869 119.800 -0.153 0.000 2.331 510 Q HA -0.040 4.301 4.340 0.001 0.000 0.203 510 Q C 1.502 177.369 176.000 -0.222 0.000 0.944 510 Q CA 0.643 56.347 55.803 -0.164 0.000 0.892 510 Q CB -0.241 28.435 28.738 -0.103 0.000 0.983 510 Q HN 0.175 nan 8.270 nan 0.000 0.482 511 L N -0.162 120.925 121.223 -0.227 0.000 2.156 511 L HA -0.091 4.250 4.340 0.001 0.000 0.208 511 L C 1.468 178.113 176.870 -0.376 0.000 1.095 511 L CA 1.082 55.755 54.840 -0.279 0.000 0.770 511 L CB 0.019 41.918 42.059 -0.266 0.000 0.914 511 L HN 0.098 nan 8.230 nan 0.000 0.439 512 V N -3.243 116.439 119.914 -0.388 0.000 2.737 512 V HA 0.361 4.482 4.120 0.001 0.000 0.320 512 V C 0.279 175.991 176.094 -0.636 0.000 1.174 512 V CA -0.632 61.419 62.300 -0.416 0.000 1.355 512 V CB -0.366 31.360 31.823 -0.160 0.000 1.558 512 V HN 0.223 nan 8.190 nan 0.000 0.618 513 N N 2.324 120.404 118.700 -1.034 0.000 3.245 513 N HA 0.473 5.214 4.740 0.001 0.000 0.296 513 N C -1.170 173.948 175.510 -0.654 0.000 1.254 513 N CA -0.167 52.482 53.050 -0.670 0.000 1.190 513 N CB -0.303 37.929 38.487 -0.424 0.000 1.460 513 N HN 0.639 nan 8.380 nan 0.000 0.538 514 F N -0.562 119.380 119.950 -0.013 0.000 2.557 514 F HA 0.411 4.939 4.527 0.002 0.000 0.316 514 F C 1.147 176.942 175.800 -0.009 0.000 1.141 514 F CA -1.061 56.937 58.000 -0.002 0.000 0.922 514 F CB 1.877 40.880 39.000 0.005 0.000 1.194 514 F HN 0.012 nan 8.300 nan 0.000 0.443 515 R N 0.816 121.415 120.500 0.166 0.000 2.112 515 R HA 0.117 4.458 4.340 0.001 0.000 0.216 515 R C -0.190 176.150 176.300 0.068 0.000 1.080 515 R CA 0.683 56.832 56.100 0.082 0.000 0.996 515 R CB -0.019 30.308 30.300 0.046 0.000 0.902 515 R HN 0.721 nan 8.270 nan 0.000 0.449 516 N N -1.744 117.003 118.700 0.078 0.000 2.697 516 N HA 0.337 5.077 4.740 0.001 0.000 0.272 516 N C -0.079 175.441 175.510 0.016 0.000 1.381 516 N CA -0.306 52.762 53.050 0.030 0.000 0.797 516 N CB 0.662 39.155 38.487 0.009 0.000 1.523 516 N HN -0.123 nan 8.380 nan 0.000 0.518 517 A N -0.453 122.354 122.820 -0.022 0.000 1.972 517 A HA -0.200 4.121 4.320 0.001 0.000 0.219 517 A C 1.819 179.400 177.584 -0.005 0.000 1.169 517 A CA 1.810 53.821 52.037 -0.043 0.000 0.635 517 A CB -1.015 17.946 19.000 -0.065 0.000 0.810 517 A HN 0.872 nan 8.150 nan 0.000 0.446 518 E N -0.041 120.164 120.200 0.008 0.000 2.077 518 E HA -0.248 4.103 4.350 0.001 0.000 0.193 518 E C 1.265 177.935 176.600 0.117 0.000 0.989 518 E CA 1.395 57.831 56.400 0.061 0.000 0.800 518 E CB -0.141 29.574 29.700 0.026 0.000 0.746 518 E HN 0.533 nan 8.360 nan 0.000 0.452 519 D N 0.114 120.574 120.400 0.100 0.000 2.133 519 D HA -0.178 4.463 4.640 0.001 0.000 0.195 519 D C 1.983 178.353 176.300 0.116 0.000 0.997 519 D CA 1.425 55.529 54.000 0.175 0.000 0.840 519 D CB -0.376 40.599 40.800 0.293 0.000 0.947 519 D HN 0.238 nan 8.370 nan 0.000 0.452 520 V N 0.049 119.847 119.914 -0.194 0.000 2.667 520 V HA -0.100 4.020 4.120 0.001 0.000 0.252 520 V C 1.915 177.839 176.094 -0.283 0.000 1.065 520 V CA 1.148 63.049 62.300 -0.665 0.000 1.083 520 V CB -0.380 30.810 31.823 -1.056 0.000 0.692 520 V HN 0.358 nan 8.190 nan 0.000 0.468 521 W N 1.186 122.372 121.300 -0.191 0.000 2.355 521 W HA -0.202 4.459 4.660 0.001 0.000 0.309 521 W C 2.163 178.684 176.519 0.004 0.000 1.206 521 W CA 1.876 59.205 57.345 -0.027 0.000 1.284 521 W CB -0.327 29.133 29.460 -0.000 0.000 1.145 521 W HN 0.404 nan 8.180 nan 0.000 0.502 522 N N 0.762 119.478 118.700 0.027 0.000 2.223 522 N HA -0.216 4.525 4.740 0.001 0.000 0.185 522 N C 1.604 177.099 175.510 -0.024 0.000 1.016 522 N CA 1.777 54.789 53.050 -0.064 0.000 0.863 522 N CB -0.785 37.721 38.487 0.032 0.000 0.983 522 N HN 0.454 nan 8.380 nan 0.000 0.429 523 E N 0.143 120.364 120.200 0.034 0.000 2.047 523 E HA -0.159 4.192 4.350 0.001 0.000 0.191 523 E C 1.843 178.471 176.600 0.046 0.000 0.987 523 E CA 0.644 57.115 56.400 0.119 0.000 0.799 523 E CB -0.164 29.706 29.700 0.285 0.000 0.752 523 E HN 0.504 nan 8.360 nan 0.000 0.449 524 W N 1.480 122.486 121.300 -0.491 0.000 2.358 524 W HA -0.222 4.439 4.660 0.001 0.000 0.303 524 W C 2.096 178.314 176.519 -0.501 0.000 1.208 524 W CA 0.735 57.791 57.345 -0.481 0.000 1.274 524 W CB 0.005 29.095 29.460 -0.616 0.000 1.138 524 W HN 0.044 nan 8.180 nan 0.000 0.515 525 R N -0.020 120.031 120.500 -0.749 0.000 2.094 525 R HA -0.285 4.056 4.340 0.001 0.000 0.239 525 R C 2.452 178.518 176.300 -0.390 0.000 1.137 525 R CA 2.265 57.773 56.100 -0.987 0.000 0.943 525 R CB -1.010 28.886 30.300 -0.674 0.000 0.850 525 R HN 0.313 nan 8.270 nan 0.000 0.433 526 M N 0.613 120.222 119.600 0.016 0.000 2.080 526 M HA -0.154 4.327 4.480 0.001 0.000 0.260 526 M C 1.922 178.186 176.300 -0.059 0.000 1.068 526 M CA 1.666 57.022 55.300 0.093 0.000 1.109 526 M CB 0.064 32.775 32.600 0.185 0.000 1.342 526 M HN 0.012 nan 8.290 nan 0.000 0.405 527 V N 0.502 120.435 119.914 0.032 0.000 2.913 527 V HA -0.177 3.944 4.120 0.001 0.000 0.260 527 V C 2.426 178.486 176.094 -0.056 0.000 1.098 527 V CA 1.791 64.143 62.300 0.086 0.000 1.121 527 V CB -0.838 31.235 31.823 0.415 0.000 0.714 527 V HN 0.736 nan 8.190 nan 0.000 0.487 528 S N -0.964 114.534 115.700 -0.335 0.000 2.486 528 S HA 0.018 4.489 4.470 0.001 0.000 0.220 528 S C 1.147 175.535 174.600 -0.353 0.000 1.011 528 S CA -0.033 57.871 58.200 -0.494 0.000 0.921 528 S CB -0.117 62.381 63.200 -1.170 0.000 0.785 528 S HN 0.557 nan 8.310 nan 0.000 0.517 529 K N 1.279 121.480 120.400 -0.332 0.000 2.484 529 K HA 0.286 4.607 4.320 0.001 0.000 0.280 529 K C 1.207 177.671 176.600 -0.227 0.000 1.013 529 K CA 1.068 57.182 56.287 -0.289 0.000 1.029 529 K CB -0.283 31.967 32.500 -0.416 0.000 0.902 529 K HN 0.503 nan 8.250 nan 0.000 0.481 530 G N 2.427 111.115 108.800 -0.187 0.000 2.253 530 G HA2 -0.326 3.635 3.960 0.001 0.000 0.251 530 G HA3 -0.326 3.635 3.960 0.001 0.000 0.251 530 G C 0.300 175.146 174.900 -0.091 0.000 0.998 530 G CA 0.620 45.638 45.100 -0.138 0.000 0.621 530 G HN 0.890 nan 8.290 nan 0.000 0.524 531 T N -1.387 113.121 114.554 -0.077 0.000 2.788 531 T HA 0.500 4.851 4.350 0.001 0.000 0.287 531 T C 1.712 176.432 174.700 0.033 0.000 1.007 531 T CA 1.178 63.280 62.100 0.003 0.000 1.005 531 T CB 1.222 70.112 68.868 0.036 0.000 1.012 531 T HN 1.035 nan 8.240 nan 0.000 0.530 532 T N -2.121 112.506 114.554 0.122 0.000 3.160 532 T HA 0.055 4.406 4.350 0.001 0.000 0.257 532 T C 0.724 175.455 174.700 0.051 0.000 1.147 532 T CA 0.245 62.390 62.100 0.074 0.000 1.064 532 T CB -0.830 68.135 68.868 0.160 0.000 0.949 532 T HN 0.712 nan 8.240 nan 0.000 0.526 533 Y N 1.194 121.464 120.300 -0.050 0.000 2.532 533 Y HA 0.311 4.862 4.550 0.002 0.000 0.283 533 Y C 0.909 176.662 175.900 -0.245 0.000 1.181 533 Y CA -1.263 56.636 58.100 -0.335 0.000 1.256 533 Y CB -0.004 38.185 38.460 -0.450 0.000 1.112 533 Y HN 0.193 nan 8.280 nan 0.000 0.521 534 D N 1.211 121.603 120.400 -0.013 0.000 2.417 534 D HA -0.070 4.571 4.640 0.001 0.000 0.250 534 D C -0.034 176.267 176.300 0.002 0.000 1.166 534 D CA 0.216 54.155 54.000 -0.101 0.000 0.881 534 D CB 0.441 41.181 40.800 -0.100 0.000 1.164 534 D HN 0.354 nan 8.370 nan 0.000 0.467 535 F N 3.020 122.854 119.950 -0.194 0.000 2.837 535 F HA 0.252 4.780 4.527 0.001 0.000 0.328 535 F C 1.349 177.102 175.800 -0.080 0.000 1.173 535 F CA -1.166 56.756 58.000 -0.130 0.000 1.160 535 F CB -0.797 38.095 39.000 -0.180 0.000 1.115 535 F HN 0.402 nan 8.300 nan 0.000 0.512 536 W N 2.498 123.518 121.300 -0.466 0.000 2.276 536 W HA -0.264 4.397 4.660 0.001 0.000 0.307 536 W C 1.614 178.072 176.519 -0.102 0.000 1.240 536 W CA 2.490 59.637 57.345 -0.330 0.000 1.249 536 W CB -0.509 28.793 29.460 -0.264 0.000 1.140 536 W HN 0.347 nan 8.180 nan 0.000 0.519 537 G N 0.409 109.237 108.800 0.046 0.000 2.708 537 G HA2 -0.105 3.855 3.960 0.001 0.000 0.210 537 G HA3 -0.105 3.855 3.960 0.001 0.000 0.210 537 G C 0.807 175.740 174.900 0.056 0.000 1.141 537 G CA -0.018 45.099 45.100 0.028 0.000 0.788 537 G HN 0.185 nan 8.290 nan 0.000 0.531 538 M N 3.057 122.745 119.600 0.147 0.000 3.117 538 M HA 0.171 4.652 4.480 0.001 0.000 0.292 538 M C 0.315 176.828 176.300 0.356 0.000 1.357 538 M CA -0.302 55.183 55.300 0.308 0.000 1.463 538 M CB 0.243 33.170 32.600 0.544 0.000 1.105 538 M HN 0.081 nan 8.290 nan 0.000 0.553 539 T N -2.002 112.630 114.554 0.130 0.000 2.898 539 T HA 0.282 4.633 4.350 0.001 0.000 0.301 539 T C 1.386 176.162 174.700 0.127 0.000 1.049 539 T CA -0.711 61.440 62.100 0.085 0.000 1.095 539 T CB 1.576 70.415 68.868 -0.048 0.000 0.976 539 T HN 0.478 nan 8.240 nan 0.000 0.539 540 R N 0.794 121.353 120.500 0.099 0.000 2.139 540 R HA -0.132 4.209 4.340 0.001 0.000 0.243 540 R C 2.262 178.541 176.300 -0.035 0.000 1.145 540 R CA 1.695 57.776 56.100 -0.031 0.000 0.976 540 R CB -0.550 29.723 30.300 -0.045 0.000 0.866 540 R HN 0.909 nan 8.270 nan 0.000 0.449 541 E N 0.515 120.708 120.200 -0.011 0.000 2.058 541 E HA -0.189 4.162 4.350 0.001 0.000 0.194 541 E C 2.055 178.651 176.600 -0.008 0.000 0.997 541 E CA 1.136 57.528 56.400 -0.014 0.000 0.801 541 E CB 0.116 29.809 29.700 -0.011 0.000 0.746 541 E HN 0.264 nan 8.360 nan 0.000 0.450 542 R N -0.233 120.273 120.500 0.010 0.000 2.066 542 R HA -0.117 4.224 4.340 0.001 0.000 0.232 542 R C 2.351 178.661 176.300 0.017 0.000 1.131 542 R CA 0.812 56.926 56.100 0.023 0.000 0.955 542 R CB -0.216 30.113 30.300 0.048 0.000 0.851 542 R HN 0.171 nan 8.270 nan 0.000 0.432 543 L N 0.934 122.162 121.223 0.008 0.000 2.191 543 L HA -0.112 4.229 4.340 0.001 0.000 0.212 543 L C 2.206 179.041 176.870 -0.059 0.000 1.103 543 L CA 1.532 56.352 54.840 -0.032 0.000 0.769 543 L CB -0.616 41.380 42.059 -0.105 0.000 0.908 543 L HN 0.096 nan 8.230 nan 0.000 0.438 544 R N -0.065 120.399 120.500 -0.059 0.000 2.066 544 R HA -0.166 4.175 4.340 0.001 0.000 0.232 544 R C 2.198 178.478 176.300 -0.034 0.000 1.131 544 R CA 1.596 57.661 56.100 -0.057 0.000 0.955 544 R CB -0.243 30.025 30.300 -0.054 0.000 0.851 544 R HN 0.467 nan 8.270 nan 0.000 0.432 545 K N 0.443 120.831 120.400 -0.020 0.000 2.076 545 K HA 0.009 4.329 4.320 0.001 0.000 0.204 545 K C 0.488 177.085 176.600 -0.005 0.000 1.051 545 K CA 0.834 57.115 56.287 -0.011 0.000 0.949 545 K CB 0.086 32.582 32.500 -0.006 0.000 0.726 545 K HN -0.039 nan 8.250 nan 0.000 0.443 546 E N 1.363 121.565 120.200 0.003 0.000 2.314 546 E HA 0.129 4.479 4.350 0.001 0.000 0.262 546 E C -0.570 176.038 176.600 0.012 0.000 1.093 546 E CA -0.261 56.147 56.400 0.013 0.000 0.908 546 E CB 1.660 31.378 29.700 0.029 0.000 1.091 546 E HN 0.086 nan 8.360 nan 0.000 0.425 547 S N 0.731 116.443 115.700 0.021 0.000 3.700 547 S HA 0.430 4.901 4.470 0.001 0.000 0.192 547 S C 0.180 174.819 174.600 0.064 0.000 1.430 547 S CA -0.007 58.211 58.200 0.029 0.000 0.999 547 S CB -0.139 63.071 63.200 0.017 0.000 1.411 547 S HN 0.710 nan 8.310 nan 0.000 0.491 548 G N 1.597 110.441 108.800 0.073 0.000 2.777 548 G HA2 -0.134 3.827 3.960 0.001 0.000 0.686 548 G HA3 -0.134 3.827 3.960 0.001 0.000 0.686 548 G C -1.123 173.837 174.900 0.099 0.000 1.177 548 G CA -1.061 44.106 45.100 0.112 0.000 0.775 548 G HN 0.494 nan 8.290 nan 0.000 0.613 549 L N 1.617 122.912 121.223 0.121 0.000 2.346 549 L HA 0.671 5.012 4.340 0.001 0.000 0.274 549 L C 0.556 177.452 176.870 0.042 0.000 1.007 549 L CA -1.136 53.759 54.840 0.092 0.000 0.818 549 L CB 2.052 44.184 42.059 0.123 0.000 1.284 549 L HN 0.530 nan 8.230 nan 0.000 0.424 550 I N 2.644 123.203 120.570 -0.019 0.000 2.312 550 I HA 0.169 4.340 4.170 0.001 0.000 0.290 550 I C -0.140 175.897 176.117 -0.135 0.000 1.008 550 I CA -0.530 60.680 61.300 -0.151 0.000 1.226 550 I CB 0.718 38.599 38.000 -0.197 0.000 1.371 550 I HN 0.576 nan 8.210 nan 0.000 0.468 551 W N 7.289 128.419 121.300 -0.283 0.000 2.150 551 W HA 0.416 5.077 4.660 0.002 0.000 0.341 551 W C -2.900 173.499 176.519 -0.200 0.000 1.276 551 W CA -2.501 54.694 57.345 -0.249 0.000 1.238 551 W CB -0.479 28.759 29.460 -0.371 0.000 1.128 551 W HN 0.210 nan 8.180 nan 0.000 0.581 552 P HA 0.076 nan 4.420 nan 0.000 0.271 552 P C -0.567 176.752 177.300 0.032 0.000 1.216 552 P CA -0.061 63.148 63.100 0.181 0.000 0.771 552 P CB 0.816 32.561 31.700 0.075 0.000 0.864 553 C N 6.026 125.346 119.300 0.033 0.000 3.430 553 C HA 0.357 4.818 4.460 0.001 0.000 0.268 553 C C -2.128 172.866 174.990 0.007 0.000 1.101 553 C CA -1.540 57.489 59.018 0.018 0.000 1.286 553 C CB 0.191 28.034 27.740 0.172 0.000 1.795 553 C HN 0.477 nan 8.230 nan 0.000 0.569 554 P HA 0.150 nan 4.420 nan 0.000 0.257 554 P C 0.007 177.391 177.300 0.140 0.000 1.281 554 P CA 0.737 63.839 63.100 0.002 0.000 0.826 554 P CB 0.126 31.771 31.700 -0.093 0.000 1.237 555 S N -2.049 113.738 115.700 0.145 0.000 2.565 555 S HA 0.322 4.792 4.470 0.001 0.000 0.269 555 S C 0.491 175.178 174.600 0.145 0.000 1.153 555 S CA -0.817 57.493 58.200 0.184 0.000 0.835 555 S CB 1.220 64.520 63.200 0.167 0.000 1.122 555 S HN -0.193 nan 8.310 nan 0.000 0.462 556 E N 0.625 120.885 120.200 0.101 0.000 2.409 556 E HA -0.112 4.239 4.350 0.001 0.000 0.198 556 E C 0.538 177.183 176.600 0.076 0.000 1.024 556 E CA 1.271 57.710 56.400 0.064 0.000 0.861 556 E CB -0.109 29.610 29.700 0.032 0.000 0.788 556 E HN 0.714 nan 8.360 nan 0.000 0.521 557 D N -1.148 119.311 120.400 0.097 0.000 2.407 557 D HA -0.080 4.561 4.640 0.001 0.000 0.208 557 D C 0.446 176.796 176.300 0.083 0.000 1.083 557 D CA -0.053 53.992 54.000 0.075 0.000 0.844 557 D CB -0.223 40.614 40.800 0.060 0.000 0.967 557 D HN 0.064 nan 8.370 nan 0.000 0.506 558 H N 2.049 121.143 119.070 0.041 0.000 2.646 558 H HA 0.145 4.702 4.556 0.001 0.000 0.325 558 H C -1.544 173.803 175.328 0.032 0.000 1.075 558 H CA -1.094 54.976 56.048 0.037 0.000 1.421 558 H CB 2.011 31.801 29.762 0.047 0.000 1.461 558 H HN -0.099 nan 8.280 nan 0.000 0.525 559 P HA 0.107 nan 4.420 nan 0.000 0.241 559 P C 0.391 177.707 177.300 0.026 0.000 1.191 559 P CA 0.872 63.920 63.100 -0.088 0.000 0.771 559 P CB 0.707 32.318 31.700 -0.150 0.000 0.929 560 G N -0.882 108.044 108.800 0.210 0.000 2.566 560 G HA2 -0.068 3.893 3.960 0.001 0.000 0.599 560 G HA3 -0.068 3.893 3.960 0.001 0.000 0.599 560 G C -1.144 173.859 174.900 0.170 0.000 1.292 560 G CA -0.666 44.574 45.100 0.234 0.000 0.922 560 G HN 0.122 nan 8.290 nan 0.000 0.514 561 T N 0.581 115.167 114.554 0.054 0.000 2.840 561 T HA 0.627 4.978 4.350 0.001 0.000 0.287 561 T C 1.361 175.985 174.700 -0.128 0.000 0.991 561 T CA 0.414 62.505 62.100 -0.015 0.000 0.964 561 T CB 1.514 70.355 68.868 -0.045 0.000 0.954 561 T HN 1.429 nan 8.240 nan 0.000 0.438 562 S N 3.547 119.183 115.700 -0.106 0.000 2.355 562 S HA 0.196 4.667 4.470 0.001 0.000 0.216 562 S C 0.640 175.136 174.600 -0.173 0.000 1.037 562 S CA 0.029 58.145 58.200 -0.139 0.000 0.955 562 S CB -0.317 62.825 63.200 -0.096 0.000 0.877 562 S HN 0.546 nan 8.310 nan 0.000 0.488 563 L N 2.829 123.972 121.223 -0.135 0.000 2.283 563 L HA 0.461 4.802 4.340 0.001 0.000 0.281 563 L C 0.054 176.805 176.870 -0.198 0.000 1.033 563 L CA -0.552 54.194 54.840 -0.156 0.000 0.848 563 L CB 0.898 42.907 42.059 -0.083 0.000 1.226 563 L HN 0.091 nan 8.230 nan 0.000 0.429 564 R N 2.383 122.660 120.500 -0.372 0.000 2.694 564 R HA 0.146 4.486 4.340 0.001 0.000 0.268 564 R C -0.302 175.728 176.300 -0.450 0.000 1.061 564 R CA -0.124 55.653 56.100 -0.539 0.000 1.133 564 R CB 0.179 29.842 30.300 -1.060 0.000 1.020 564 R HN 0.457 nan 8.270 nan 0.000 0.475 565 Y N -2.645 117.607 120.300 -0.080 0.000 4.936 565 Y HA -0.210 4.340 4.550 0.001 0.000 0.266 565 Y C -0.465 175.395 175.900 -0.066 0.000 0.909 565 Y CA -0.236 57.745 58.100 -0.197 0.000 1.828 565 Y CB -2.063 36.147 38.460 -0.417 0.000 1.283 565 Y HN 0.281 nan 8.280 nan 0.000 0.511 566 V N 1.691 121.696 119.914 0.151 0.000 2.384 566 V HA 0.343 4.464 4.120 0.001 0.000 0.287 566 V C 0.781 177.002 176.094 0.213 0.000 1.020 566 V CA -1.225 61.225 62.300 0.250 0.000 0.850 566 V CB 1.755 33.683 31.823 0.174 0.000 0.987 566 V HN 0.210 nan 8.190 nan 0.000 0.436 567 R N 3.093 123.729 120.500 0.226 0.000 2.585 567 R HA 0.334 4.675 4.340 0.001 0.000 0.275 567 R C 1.338 177.712 176.300 0.123 0.000 1.018 567 R CA 1.412 57.612 56.100 0.166 0.000 1.072 567 R CB 0.139 30.533 30.300 0.157 0.000 0.953 567 R HN 1.119 nan 8.270 nan 0.000 0.419 568 G N 2.581 111.442 108.800 0.101 0.000 2.336 568 G HA2 -0.281 3.680 3.960 0.001 0.000 0.233 568 G HA3 -0.281 3.680 3.960 0.001 0.000 0.233 568 G C 0.736 175.677 174.900 0.069 0.000 1.053 568 G CA 0.300 45.445 45.100 0.075 0.000 0.625 568 G HN 0.592 nan 8.290 nan 0.000 0.511 569 Q N 0.246 120.092 119.800 0.078 0.000 2.287 569 Q HA 0.188 4.529 4.340 0.001 0.000 0.201 569 Q C 0.446 176.490 176.000 0.073 0.000 0.946 569 Q CA 0.940 56.776 55.803 0.056 0.000 0.868 569 Q CB 0.052 28.811 28.738 0.035 0.000 0.967 569 Q HN 0.541 nan 8.270 nan 0.000 0.516 570 D N 2.266 122.716 120.400 0.083 0.000 2.317 570 D HA 0.117 4.758 4.640 0.001 0.000 0.234 570 D C -1.754 174.599 176.300 0.088 0.000 1.112 570 D CA -2.150 51.897 54.000 0.079 0.000 0.840 570 D CB 1.710 42.564 40.800 0.090 0.000 1.078 570 D HN -0.097 nan 8.370 nan 0.000 0.486 571 P HA -0.033 nan 4.420 nan 0.000 0.230 571 P C 1.079 178.352 177.300 -0.045 0.000 1.158 571 P CA 0.260 63.378 63.100 0.030 0.000 0.769 571 P CB 0.121 31.800 31.700 -0.035 0.000 0.807 572 C N -0.553 118.684 119.300 -0.105 0.000 2.500 572 C HA 0.073 4.534 4.460 0.001 0.000 0.273 572 C C 1.314 176.120 174.990 -0.307 0.000 1.428 572 C CA 0.055 58.882 59.018 -0.319 0.000 1.766 572 C CB -1.036 26.336 27.740 -0.613 0.000 1.817 572 C HN 0.037 nan 8.230 nan 0.000 0.543 573 V N 3.113 123.015 119.914 -0.019 0.000 2.368 573 V HA 0.212 4.333 4.120 0.001 0.000 0.266 573 V C -2.158 174.015 176.094 0.131 0.000 1.045 573 V CA -1.273 61.129 62.300 0.170 0.000 0.899 573 V CB 0.427 32.410 31.823 0.267 0.000 1.006 573 V HN 0.183 nan 8.190 nan 0.000 0.470 574 P HA 0.023 nan 4.420 nan 0.000 0.262 574 P C 0.812 178.184 177.300 0.121 0.000 1.182 574 P CA 0.241 63.411 63.100 0.116 0.000 0.761 574 P CB 0.741 32.520 31.700 0.132 0.000 0.795 575 A N 4.015 126.887 122.820 0.086 0.000 2.032 575 A HA -0.206 4.115 4.320 0.001 0.000 0.221 575 A C 1.427 179.054 177.584 0.071 0.000 1.165 575 A CA 2.037 54.119 52.037 0.075 0.000 0.645 575 A CB -0.914 18.119 19.000 0.054 0.000 0.807 575 A HN 0.639 nan 8.150 nan 0.000 0.453 576 D N -1.748 118.692 120.400 0.067 0.000 2.358 576 D HA 0.062 4.703 4.640 0.001 0.000 0.224 576 D C 0.329 176.652 176.300 0.038 0.000 1.123 576 D CA -0.440 53.583 54.000 0.040 0.000 0.833 576 D CB -1.044 39.768 40.800 0.021 0.000 0.946 576 D HN 0.525 nan 8.370 nan 0.000 0.505 577 H N 1.006 120.053 119.070 -0.037 0.000 2.764 577 H HA 0.173 4.730 4.556 0.001 0.000 0.341 577 H C -1.464 173.805 175.328 -0.098 0.000 1.072 577 H CA -1.034 54.953 56.048 -0.101 0.000 1.444 577 H CB 1.315 31.010 29.762 -0.112 0.000 1.458 577 H HN -0.204 nan 8.280 nan 0.000 0.572 578 P HA -0.079 nan 4.420 nan 0.000 0.217 578 P C -0.512 176.617 177.300 -0.285 0.000 1.150 578 P CA 1.226 64.095 63.100 -0.385 0.000 0.832 578 P CB 0.416 31.868 31.700 -0.413 0.000 0.787 579 D N -1.500 118.704 120.400 -0.325 0.000 2.228 579 D HA 0.111 4.752 4.640 0.001 0.000 0.247 579 D C 1.264 177.628 176.300 0.108 0.000 0.995 579 D CA -0.480 53.499 54.000 -0.035 0.000 0.903 579 D CB 1.264 42.103 40.800 0.065 0.000 1.205 579 D HN 0.073 nan 8.370 nan 0.000 0.459 580 R N 0.160 120.622 120.500 -0.064 0.000 2.115 580 R HA -0.026 4.314 4.340 0.001 0.000 0.230 580 R C -0.031 176.092 176.300 -0.295 0.000 1.111 580 R CA 0.818 56.743 56.100 -0.292 0.000 0.976 580 R CB -0.179 29.768 30.300 -0.588 0.000 0.870 580 R HN 0.177 nan 8.270 nan 0.000 0.445 581 F N -0.354 119.659 119.950 0.105 0.000 2.541 581 F HA 0.557 5.085 4.527 0.001 0.000 0.331 581 F C -0.495 175.396 175.800 0.153 0.000 1.057 581 F CA -2.157 55.781 58.000 -0.103 0.000 0.975 581 F CB 1.089 39.739 39.000 -0.583 0.000 1.246 581 F HN -0.189 nan 8.300 nan 0.000 0.484 582 F N 2.332 122.217 119.950 -0.108 0.000 3.287 582 F HA 0.383 4.911 4.527 0.001 0.000 0.379 582 F C -1.795 173.823 175.800 -0.304 0.000 1.268 582 F CA -2.148 55.793 58.000 -0.097 0.000 1.220 582 F CB 0.222 39.066 39.000 -0.260 0.000 1.687 582 F HN 0.250 nan 8.300 nan 0.000 0.648 583 F N 6.826 126.797 119.950 0.035 0.000 2.619 583 F HA 0.148 4.676 4.527 0.001 0.000 0.350 583 F C 0.876 176.331 175.800 -0.574 0.000 1.259 583 F CA -0.463 57.214 58.000 -0.539 0.000 1.204 583 F CB -0.489 38.339 39.000 -0.286 0.000 1.556 583 F HN 0.420 nan 8.300 nan 0.000 0.650 584 Y N -1.197 118.741 120.300 -0.603 0.000 2.632 584 Y HA 0.233 4.784 4.550 0.001 0.000 0.301 584 Y C 1.692 177.453 175.900 -0.233 0.000 1.172 584 Y CA -0.089 57.564 58.100 -0.746 0.000 1.328 584 Y CB -0.937 36.864 38.460 -1.098 0.000 1.016 584 Y HN 0.408 nan 8.280 nan 0.000 0.529 585 G N 0.364 109.080 108.800 -0.140 0.000 2.920 585 G HA2 0.059 4.019 3.960 0.001 0.000 0.208 585 G HA3 0.059 4.019 3.960 0.001 0.000 0.208 585 G C 0.459 175.400 174.900 0.068 0.000 1.159 585 G CA -0.282 44.852 45.100 0.055 0.000 0.784 585 G HN 0.030 nan 8.290 nan 0.000 0.535 586 K N 0.055 120.483 120.400 0.046 0.000 2.324 586 K HA 0.317 4.637 4.320 0.001 0.000 0.253 586 K C -2.095 174.582 176.600 0.128 0.000 0.932 586 K CA -2.074 54.262 56.287 0.082 0.000 0.799 586 K CB 2.554 35.084 32.500 0.051 0.000 1.154 586 K HN -0.234 nan 8.250 nan 0.000 0.425 587 P HA -0.161 nan 4.420 nan 0.000 0.221 587 P C 0.375 177.780 177.300 0.175 0.000 1.145 587 P CA 1.288 64.475 63.100 0.145 0.000 0.795 587 P CB 0.293 32.057 31.700 0.107 0.000 0.775 588 D N -2.763 117.735 120.400 0.163 0.000 2.398 588 D HA 0.161 4.802 4.640 0.001 0.000 0.210 588 D C 1.253 177.711 176.300 0.263 0.000 1.094 588 D CA 0.358 54.462 54.000 0.173 0.000 0.839 588 D CB -0.636 40.224 40.800 0.100 0.000 0.963 588 D HN 0.163 nan 8.370 nan 0.000 0.506 589 G N 0.607 109.619 108.800 0.353 0.000 2.132 589 G HA2 -0.266 3.695 3.960 0.001 0.000 0.228 589 G HA3 -0.266 3.695 3.960 0.001 0.000 0.228 589 G C -0.104 175.084 174.900 0.480 0.000 1.000 589 G CA -0.341 45.083 45.100 0.539 0.000 0.693 589 G HN 0.417 nan 8.290 nan 0.000 0.515 590 R N 0.046 120.714 120.500 0.280 0.000 2.437 590 R HA 0.712 5.052 4.340 0.001 0.000 0.310 590 R C 0.632 176.893 176.300 -0.065 0.000 0.955 590 R CA -0.052 56.157 56.100 0.183 0.000 0.851 590 R CB 1.698 32.028 30.300 0.049 0.000 1.161 590 R HN 0.485 nan 8.270 nan 0.000 0.446 591 A N 2.393 124.987 122.820 -0.377 0.000 2.366 591 A HA 0.428 4.749 4.320 0.001 0.000 0.250 591 A C -0.213 177.045 177.584 -0.543 0.000 1.099 591 A CA -0.248 51.361 52.037 -0.712 0.000 0.794 591 A CB 0.629 18.881 19.000 -1.247 0.000 1.056 591 A HN 0.426 nan 8.150 nan 0.000 0.499 592 V N 1.370 120.927 119.914 -0.595 0.000 2.531 592 V HA 0.317 4.438 4.120 0.001 0.000 0.301 592 V C -0.266 175.450 176.094 -0.629 0.000 1.034 592 V CA -0.209 61.721 62.300 -0.617 0.000 0.865 592 V CB 1.453 32.916 31.823 -0.600 0.000 0.995 592 V HN 0.712 nan 8.190 nan 0.000 0.424 593 I N 3.728 123.847 120.570 -0.751 0.000 2.395 593 I HA 0.287 4.458 4.170 0.001 0.000 0.289 593 I C -0.813 174.923 176.117 -0.635 0.000 1.023 593 I CA 0.107 61.030 61.300 -0.628 0.000 1.350 593 I CB 1.009 38.447 38.000 -0.937 0.000 1.409 593 I HN 0.596 nan 8.210 nan 0.000 0.507 594 W N 6.689 127.812 121.300 -0.296 0.000 2.475 594 W HA 0.445 5.106 4.660 0.002 0.000 0.317 594 W C -0.060 176.296 176.519 -0.273 0.000 1.046 594 W CA -0.605 56.577 57.345 -0.272 0.000 1.215 594 W CB 1.243 30.549 29.460 -0.257 0.000 1.335 594 W HN 0.278 nan 8.180 nan 0.000 0.471 595 M N 5.028 124.510 119.600 -0.197 0.000 3.690 595 M HA 0.202 4.683 4.480 0.001 0.000 0.209 595 M C 0.070 176.085 176.300 -0.475 0.000 1.403 595 M CA -0.191 54.741 55.300 -0.613 0.000 1.621 595 M CB -0.394 31.558 32.600 -1.079 0.000 1.056 595 M HN 0.065 nan 8.290 nan 0.000 0.593 596 R N 1.412 121.831 120.500 -0.135 0.000 2.370 596 R HA 0.271 4.612 4.340 0.001 0.000 0.309 596 R C -2.562 173.878 176.300 0.233 0.000 1.059 596 R CA -2.014 53.940 56.100 -0.244 0.000 0.981 596 R CB -0.589 29.349 30.300 -0.603 0.000 0.972 596 R HN 0.174 nan 8.270 nan 0.000 0.437 597 P HA 0.067 nan 4.420 nan 0.000 0.271 597 P C -0.693 176.823 177.300 0.359 0.000 1.216 597 P CA -0.170 63.180 63.100 0.417 0.000 0.776 597 P CB 0.719 32.605 31.700 0.311 0.000 0.881 598 A N 3.627 126.683 122.820 0.394 0.000 2.320 598 A HA 0.382 4.703 4.320 0.001 0.000 0.287 598 A C 0.410 178.123 177.584 0.216 0.000 1.181 598 A CA -0.075 52.130 52.037 0.279 0.000 0.831 598 A CB 0.035 19.212 19.000 0.295 0.000 1.102 598 A HN 0.439 nan 8.150 nan 0.000 0.513 599 K N 1.453 121.950 120.400 0.162 0.000 1.841 599 K HA 0.703 5.023 4.320 0.001 0.000 0.259 599 K C 0.640 177.289 176.600 0.082 0.000 0.999 599 K CA -0.284 56.073 56.287 0.118 0.000 1.053 599 K CB 0.993 33.561 32.500 0.114 0.000 2.249 599 K HN 0.710 nan 8.250 nan 0.000 0.894 600 G N -0.091 108.748 108.800 0.066 0.000 3.247 600 G HA2 0.590 4.551 3.960 0.001 0.000 0.226 600 G HA3 0.590 4.551 3.960 0.001 0.000 0.226 600 G C -1.337 173.592 174.900 0.048 0.000 1.220 600 G CA -0.430 44.706 45.100 0.061 0.000 0.875 600 G HN 0.558 nan 8.290 nan 0.000 0.606 601 A N -1.026 121.840 122.820 0.076 0.000 2.313 601 A HA 0.630 4.951 4.320 0.001 0.000 0.261 601 A C 1.608 179.213 177.584 0.035 0.000 1.090 601 A CA 0.735 52.811 52.037 0.064 0.000 0.807 601 A CB 0.662 19.740 19.000 0.130 0.000 1.055 601 A HN 1.661 nan 8.150 nan 0.000 0.492 602 A N -0.377 122.448 122.820 0.009 0.000 1.968 602 A HA 0.092 4.413 4.320 0.001 0.000 0.217 602 A C 1.008 178.582 177.584 -0.015 0.000 1.169 602 A CA 1.510 53.540 52.037 -0.012 0.000 0.638 602 A CB -0.192 18.788 19.000 -0.034 0.000 0.812 602 A HN 0.813 nan 8.150 nan 0.000 0.446 603 E N 1.165 121.359 120.200 -0.010 0.000 2.256 603 E HA 0.227 4.578 4.350 0.001 0.000 0.243 603 E C -0.959 175.633 176.600 -0.014 0.000 0.925 603 E CA -0.455 55.924 56.400 -0.035 0.000 0.748 603 E CB 0.373 30.027 29.700 -0.077 0.000 1.206 603 E HN 0.324 nan 8.360 nan 0.000 0.428 604 E N 3.409 123.600 120.200 -0.015 0.000 2.319 604 E HA 0.278 4.628 4.350 0.001 0.000 0.268 604 E C -2.220 174.309 176.600 -0.119 0.000 1.050 604 E CA -2.003 54.377 56.400 -0.034 0.000 0.878 604 E CB 0.971 30.675 29.700 0.007 0.000 1.066 604 E HN 0.443 nan 8.360 nan 0.000 0.406 605 P HA 0.017 nan 4.420 nan 0.000 0.269 605 P C -0.825 176.413 177.300 -0.104 0.000 1.217 605 P CA 0.242 63.206 63.100 -0.226 0.000 0.783 605 P CB 0.531 31.961 31.700 -0.451 0.000 0.898 606 D N -0.876 119.501 120.400 -0.039 0.000 2.665 606 D HA 0.364 5.004 4.640 0.001 0.000 0.287 606 D C 0.743 177.035 176.300 -0.013 0.000 1.266 606 D CA -0.621 53.370 54.000 -0.015 0.000 0.830 606 D CB 0.072 40.878 40.800 0.010 0.000 1.356 606 D HN 0.221 nan 8.370 nan 0.000 0.437 607 A N 0.695 123.504 122.820 -0.018 0.000 1.916 607 A HA -0.389 3.932 4.320 0.001 0.000 0.224 607 A C 1.818 179.367 177.584 -0.059 0.000 1.366 607 A CA 3.389 55.407 52.037 -0.032 0.000 0.692 607 A CB -1.383 17.601 19.000 -0.027 0.000 0.841 607 A HN 0.827 nan 8.150 nan 0.000 0.480 608 E N -2.785 117.379 120.200 -0.059 0.000 2.158 608 E HA -0.052 4.299 4.350 0.001 0.000 0.191 608 E C -0.015 176.371 176.600 -0.357 0.000 0.982 608 E CA 0.862 57.156 56.400 -0.176 0.000 0.823 608 E CB -0.210 29.399 29.700 -0.150 0.000 0.766 608 E HN 0.682 nan 8.360 nan 0.000 0.468 609 Y N 1.268 121.527 120.300 -0.068 0.000 2.863 609 Y HA 0.313 4.864 4.550 0.001 0.000 0.348 609 Y C -2.012 173.823 175.900 -0.108 0.000 1.028 609 Y CA -2.539 55.511 58.100 -0.084 0.000 1.213 609 Y CB 1.824 40.230 38.460 -0.090 0.000 1.120 609 Y HN 0.099 nan 8.280 nan 0.000 0.598 610 P HA 0.062 nan 4.420 nan 0.000 0.255 610 P C -0.261 176.995 177.300 -0.074 0.000 1.301 610 P CA 0.680 63.749 63.100 -0.051 0.000 0.817 610 P CB 0.741 32.414 31.700 -0.044 0.000 1.259 611 L N -0.671 120.515 121.223 -0.062 0.000 2.341 611 L HA 0.442 4.783 4.340 0.001 0.000 0.267 611 L C -0.146 176.670 176.870 -0.090 0.000 1.009 611 L CA -1.380 53.437 54.840 -0.040 0.000 0.819 611 L CB 1.739 43.814 42.059 0.026 0.000 1.323 611 L HN -0.173 nan 8.230 nan 0.000 0.425 612 Y N 2.242 122.573 120.300 0.051 0.000 2.316 612 Y HA 0.373 4.924 4.550 0.001 0.000 0.331 612 Y C -0.139 175.795 175.900 0.058 0.000 1.083 612 Y CA -0.356 57.777 58.100 0.055 0.000 1.206 612 Y CB 1.536 40.037 38.460 0.069 0.000 1.195 612 Y HN 0.270 nan 8.280 nan 0.000 0.497 613 L N 3.920 125.273 121.223 0.216 0.000 2.305 613 L HA 0.567 4.908 4.340 0.001 0.000 0.284 613 L C -0.291 176.762 176.870 0.304 0.000 1.013 613 L CA 0.062 54.992 54.840 0.150 0.000 0.819 613 L CB 1.537 43.545 42.059 -0.084 0.000 1.227 613 L HN 0.628 nan 8.230 nan 0.000 0.417 614 T N 2.553 117.300 114.554 0.321 0.000 2.910 614 T HA 0.877 5.228 4.350 0.001 0.000 0.287 614 T C -0.920 174.006 174.700 0.376 0.000 1.050 614 T CA -0.015 62.292 62.100 0.345 0.000 1.011 614 T CB 1.217 70.203 68.868 0.197 0.000 1.195 614 T HN 0.873 nan 8.240 nan 0.000 0.540 615 S N 1.415 117.212 115.700 0.161 0.000 2.546 615 S HA 0.804 5.275 4.470 0.001 0.000 0.274 615 S C -0.954 173.684 174.600 0.064 0.000 1.121 615 S CA -0.921 57.314 58.200 0.058 0.000 0.887 615 S CB 1.568 64.526 63.200 -0.403 0.000 1.094 615 S HN 0.884 nan 8.310 nan 0.000 0.474 616 M N 0.075 119.778 119.600 0.172 0.000 2.843 616 M HA 0.797 5.278 4.480 0.001 0.000 0.273 616 M C -0.982 175.411 176.300 0.155 0.000 1.286 616 M CA -0.748 54.649 55.300 0.162 0.000 0.807 616 M CB 0.645 33.315 32.600 0.117 0.000 1.684 616 M HN 0.547 nan 8.290 nan 0.000 0.458 617 R N -0.240 120.302 120.500 0.070 0.000 2.668 617 R HA 0.956 5.297 4.340 0.001 0.000 0.279 617 R C -1.859 174.420 176.300 -0.035 0.000 0.976 617 R CA -0.749 55.321 56.100 -0.050 0.000 0.978 617 R CB 2.150 32.422 30.300 -0.046 0.000 1.133 617 R HN 0.688 nan 8.270 nan 0.000 0.484 618 V N 4.563 124.426 119.914 -0.084 0.000 2.808 618 V HA 0.267 4.388 4.120 0.001 0.000 0.308 618 V C 0.941 176.943 176.094 -0.153 0.000 1.099 618 V CA -0.693 61.581 62.300 -0.043 0.000 0.920 618 V CB 1.997 33.865 31.823 0.075 0.000 1.014 618 V HN 0.867 nan 8.190 nan 0.000 0.425 619 I N 2.370 122.843 120.570 -0.160 0.000 2.286 619 I HA -0.136 4.035 4.170 0.001 0.000 0.248 619 I C 1.620 177.566 176.117 -0.284 0.000 1.115 619 I CA 1.658 62.838 61.300 -0.201 0.000 1.392 619 I CB 0.266 38.164 38.000 -0.170 0.000 1.065 619 I HN 0.783 nan 8.210 nan 0.000 0.418 620 D N -0.588 119.575 120.400 -0.395 0.000 2.277 620 D HA -0.017 4.624 4.640 0.001 0.000 0.208 620 D C 0.300 176.188 176.300 -0.687 0.000 0.962 620 D CA 0.869 54.536 54.000 -0.555 0.000 0.865 620 D CB 0.025 40.408 40.800 -0.695 0.000 0.939 620 D HN 0.401 nan 8.370 nan 0.000 0.510 621 H N -0.459 118.376 119.070 -0.391 0.000 2.539 621 H HA 0.081 4.637 4.556 0.001 0.000 0.332 621 H C -0.441 174.705 175.328 -0.305 0.000 1.031 621 H CA -0.589 55.215 56.048 -0.407 0.000 1.206 621 H CB 1.048 30.382 29.762 -0.713 0.000 1.446 621 H HN 0.133 nan 8.280 nan 0.000 0.496 622 W N 6.313 127.434 121.300 -0.299 0.000 2.332 622 W HA 0.082 4.743 4.660 0.001 0.000 0.306 622 W C -0.053 176.367 176.519 -0.164 0.000 1.149 622 W CA 0.013 57.158 57.345 -0.333 0.000 1.271 622 W CB 0.141 29.416 29.460 -0.308 0.000 1.243 622 W HN 0.808 nan 8.180 nan 0.000 0.459 623 H N 1.328 119.984 119.070 -0.690 0.000 1.452 623 H HA -0.355 4.202 4.556 0.001 0.000 0.090 623 H C 1.959 177.097 175.328 -0.317 0.000 1.042 623 H CA 3.329 59.037 56.048 -0.567 0.000 1.901 623 H CB -1.653 27.751 29.762 -0.595 0.000 2.257 623 H HN 0.479 nan 8.280 nan 0.000 0.961 624 T N -0.834 113.662 114.554 -0.097 0.000 3.148 624 T HA 0.465 4.816 4.350 0.001 0.000 0.253 624 T C 1.252 175.907 174.700 -0.076 0.000 1.134 624 T CA 1.866 63.775 62.100 -0.319 0.000 1.051 624 T CB -0.046 68.458 68.868 -0.606 0.000 0.959 624 T HN 1.409 nan 8.240 nan 0.000 0.525 625 A N 0.525 123.369 122.820 0.041 0.000 3.157 625 A HA -0.182 4.139 4.320 0.001 0.000 0.237 625 A C 1.652 179.236 177.584 0.001 0.000 1.330 625 A CA 1.397 53.470 52.037 0.060 0.000 0.992 625 A CB -2.868 16.175 19.000 0.072 0.000 1.131 625 A HN 1.055 nan 8.150 nan 0.000 0.781 626 T N -3.221 111.314 114.554 -0.031 0.000 3.043 626 T HA 0.277 4.628 4.350 0.001 0.000 0.263 626 T C 1.582 175.963 174.700 -0.531 0.000 1.094 626 T CA 1.454 63.455 62.100 -0.165 0.000 1.127 626 T CB -0.183 68.665 68.868 -0.034 0.000 0.905 626 T HN 0.578 nan 8.240 nan 0.000 0.490 627 M N 1.429 120.826 119.600 -0.338 0.000 2.755 627 M HA 0.125 4.606 4.480 0.001 0.000 0.247 627 M C 2.802 179.016 176.300 -0.143 0.000 1.275 627 M CA 1.371 56.423 55.300 -0.413 0.000 1.252 627 M CB -0.439 32.066 32.600 -0.160 0.000 1.215 627 M HN 0.311 nan 8.290 nan 0.000 0.527 628 T N -0.973 113.584 114.554 0.006 0.000 2.897 628 T HA -0.078 4.273 4.350 0.001 0.000 0.271 628 T C 1.798 176.485 174.700 -0.023 0.000 1.084 628 T CA 1.381 63.463 62.100 -0.030 0.000 1.123 628 T CB -1.202 67.613 68.868 -0.088 0.000 0.865 628 T HN 0.539 nan 8.240 nan 0.000 0.496 629 G N 1.542 110.336 108.800 -0.010 0.000 2.471 629 G HA2 -0.091 3.870 3.960 0.001 0.000 0.219 629 G HA3 -0.091 3.870 3.960 0.001 0.000 0.219 629 G C 1.551 176.437 174.900 -0.022 0.000 1.125 629 G CA 0.095 45.201 45.100 0.010 0.000 0.775 629 G HN 0.400 nan 8.290 nan 0.000 0.548 630 K N 0.307 120.665 120.400 -0.071 0.000 2.487 630 K HA 0.147 4.467 4.320 0.001 0.000 0.192 630 K C 0.037 176.624 176.600 -0.021 0.000 1.027 630 K CA 0.043 56.299 56.287 -0.051 0.000 1.054 630 K CB 0.554 33.001 32.500 -0.089 0.000 0.824 630 K HN 0.216 nan 8.250 nan 0.000 0.510 631 V N 2.708 122.609 119.914 -0.023 0.000 2.326 631 V HA 0.133 4.254 4.120 0.001 0.000 0.281 631 V C -1.823 174.258 176.094 -0.023 0.000 1.015 631 V CA -1.579 60.709 62.300 -0.020 0.000 0.823 631 V CB 1.665 33.468 31.823 -0.033 0.000 1.009 631 V HN -0.095 nan 8.190 nan 0.000 0.436 632 P HA -0.196 nan 4.420 nan 0.000 0.215 632 P C 1.600 178.885 177.300 -0.025 0.000 1.157 632 P CA 1.318 64.413 63.100 -0.008 0.000 0.874 632 P CB 0.232 31.931 31.700 -0.001 0.000 0.790 633 E N 0.081 120.260 120.200 -0.035 0.000 2.209 633 E HA -0.169 4.182 4.350 0.001 0.000 0.196 633 E C 1.824 178.369 176.600 -0.091 0.000 0.993 633 E CA 1.093 57.462 56.400 -0.053 0.000 0.819 633 E CB -1.287 28.384 29.700 -0.049 0.000 0.745 633 E HN 0.344 nan 8.360 nan 0.000 0.477 634 L N 0.494 121.648 121.223 -0.115 0.000 2.610 634 L HA -0.051 4.290 4.340 0.001 0.000 0.232 634 L C 1.834 178.559 176.870 -0.241 0.000 1.149 634 L CA 0.448 55.158 54.840 -0.217 0.000 0.872 634 L CB -0.082 41.831 42.059 -0.245 0.000 0.992 634 L HN 0.013 nan 8.230 nan 0.000 0.447 635 Q N -0.956 118.791 119.800 -0.088 0.000 2.281 635 Q HA 0.066 4.407 4.340 0.001 0.000 0.215 635 Q C 1.614 177.617 176.000 0.006 0.000 0.867 635 Q CA 0.168 55.978 55.803 0.012 0.000 0.940 635 Q CB 0.305 29.075 28.738 0.053 0.000 1.111 635 Q HN 0.163 nan 8.270 nan 0.000 0.513 636 K N 1.096 121.475 120.400 -0.036 0.000 2.217 636 K HA 0.089 4.410 4.320 0.001 0.000 0.202 636 K C 1.677 178.265 176.600 -0.021 0.000 1.051 636 K CA 1.084 57.357 56.287 -0.023 0.000 0.952 636 K CB -0.083 32.397 32.500 -0.034 0.000 0.736 636 K HN 0.186 nan 8.250 nan 0.000 0.453 637 A N 1.223 124.017 122.820 -0.043 0.000 1.896 637 A HA 0.056 4.377 4.320 0.001 0.000 0.213 637 A C 0.468 178.056 177.584 0.005 0.000 1.306 637 A CA 0.414 52.426 52.037 -0.040 0.000 0.626 637 A CB -0.041 18.910 19.000 -0.081 0.000 0.994 637 A HN 0.180 nan 8.150 nan 0.000 0.475 638 N N 0.687 119.414 118.700 0.045 0.000 2.707 638 N HA 0.289 5.030 4.740 0.001 0.000 0.235 638 N C -2.435 173.260 175.510 0.309 0.000 1.028 638 N CA -1.395 51.779 53.050 0.206 0.000 0.906 638 N CB 1.349 40.029 38.487 0.322 0.000 1.131 638 N HN 0.229 nan 8.380 nan 0.000 0.509 639 P HA 0.042 nan 4.420 nan 0.000 0.224 639 P C 0.527 177.997 177.300 0.283 0.000 1.157 639 P CA 0.782 64.018 63.100 0.227 0.000 0.799 639 P CB 0.706 32.489 31.700 0.138 0.000 0.809 640 I N -5.636 115.138 120.570 0.340 0.000 3.354 640 I HA 0.798 4.969 4.170 0.001 0.000 0.316 640 I C -0.935 175.303 176.117 0.201 0.000 1.182 640 I CA -2.040 59.400 61.300 0.234 0.000 0.942 640 I CB 1.513 39.583 38.000 0.117 0.000 1.299 640 I HN -0.310 nan 8.210 nan 0.000 0.473 641 A N 1.233 123.978 122.820 -0.125 0.000 2.332 641 A HA 0.758 5.079 4.320 0.001 0.000 0.258 641 A C -0.708 176.853 177.584 -0.039 0.000 1.087 641 A CA -0.064 51.775 52.037 -0.330 0.000 0.802 641 A CB 0.021 18.753 19.000 -0.447 0.000 1.042 641 A HN 0.728 nan 8.150 nan 0.000 0.489 642 F N -0.972 118.961 119.950 -0.028 0.000 2.692 642 F HA 0.723 5.251 4.527 0.001 0.000 0.320 642 F C -0.784 175.015 175.800 -0.003 0.000 1.123 642 F CA -1.399 56.597 58.000 -0.007 0.000 0.961 642 F CB 1.462 40.474 39.000 0.019 0.000 1.383 642 F HN 0.476 nan 8.300 nan 0.000 0.483 643 V N 1.167 121.212 119.914 0.219 0.000 2.483 643 V HA 0.423 4.544 4.120 0.001 0.000 0.297 643 V C -0.805 175.416 176.094 0.212 0.000 1.027 643 V CA -0.326 62.061 62.300 0.145 0.000 0.855 643 V CB 1.594 33.454 31.823 0.061 0.000 0.995 643 V HN 0.851 nan 8.190 nan 0.000 0.424 644 E N 6.610 126.957 120.200 0.245 0.000 2.338 644 E HA 0.499 4.850 4.350 0.001 0.000 0.272 644 E C -0.811 175.862 176.600 0.121 0.000 1.029 644 E CA -0.084 56.432 56.400 0.193 0.000 0.872 644 E CB 1.495 31.324 29.700 0.215 0.000 1.015 644 E HN 0.616 nan 8.360 nan 0.000 0.417 645 I N 2.009 122.632 120.570 0.089 0.000 2.647 645 I HA 0.198 4.369 4.170 0.001 0.000 0.295 645 I C -0.295 175.868 176.117 0.077 0.000 1.078 645 I CA -1.135 60.209 61.300 0.075 0.000 1.048 645 I CB 2.020 40.051 38.000 0.051 0.000 1.239 645 I HN 0.430 nan 8.210 nan 0.000 0.421 646 N N 3.181 121.927 118.700 0.076 0.000 2.520 646 N HA 0.055 4.796 4.740 0.001 0.000 0.273 646 N C 0.789 176.338 175.510 0.065 0.000 1.155 646 N CA 0.161 53.256 53.050 0.074 0.000 0.967 646 N CB 1.089 39.621 38.487 0.077 0.000 1.092 646 N HN 0.552 nan 8.380 nan 0.000 0.457 647 E N 1.576 121.814 120.200 0.063 0.000 2.035 647 E HA -0.294 4.057 4.350 0.001 0.000 0.204 647 E C 0.694 177.322 176.600 0.048 0.000 1.025 647 E CA 1.846 58.279 56.400 0.056 0.000 0.835 647 E CB -0.085 29.644 29.700 0.048 0.000 0.764 647 E HN 0.846 nan 8.360 nan 0.000 0.457 648 E N 0.309 120.536 120.200 0.045 0.000 2.505 648 E HA -0.123 4.228 4.350 0.001 0.000 0.197 648 E C 0.305 176.930 176.600 0.041 0.000 1.111 648 E CA 0.559 56.983 56.400 0.040 0.000 0.887 648 E CB 0.266 29.989 29.700 0.038 0.000 0.913 648 E HN 0.171 nan 8.360 nan 0.000 0.517 649 D N 0.528 120.955 120.400 0.045 0.000 2.597 649 D HA 0.190 4.831 4.640 0.001 0.000 0.261 649 D C 1.840 178.162 176.300 0.036 0.000 1.023 649 D CA 1.104 55.130 54.000 0.043 0.000 0.927 649 D CB 0.081 40.912 40.800 0.053 0.000 1.168 649 D HN 0.227 nan 8.370 nan 0.000 0.491 650 A N 1.196 124.040 122.820 0.040 0.000 1.845 650 A HA -0.043 4.278 4.320 0.001 0.000 0.215 650 A C 2.261 179.864 177.584 0.031 0.000 1.195 650 A CA 2.506 54.565 52.037 0.037 0.000 0.616 650 A CB -1.000 18.028 19.000 0.047 0.000 0.832 650 A HN 0.218 nan 8.150 nan 0.000 0.443 651 A N 0.662 123.502 122.820 0.032 0.000 1.877 651 A HA -0.181 4.139 4.320 0.001 0.000 0.216 651 A C 2.145 179.741 177.584 0.021 0.000 1.186 651 A CA 2.199 54.252 52.037 0.026 0.000 0.620 651 A CB -0.529 18.486 19.000 0.026 0.000 0.822 651 A HN 0.704 nan 8.150 nan 0.000 0.443 652 R N -1.460 119.053 120.500 0.022 0.000 2.280 652 R HA 0.036 4.377 4.340 0.001 0.000 0.207 652 R C 1.312 177.620 176.300 0.013 0.000 1.043 652 R CA 1.861 57.971 56.100 0.017 0.000 1.006 652 R CB -0.883 29.429 30.300 0.019 0.000 0.885 652 R HN 0.245 nan 8.270 nan 0.000 0.467 653 T N -0.964 113.598 114.554 0.014 0.000 3.040 653 T HA 0.271 4.622 4.350 0.001 0.000 0.266 653 T C 0.558 175.262 174.700 0.007 0.000 1.005 653 T CA 0.375 62.480 62.100 0.008 0.000 0.906 653 T CB 0.051 68.923 68.868 0.007 0.000 1.082 653 T HN 0.589 nan 8.240 nan 0.000 0.531 654 G N 2.059 110.866 108.800 0.011 0.000 2.401 654 G HA2 -0.166 3.795 3.960 0.001 0.000 0.283 654 G HA3 -0.166 3.795 3.960 0.001 0.000 0.283 654 G C -0.310 174.597 174.900 0.012 0.000 1.117 654 G CA -0.041 45.066 45.100 0.011 0.000 1.051 654 G HN 0.577 nan 8.290 nan 0.000 0.510 655 I N -0.142 120.438 120.570 0.018 0.000 2.499 655 I HA 0.429 4.600 4.170 0.001 0.000 0.288 655 I C 0.290 176.425 176.117 0.031 0.000 1.048 655 I CA -0.894 60.418 61.300 0.019 0.000 1.062 655 I CB 1.983 39.992 38.000 0.016 0.000 1.238 655 I HN 0.189 nan 8.210 nan 0.000 0.426 656 K N 4.070 124.490 120.400 0.033 0.000 2.109 656 K HA 0.325 4.646 4.320 0.001 0.000 0.243 656 K C -0.192 176.453 176.600 0.076 0.000 1.006 656 K CA -0.619 55.702 56.287 0.057 0.000 0.917 656 K CB 0.831 33.360 32.500 0.050 0.000 1.081 656 K HN 0.533 nan 8.250 nan 0.000 0.468 657 H N 0.336 119.412 119.070 0.010 0.000 2.722 657 H HA 0.150 4.707 4.556 0.001 0.000 0.328 657 H C 0.617 175.950 175.328 0.008 0.000 1.067 657 H CA 1.820 57.873 56.048 0.009 0.000 1.447 657 H CB 1.032 30.794 29.762 0.001 0.000 1.469 657 H HN 0.892 nan 8.280 nan 0.000 0.544 658 G N 4.853 113.552 108.800 -0.170 0.000 2.279 658 G HA2 -0.249 3.712 3.960 0.001 0.000 0.223 658 G HA3 -0.249 3.712 3.960 0.001 0.000 0.223 658 G C -0.137 174.747 174.900 -0.027 0.000 1.015 658 G CA 0.140 45.212 45.100 -0.047 0.000 0.621 658 G HN 0.632 nan 8.290 nan 0.000 0.506 659 D N 1.586 121.977 120.400 -0.015 0.000 2.458 659 D HA 0.455 5.096 4.640 0.001 0.000 0.243 659 D C 0.669 176.962 176.300 -0.012 0.000 1.146 659 D CA 0.609 54.606 54.000 -0.004 0.000 0.877 659 D CB 1.361 42.163 40.800 0.004 0.000 1.176 659 D HN 0.221 nan 8.370 nan 0.000 0.461 660 S N 0.758 116.455 115.700 -0.004 0.000 2.560 660 S HA 0.337 4.808 4.470 0.001 0.000 0.284 660 S C -0.138 174.459 174.600 -0.005 0.000 1.327 660 S CA -0.569 57.629 58.200 -0.003 0.000 1.055 660 S CB 0.142 63.342 63.200 -0.000 0.000 0.868 660 S HN 0.300 nan 8.310 nan 0.000 0.506 661 V N 3.059 122.970 119.914 -0.006 0.000 3.078 661 V HA 0.645 4.766 4.120 0.001 0.000 0.311 661 V C -0.898 175.190 176.094 -0.010 0.000 1.138 661 V CA -1.142 61.154 62.300 -0.007 0.000 1.007 661 V CB 1.845 33.666 31.823 -0.005 0.000 1.045 661 V HN 0.654 nan 8.190 nan 0.000 0.432 662 I N 2.674 123.237 120.570 -0.013 0.000 2.307 662 I HA 0.389 4.560 4.170 0.001 0.000 0.289 662 I C -0.028 176.079 176.117 -0.017 0.000 1.021 662 I CA -0.452 60.839 61.300 -0.016 0.000 1.224 662 I CB 1.183 39.172 38.000 -0.018 0.000 1.376 662 I HN 0.448 nan 8.210 nan 0.000 0.470 663 V N 6.813 126.715 119.914 -0.021 0.000 2.432 663 V HA 0.298 4.419 4.120 0.001 0.000 0.271 663 V C 0.353 176.429 176.094 -0.030 0.000 1.046 663 V CA -0.405 61.879 62.300 -0.026 0.000 0.945 663 V CB 1.292 33.092 31.823 -0.039 0.000 0.992 663 V HN 0.757 nan 8.190 nan 0.000 0.471 664 E N 3.553 123.751 120.200 -0.005 0.000 2.293 664 E HA 0.704 5.055 4.350 0.001 0.000 0.270 664 E C -0.838 175.817 176.600 0.092 0.000 0.879 664 E CA -0.523 55.892 56.400 0.025 0.000 0.756 664 E CB 2.393 32.117 29.700 0.040 0.000 1.208 664 E HN 0.803 nan 8.360 nan 0.000 0.428 665 T N 0.483 115.055 114.554 0.029 0.000 2.896 665 T HA 0.369 4.720 4.350 0.001 0.000 0.297 665 T C 0.879 175.501 174.700 -0.131 0.000 1.108 665 T CA -0.777 61.275 62.100 -0.079 0.000 1.004 665 T CB 1.532 70.252 68.868 -0.246 0.000 1.159 665 T HN 0.582 nan 8.240 nan 0.000 0.499 666 R N -0.080 120.151 120.500 -0.448 0.000 2.295 666 R HA -0.189 4.152 4.340 0.001 0.000 0.265 666 R C 1.955 178.180 176.300 -0.125 0.000 1.203 666 R CA 1.928 57.858 56.100 -0.283 0.000 1.023 666 R CB -0.257 29.801 30.300 -0.404 0.000 0.880 666 R HN 0.585 nan 8.270 nan 0.000 0.481 667 R N -1.192 119.229 120.500 -0.133 0.000 2.335 667 R HA 0.179 4.519 4.340 0.001 0.000 0.210 667 R C -0.093 176.165 176.300 -0.070 0.000 0.892 667 R CA 0.040 56.082 56.100 -0.097 0.000 1.048 667 R CB 0.674 30.906 30.300 -0.113 0.000 1.067 667 R HN 0.084 nan 8.270 nan 0.000 0.524 668 D N -1.872 118.492 120.400 -0.060 0.000 2.896 668 D HA 0.341 4.982 4.640 0.001 0.000 0.326 668 D C -1.867 174.412 176.300 -0.035 0.000 1.348 668 D CA -0.264 53.709 54.000 -0.044 0.000 0.746 668 D CB 1.266 42.033 40.800 -0.055 0.000 1.307 668 D HN -0.019 nan 8.370 nan 0.000 0.447 669 A N 0.607 123.409 122.820 -0.031 0.000 2.549 669 A HA 0.792 5.112 4.320 0.001 0.000 0.297 669 A C -1.436 176.130 177.584 -0.031 0.000 1.061 669 A CA -0.479 51.543 52.037 -0.025 0.000 0.690 669 A CB 1.957 20.949 19.000 -0.012 0.000 1.287 669 A HN 0.443 nan 8.150 nan 0.000 0.402 670 M N 1.700 121.280 119.600 -0.033 0.000 2.274 670 M HA 0.306 4.787 4.480 0.001 0.000 0.272 670 M C -1.109 175.173 176.300 -0.030 0.000 1.053 670 M CA -0.155 55.124 55.300 -0.035 0.000 0.978 670 M CB 1.719 34.291 32.600 -0.046 0.000 1.836 670 M HN 0.924 nan 8.290 nan 0.000 0.484 671 E N 4.310 124.495 120.200 -0.025 0.000 2.324 671 E HA 0.485 4.836 4.350 0.001 0.000 0.271 671 E C -1.830 174.758 176.600 -0.021 0.000 1.028 671 E CA 0.135 56.523 56.400 -0.019 0.000 0.890 671 E CB 0.695 30.387 29.700 -0.015 0.000 1.004 671 E HN 0.616 nan 8.360 nan 0.000 0.431 672 L N 5.835 127.050 121.223 -0.013 0.000 2.409 672 L HA 0.478 4.819 4.340 0.001 0.000 0.262 672 L C -2.399 174.479 176.870 0.014 0.000 0.992 672 L CA -2.563 52.274 54.840 -0.004 0.000 0.817 672 L CB 2.424 44.476 42.059 -0.012 0.000 1.350 672 L HN 0.536 nan 8.230 nan 0.000 0.411 673 P HA 0.193 nan 4.420 nan 0.000 0.276 673 P C -0.847 176.467 177.300 0.023 0.000 1.243 673 P CA -0.264 62.853 63.100 0.029 0.000 0.768 673 P CB 1.000 32.733 31.700 0.055 0.000 0.856 674 A N 4.352 127.147 122.820 -0.041 0.000 2.407 674 A HA 0.389 4.710 4.320 0.001 0.000 0.248 674 A C 0.280 177.717 177.584 -0.245 0.000 1.082 674 A CA -0.235 51.754 52.037 -0.079 0.000 0.785 674 A CB -0.023 18.930 19.000 -0.079 0.000 1.020 674 A HN 0.575 nan 8.150 nan 0.000 0.489 675 R N 2.560 122.950 120.500 -0.183 0.000 2.472 675 R HA 0.479 4.820 4.340 0.001 0.000 0.294 675 R C -1.822 174.428 176.300 -0.083 0.000 1.243 675 R CA -0.333 55.586 56.100 -0.301 0.000 1.023 675 R CB 0.977 31.179 30.300 -0.163 0.000 1.157 675 R HN 0.504 nan 8.270 nan 0.000 0.530 676 V N 3.239 123.160 119.914 0.012 0.000 2.461 676 V HA 0.494 4.615 4.120 0.001 0.000 0.275 676 V C 0.086 176.321 176.094 0.236 0.000 1.047 676 V CA -0.050 62.377 62.300 0.211 0.000 0.955 676 V CB 1.292 33.256 31.823 0.235 0.000 0.988 676 V HN 0.817 nan 8.190 nan 0.000 0.471 677 S N 1.553 117.325 115.700 0.120 0.000 2.703 677 S HA 0.283 4.754 4.470 0.001 0.000 0.273 677 S C -0.372 174.263 174.600 0.060 0.000 1.178 677 S CA -0.395 57.849 58.200 0.074 0.000 0.838 677 S CB 1.664 64.897 63.200 0.055 0.000 1.178 677 S HN 0.954 nan 8.310 nan 0.000 0.494 678 D N 1.001 121.426 120.400 0.042 0.000 2.395 678 D HA 0.116 4.756 4.640 0.001 0.000 0.226 678 D C 1.247 177.574 176.300 0.044 0.000 1.146 678 D CA 0.041 54.067 54.000 0.045 0.000 0.830 678 D CB -0.440 40.381 40.800 0.036 0.000 0.958 678 D HN 0.172 nan 8.370 nan 0.000 0.501 679 V N 0.054 119.995 119.914 0.044 0.000 2.255 679 V HA -0.119 4.002 4.120 0.001 0.000 0.243 679 V C 1.417 177.552 176.094 0.069 0.000 1.038 679 V CA 0.592 62.915 62.300 0.040 0.000 1.008 679 V CB -0.685 31.166 31.823 0.046 0.000 0.645 679 V HN 0.350 nan 8.190 nan 0.000 0.449 680 C N 2.857 122.209 119.300 0.086 0.000 2.464 680 C HA 0.439 4.900 4.460 0.001 0.000 0.370 680 C C 1.204 176.252 174.990 0.097 0.000 1.267 680 C CA -1.159 57.919 59.018 0.099 0.000 1.781 680 C CB -1.090 26.715 27.740 0.109 0.000 2.431 680 C HN 0.625 nan 8.230 nan 0.000 0.556 681 R N 3.633 124.193 120.500 0.100 0.000 2.740 681 R HA 0.119 4.459 4.340 0.001 0.000 0.263 681 R C -2.711 173.646 176.300 0.095 0.000 0.997 681 R CA -0.498 55.656 56.100 0.090 0.000 1.108 681 R CB -0.626 29.720 30.300 0.075 0.000 0.969 681 R HN 0.354 nan 8.270 nan 0.000 0.431 682 P HA -0.010 nan 4.420 nan 0.000 0.262 682 P C 0.430 177.802 177.300 0.120 0.000 1.182 682 P CA 1.609 64.764 63.100 0.091 0.000 0.761 682 P CB 0.681 32.427 31.700 0.076 0.000 0.795 683 G N 1.435 110.309 108.800 0.123 0.000 2.176 683 G HA2 -0.197 3.764 3.960 0.001 0.000 0.232 683 G HA3 -0.197 3.764 3.960 0.001 0.000 0.232 683 G C -0.506 174.529 174.900 0.225 0.000 0.986 683 G CA -0.156 45.040 45.100 0.160 0.000 0.643 683 G HN 0.599 nan 8.290 nan 0.000 0.522 684 L N 1.817 123.153 121.223 0.187 0.000 2.362 684 L HA 0.874 5.215 4.340 0.001 0.000 0.275 684 L C 0.085 177.043 176.870 0.146 0.000 0.998 684 L CA -1.438 53.521 54.840 0.197 0.000 0.820 684 L CB 1.395 43.553 42.059 0.165 0.000 1.270 684 L HN 0.430 nan 8.230 nan 0.000 0.415 685 I N 1.770 122.426 120.570 0.144 0.000 2.910 685 I HA 1.012 5.183 4.170 0.001 0.000 0.310 685 I C -0.719 175.485 176.117 0.144 0.000 1.043 685 I CA -0.925 60.449 61.300 0.123 0.000 1.053 685 I CB 2.118 40.172 38.000 0.090 0.000 1.242 685 I HN 0.767 nan 8.210 nan 0.000 0.452 686 A N 3.559 126.466 122.820 0.145 0.000 2.459 686 A HA 0.695 5.016 4.320 0.001 0.000 0.296 686 A C -0.866 176.795 177.584 0.128 0.000 1.039 686 A CA -0.533 51.602 52.037 0.163 0.000 0.698 686 A CB 1.609 20.707 19.000 0.165 0.000 1.261 686 A HN 1.144 nan 8.150 nan 0.000 0.405 687 V N 0.372 120.360 119.914 0.124 0.000 2.628 687 V HA 0.941 5.062 4.120 0.001 0.000 0.306 687 V C -2.854 173.218 176.094 -0.037 0.000 1.045 687 V CA -2.318 59.977 62.300 -0.008 0.000 0.905 687 V CB 1.842 33.683 31.823 0.031 0.000 0.997 687 V HN 0.712 nan 8.190 nan 0.000 0.436 688 P HA 0.458 nan 4.420 nan 0.000 0.280 688 P C -0.495 176.702 177.300 -0.171 0.000 1.272 688 P CA -0.472 62.515 63.100 -0.188 0.000 0.819 688 P CB 1.101 32.632 31.700 -0.280 0.000 1.122 689 F N -2.105 117.732 119.950 -0.188 0.000 2.791 689 F HA 0.385 4.912 4.527 0.001 0.000 0.316 689 F C 0.917 176.702 175.800 -0.026 0.000 1.134 689 F CA -0.765 57.141 58.000 -0.156 0.000 1.222 689 F CB -0.929 37.997 39.000 -0.124 0.000 1.034 689 F HN 0.009 nan 8.300 nan 0.000 0.516 690 F N -1.247 118.555 119.950 -0.247 0.000 2.789 690 F HA 0.318 4.846 4.527 0.001 0.000 0.300 690 F C 0.318 176.070 175.800 -0.080 0.000 1.132 690 F CA -0.526 57.332 58.000 -0.236 0.000 1.404 690 F CB -0.326 38.418 39.000 -0.426 0.000 1.114 690 F HN -0.085 nan 8.300 nan 0.000 0.584 691 D N 3.382 123.456 120.400 -0.543 0.000 2.317 691 D HA 0.193 4.834 4.640 0.001 0.000 0.234 691 D C -1.713 174.523 176.300 -0.107 0.000 1.112 691 D CA -2.654 51.159 54.000 -0.312 0.000 0.840 691 D CB 1.835 42.327 40.800 -0.512 0.000 1.078 691 D HN -0.042 nan 8.370 nan 0.000 0.486 692 P HA -0.014 nan 4.420 nan 0.000 0.233 692 P C 0.522 177.773 177.300 -0.083 0.000 1.167 692 P CA 0.493 63.581 63.100 -0.021 0.000 0.770 692 P CB 0.467 32.248 31.700 0.135 0.000 0.837 693 K N -0.214 120.143 120.400 -0.072 0.000 2.426 693 K HA 0.078 4.399 4.320 0.001 0.000 0.193 693 K C 0.468 177.014 176.600 -0.090 0.000 1.028 693 K CA 0.519 56.768 56.287 -0.064 0.000 1.047 693 K CB 0.231 32.706 32.500 -0.041 0.000 0.821 693 K HN -0.018 nan 8.250 nan 0.000 0.513 694 K N 1.479 121.795 120.400 -0.139 0.000 2.752 694 K HA 0.227 4.547 4.320 0.001 0.000 0.199 694 K C -0.925 175.573 176.600 -0.169 0.000 1.069 694 K CA -0.123 56.077 56.287 -0.145 0.000 1.033 694 K CB 1.086 33.480 32.500 -0.177 0.000 1.229 694 K HN 0.025 nan 8.250 nan 0.000 0.572 695 L N 3.189 124.323 121.223 -0.148 0.000 2.395 695 L HA 0.038 4.379 4.340 0.001 0.000 0.268 695 L C 1.952 178.780 176.870 -0.070 0.000 1.223 695 L CA -0.365 54.370 54.840 -0.174 0.000 1.093 695 L CB -0.037 41.931 42.059 -0.150 0.000 1.349 695 L HN 0.234 nan 8.230 nan 0.000 0.427 696 V N -0.861 119.041 119.914 -0.021 0.000 2.469 696 V HA -0.254 3.866 4.120 0.001 0.000 0.251 696 V C 1.835 178.078 176.094 0.248 0.000 1.064 696 V CA 1.630 63.995 62.300 0.108 0.000 1.066 696 V CB -0.532 31.410 31.823 0.198 0.000 0.667 696 V HN 0.745 nan 8.190 nan 0.000 0.461 697 N N 0.726 119.522 118.700 0.161 0.000 2.666 697 N HA -0.075 4.666 4.740 0.001 0.000 0.194 697 N C 1.521 177.075 175.510 0.072 0.000 1.220 697 N CA 1.043 54.199 53.050 0.176 0.000 0.928 697 N CB -0.203 38.297 38.487 0.021 0.000 0.997 697 N HN 0.666 nan 8.380 nan 0.000 0.447 698 K N -0.229 120.179 120.400 0.013 0.000 2.186 698 K HA 0.131 4.452 4.320 0.001 0.000 0.202 698 K C 1.778 178.338 176.600 -0.067 0.000 1.052 698 K CA 0.421 56.675 56.287 -0.055 0.000 0.965 698 K CB 0.267 32.734 32.500 -0.054 0.000 0.746 698 K HN 0.111 nan 8.250 nan 0.000 0.457 699 L N -0.243 120.927 121.223 -0.088 0.000 2.209 699 L HA 0.066 4.407 4.340 0.001 0.000 0.207 699 L C 0.423 177.104 176.870 -0.315 0.000 1.094 699 L CA 0.163 54.867 54.840 -0.228 0.000 0.790 699 L CB -0.190 41.663 42.059 -0.343 0.000 0.932 699 L HN -0.042 nan 8.230 nan 0.000 0.447 700 F N 0.915 120.826 119.950 -0.066 0.000 2.495 700 F HA 0.151 4.679 4.527 0.001 0.000 0.365 700 F C 0.547 176.285 175.800 -0.104 0.000 1.090 700 F CA -0.492 57.469 58.000 -0.064 0.000 1.235 700 F CB 0.334 39.327 39.000 -0.012 0.000 1.119 700 F HN -0.156 nan 8.300 nan 0.000 0.562 701 L N 2.483 123.729 121.223 0.037 0.000 2.470 701 L HA 0.159 4.500 4.340 0.001 0.000 0.243 701 L C 0.775 177.604 176.870 -0.068 0.000 1.227 701 L CA 0.584 55.402 54.840 -0.037 0.000 0.824 701 L CB 0.422 42.443 42.059 -0.064 0.000 1.175 701 L HN 0.626 nan 8.230 nan 0.000 0.503 702 D N -0.041 120.296 120.400 -0.106 0.000 2.520 702 D HA 0.302 4.943 4.640 0.001 0.000 0.223 702 D C -0.110 176.110 176.300 -0.134 0.000 1.186 702 D CA 0.229 54.143 54.000 -0.144 0.000 0.821 702 D CB 0.464 41.198 40.800 -0.111 0.000 1.072 702 D HN 0.667 nan 8.370 nan 0.000 0.518 703 A N 0.330 123.082 122.820 -0.114 0.000 2.466 703 A HA 0.508 4.829 4.320 0.001 0.000 0.238 703 A C 0.644 178.154 177.584 -0.125 0.000 1.074 703 A CA 0.258 52.236 52.037 -0.098 0.000 0.774 703 A CB 0.179 19.133 19.000 -0.078 0.000 1.015 703 A HN 0.233 nan 8.150 nan 0.000 0.498 704 T N -0.694 113.793 114.554 -0.113 0.000 2.906 704 T HA 0.461 4.812 4.350 0.001 0.000 0.295 704 T C -0.567 174.045 174.700 -0.147 0.000 1.061 704 T CA -0.719 61.299 62.100 -0.136 0.000 1.000 704 T CB 1.438 70.228 68.868 -0.131 0.000 1.103 704 T HN 0.652 nan 8.240 nan 0.000 0.486 705 D N 2.758 123.060 120.400 -0.164 0.000 2.487 705 D HA 0.072 4.713 4.640 0.001 0.000 0.243 705 D C -1.182 174.989 176.300 -0.215 0.000 1.154 705 D CA -1.549 52.331 54.000 -0.200 0.000 0.876 705 D CB 1.423 42.108 40.800 -0.191 0.000 1.161 705 D HN 0.298 nan 8.370 nan 0.000 0.478 706 P HA -0.079 nan 4.420 nan 0.000 0.230 706 P C 1.299 178.479 177.300 -0.200 0.000 1.158 706 P CA 0.282 63.268 63.100 -0.191 0.000 0.769 706 P CB 0.575 32.180 31.700 -0.158 0.000 0.807 707 V N 0.730 120.510 119.914 -0.223 0.000 2.484 707 V HA -0.080 4.041 4.120 0.001 0.000 0.236 707 V C 2.725 178.696 176.094 -0.204 0.000 1.062 707 V CA 2.141 64.326 62.300 -0.192 0.000 1.081 707 V CB -1.174 30.543 31.823 -0.178 0.000 0.751 707 V HN 0.223 nan 8.190 nan 0.000 0.484 708 S N -0.565 115.029 115.700 -0.177 0.000 2.489 708 S HA -0.099 4.372 4.470 0.001 0.000 0.228 708 S C 1.172 175.663 174.600 -0.182 0.000 0.995 708 S CA 0.115 58.232 58.200 -0.138 0.000 0.934 708 S CB -0.110 63.056 63.200 -0.057 0.000 0.771 708 S HN 0.442 nan 8.310 nan 0.000 0.522 709 R N 0.772 121.126 120.500 -0.243 0.000 3.758 709 R HA -0.140 4.201 4.340 0.001 0.000 0.299 709 R C -0.282 175.927 176.300 -0.151 0.000 1.182 709 R CA 1.034 56.954 56.100 -0.300 0.000 0.809 709 R CB -2.718 27.195 30.300 -0.645 0.000 1.249 709 R HN 0.859 nan 8.270 nan 0.000 0.497 710 E N 1.453 121.591 120.200 -0.103 0.000 2.338 710 E HA 0.243 4.594 4.350 0.001 0.000 0.272 710 E C -2.178 174.343 176.600 -0.132 0.000 1.029 710 E CA -1.897 54.465 56.400 -0.064 0.000 0.872 710 E CB 0.838 30.528 29.700 -0.018 0.000 1.015 710 E HN -0.051 nan 8.360 nan 0.000 0.417 711 P HA 0.054 nan 4.420 nan 0.000 0.274 711 P C -1.144 175.949 177.300 -0.345 0.000 1.231 711 P CA -0.097 62.770 63.100 -0.388 0.000 0.790 711 P CB 0.571 31.805 31.700 -0.775 0.000 0.951 712 E N 1.189 121.230 120.200 -0.265 0.000 2.122 712 E HA 0.068 4.419 4.350 0.001 0.000 0.288 712 E C -0.094 176.449 176.600 -0.096 0.000 1.260 712 E CA -0.033 56.293 56.400 -0.123 0.000 1.344 712 E CB -0.736 28.925 29.700 -0.066 0.000 1.337 712 E HN 0.408 nan 8.360 nan 0.000 0.484 713 Y N 0.932 121.155 120.300 -0.127 0.000 2.352 713 Y HA -0.108 4.443 4.550 0.001 0.000 0.292 713 Y C 1.964 177.730 175.900 -0.224 0.000 1.136 713 Y CA 0.342 58.273 58.100 -0.282 0.000 1.227 713 Y CB 0.251 38.435 38.460 -0.460 0.000 0.991 713 Y HN 0.218 nan 8.280 nan 0.000 0.545 714 K N 0.533 120.982 120.400 0.081 0.000 2.288 714 K HA 0.088 4.409 4.320 0.001 0.000 0.201 714 K C 0.101 176.799 176.600 0.163 0.000 1.048 714 K CA 0.837 57.175 56.287 0.086 0.000 0.956 714 K CB -0.050 32.489 32.500 0.066 0.000 0.746 714 K HN 0.312 nan 8.250 nan 0.000 0.461 715 I N 0.224 120.904 120.570 0.183 0.000 2.534 715 I HA 0.234 4.405 4.170 0.001 0.000 0.288 715 I C -0.146 176.105 176.117 0.223 0.000 1.077 715 I CA -1.063 60.370 61.300 0.221 0.000 1.051 715 I CB 1.991 40.090 38.000 0.164 0.000 1.234 715 I HN -0.055 nan 8.210 nan 0.000 0.425 716 C N 3.110 122.537 119.300 0.212 0.000 3.340 716 C HA 0.975 5.436 4.460 0.001 0.000 0.333 716 C C -0.512 174.482 174.990 0.007 0.000 1.464 716 C CA -0.599 58.459 59.018 0.067 0.000 1.337 716 C CB 1.338 29.074 27.740 -0.006 0.000 1.740 716 C HN 0.954 nan 8.230 nan 0.000 0.450 717 A N 0.640 123.398 122.820 -0.102 0.000 2.312 717 A HA 0.962 5.282 4.320 0.001 0.000 0.326 717 A C -0.024 177.497 177.584 -0.105 0.000 1.172 717 A CA 0.331 52.299 52.037 -0.116 0.000 0.821 717 A CB 0.740 19.657 19.000 -0.139 0.000 1.166 717 A HN 2.509 nan 8.150 nan 0.000 0.493 718 A N 1.937 124.763 122.820 0.011 0.000 2.532 718 A HA 0.931 5.251 4.320 0.001 0.000 0.290 718 A C -0.322 177.360 177.584 0.163 0.000 1.143 718 A CA -0.806 51.291 52.037 0.100 0.000 0.728 718 A CB 1.281 20.273 19.000 -0.013 0.000 1.317 718 A HN 1.220 nan 8.150 nan 0.000 0.414 719 R N -0.378 120.201 120.500 0.131 0.000 2.837 719 R HA 0.872 5.213 4.340 0.001 0.000 0.271 719 R C -1.935 174.361 176.300 -0.007 0.000 0.993 719 R CA -0.672 55.430 56.100 0.003 0.000 0.931 719 R CB 1.698 31.919 30.300 -0.132 0.000 1.206 719 R HN 0.446 nan 8.270 nan 0.000 0.474 720 V N 1.491 121.392 119.914 -0.021 0.000 2.789 720 V HA 0.625 4.746 4.120 0.001 0.000 0.311 720 V C -0.751 175.328 176.094 -0.024 0.000 1.073 720 V CA -0.830 61.461 62.300 -0.015 0.000 0.921 720 V CB 2.142 33.965 31.823 0.000 0.000 1.009 720 V HN 0.921 nan 8.190 nan 0.000 0.426 721 R N 2.424 122.910 120.500 -0.022 0.000 2.707 721 R HA 0.621 4.962 4.340 0.001 0.000 0.272 721 R C -1.083 175.208 176.300 -0.015 0.000 1.011 721 R CA -1.091 54.995 56.100 -0.022 0.000 0.893 721 R CB 2.031 32.312 30.300 -0.032 0.000 1.233 721 R HN 0.456 nan 8.270 nan 0.000 0.464 722 K N 1.505 121.898 120.400 -0.012 0.000 2.447 722 K HA 0.199 4.520 4.320 0.001 0.000 0.281 722 K C 0.311 176.905 176.600 -0.010 0.000 1.031 722 K CA 0.359 56.641 56.287 -0.008 0.000 1.019 722 K CB 0.849 33.346 32.500 -0.006 0.000 0.918 722 K HN 0.666 nan 8.250 nan 0.000 0.476 723 A N 0.000 122.815 122.820 -0.008 0.000 2.254 723 A HA 0.000 4.321 4.320 0.001 0.000 0.244 723 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 723 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 723 A HN 0.000 nan 8.150 nan 0.000 0.486