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 3i01_1_A DATA FIRST_RESID 2 DATA SEQUENCE PRFRDLSHNC RPSEAPRVME PKNRDRTVDP AVLEMLVKSK DDKVITAFDR DATA SEQUENCE FVAQQPQCKI GYEGICCRFC MAGPCRIKAT DGPGSRGICG ASAWTIVARN DATA SEQUENCE VGLMILTGAA AHCEHGNHIA HALVEMAEGK APDYSVKDEA KLKEVCRRVG DATA SEQUENCE IEVEGKSVLE LAQEVGEKAL EDFRRLKGEG EATWLMTTIN EGRKEKFRTH DATA SEQUENCE NVVPFGIHAS ISELVNQAHM GMDNDPVNLV FSAIRVALAD YTGEHIATDF DATA SEQUENCE SDILFGTPQP VVSEANMGVL DPDQVNFVLH GHNPLLSEII VQAAREMEGE DATA SEQUENCE AKAAGAKGIN LVGICCTGNE VLMRQGIPLV TSFASQELAI CTGAIDAMCV DATA SEQUENCE DVQCIMPSIS AVAECYHTRI ITTADNAKIP GAYHIDYQTA TAIESAKTAI DATA SEQUENCE RMAIEAFKER KESNRPVYIP QIKNRVVAGW SLEALTKLLA TQNAQNPIRV DATA SEQUENCE LNQAILDGEL AGVALICGCN NLKGFQDNSH LTVMKELLKN NVFVVATGCS DATA SEQUENCE AQAAGKLGLL DPANVETYCG DGLKGFLKRL GEGANIEIGL PPVFHMGSCV DATA SEQUENCE DNSRAVDLLM AMANDLGVDT PKVPFVASAP EAMSGKAAAI GTWWVSLGVP DATA SEQUENCE THVGTMPPVE GSDLIYSILT QIASDVYGGY FIFEMDPQVA ARKILDALEY DATA SEQUENCE RTWKLGVHKE VAERYETKLC QGY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 176.743 177.300 -0.929 0.000 1.155 2 P CA 0.000 62.547 63.100 -0.923 0.000 0.800 2 P CB 0.000 30.800 31.700 -1.499 0.000 0.726 3 R N -0.136 119.992 120.500 -0.619 0.000 2.343 3 R HA 0.672 5.012 4.340 -0.000 0.000 0.320 3 R C -0.732 175.316 176.300 -0.420 0.000 0.956 3 R CA -0.219 55.625 56.100 -0.426 0.000 0.836 3 R CB 0.766 30.977 30.300 -0.147 0.000 1.151 3 R HN 0.228 nan 8.270 nan 0.000 0.450 4 F N 1.039 120.949 119.950 -0.067 0.000 2.378 4 F HA 0.337 4.864 4.527 -0.000 0.000 0.325 4 F C 2.011 177.785 175.800 -0.043 0.000 1.097 4 F CA -0.571 57.414 58.000 -0.024 0.000 1.079 4 F CB 0.974 39.882 39.000 -0.153 0.000 1.240 4 F HN 0.421 nan 8.300 nan 0.000 0.519 5 R N 0.457 121.039 120.500 0.136 0.000 2.083 5 R HA -0.170 4.170 4.340 -0.000 0.000 0.237 5 R C 0.267 176.590 176.300 0.038 0.000 1.137 5 R CA 1.394 57.476 56.100 -0.030 0.000 0.951 5 R CB -0.255 29.961 30.300 -0.140 0.000 0.851 5 R HN 0.630 nan 8.270 nan 0.000 0.434 6 D N 1.195 121.662 120.400 0.112 0.000 2.367 6 D HA -0.034 4.605 4.640 -0.000 0.000 0.255 6 D C 1.165 177.545 176.300 0.132 0.000 1.300 6 D CA 0.139 54.198 54.000 0.099 0.000 0.959 6 D CB 0.474 41.332 40.800 0.097 0.000 1.064 6 D HN 0.230 nan 8.370 nan 0.000 0.509 7 L N 2.658 123.930 121.223 0.082 0.000 2.265 7 L HA -0.177 4.163 4.340 -0.000 0.000 0.215 7 L C 2.284 179.211 176.870 0.096 0.000 1.117 7 L CA 1.033 55.921 54.840 0.081 0.000 0.782 7 L CB -0.479 41.607 42.059 0.044 0.000 0.914 7 L HN 0.367 nan 8.230 nan 0.000 0.441 8 S N -2.181 113.574 115.700 0.091 0.000 2.607 8 S HA -0.159 4.311 4.470 -0.000 0.000 0.224 8 S C 0.844 175.535 174.600 0.152 0.000 0.969 8 S CA -0.129 58.127 58.200 0.092 0.000 0.927 8 S CB -0.650 62.583 63.200 0.055 0.000 0.772 8 S HN 0.554 nan 8.310 nan 0.000 0.533 9 H N 2.230 121.331 119.070 0.052 0.000 2.820 9 H HA 0.406 4.962 4.556 -0.000 0.000 0.278 9 H C -0.055 175.375 175.328 0.169 0.000 1.142 9 H CA -0.757 55.311 56.048 0.033 0.000 1.346 9 H CB 0.036 29.719 29.762 -0.132 0.000 1.438 9 H HN 0.606 nan 8.280 nan 0.000 0.473 10 N N 2.259 121.170 118.700 0.351 0.000 2.906 10 N HA 0.042 4.782 4.740 -0.000 0.000 0.327 10 N C 1.076 176.788 175.510 0.336 0.000 1.344 10 N CA -0.480 52.733 53.050 0.272 0.000 0.823 10 N CB 0.178 38.774 38.487 0.182 0.000 1.351 10 N HN 0.493 nan 8.380 nan 0.000 0.604 11 C N -2.263 117.205 119.300 0.281 0.000 2.472 11 C HA 0.301 4.761 4.460 -0.000 0.000 0.278 11 C C 0.375 175.636 174.990 0.451 0.000 1.447 11 C CA -0.415 58.811 59.018 0.346 0.000 1.773 11 C CB -1.168 26.758 27.740 0.309 0.000 1.793 11 C HN 0.338 nan 8.230 nan 0.000 0.544 12 R N 2.036 122.743 120.500 0.344 0.000 2.536 12 R HA 0.519 4.859 4.340 -0.000 0.000 0.279 12 R C -2.408 174.051 176.300 0.265 0.000 1.001 12 R CA -1.960 54.319 56.100 0.298 0.000 1.027 12 R CB 0.141 30.521 30.300 0.133 0.000 1.096 12 R HN 0.293 nan 8.270 nan 0.000 0.502 13 P HA 0.000 nan 4.420 nan 0.000 0.274 13 P C 0.004 177.375 177.300 0.118 0.000 1.237 13 P CA -0.258 62.959 63.100 0.195 0.000 0.793 13 P CB 0.542 32.359 31.700 0.194 0.000 0.977 14 S N 0.777 116.527 115.700 0.083 0.000 2.592 14 S HA -0.014 4.456 4.470 -0.000 0.000 0.256 14 S C 0.985 175.615 174.600 0.049 0.000 1.369 14 S CA -0.094 58.136 58.200 0.050 0.000 0.984 14 S CB -0.113 63.100 63.200 0.023 0.000 0.919 14 S HN 0.397 nan 8.310 nan 0.000 0.576 15 E N 0.476 120.695 120.200 0.033 0.000 2.512 15 E HA 0.232 4.581 4.350 -0.000 0.000 0.195 15 E C 0.895 177.509 176.600 0.023 0.000 1.083 15 E CA 0.380 56.797 56.400 0.027 0.000 0.873 15 E CB -0.982 28.730 29.700 0.019 0.000 0.897 15 E HN 0.706 nan 8.360 nan 0.000 0.514 16 A N 2.894 125.728 122.820 0.023 0.000 2.555 16 A HA 0.173 4.492 4.320 -0.000 0.000 0.233 16 A C -1.961 175.636 177.584 0.023 0.000 1.060 16 A CA -0.769 51.277 52.037 0.016 0.000 0.759 16 A CB -0.365 18.643 19.000 0.013 0.000 0.995 16 A HN -0.060 nan 8.150 nan 0.000 0.506 17 P HA 0.233 nan 4.420 nan 0.000 0.272 17 P C 0.512 177.828 177.300 0.028 0.000 1.223 17 P CA -0.464 62.645 63.100 0.016 0.000 0.784 17 P CB 0.490 32.196 31.700 0.010 0.000 0.923 18 R N 0.495 121.008 120.500 0.021 0.000 2.127 18 R HA 0.109 4.449 4.340 -0.000 0.000 0.217 18 R C 0.097 176.423 176.300 0.043 0.000 1.074 18 R CA 0.689 56.809 56.100 0.033 0.000 0.991 18 R CB -0.490 29.791 30.300 -0.032 0.000 0.895 18 R HN 0.290 nan 8.270 nan 0.000 0.450 19 V N 2.690 122.633 119.914 0.048 0.000 2.350 19 V HA 0.228 4.348 4.120 -0.000 0.000 0.285 19 V C 0.186 176.347 176.094 0.112 0.000 1.014 19 V CA -0.703 61.671 62.300 0.123 0.000 0.831 19 V CB 1.729 33.675 31.823 0.204 0.000 1.000 19 V HN 0.085 nan 8.190 nan 0.000 0.433 20 M N 3.768 123.432 119.600 0.106 0.000 2.356 20 M HA 0.145 4.625 4.480 -0.000 0.000 0.348 20 M C 0.806 177.241 176.300 0.226 0.000 1.595 20 M CA 0.667 56.018 55.300 0.086 0.000 1.095 20 M CB -1.013 31.562 32.600 -0.043 0.000 1.963 20 M HN 0.800 nan 8.290 nan 0.000 0.459 21 E N 3.805 124.099 120.200 0.157 0.000 2.246 21 E HA -0.205 4.145 4.350 -0.000 0.000 0.173 21 E C -1.709 175.045 176.600 0.256 0.000 1.532 21 E CA -0.123 56.398 56.400 0.201 0.000 0.672 21 E CB -0.857 29.005 29.700 0.270 0.000 1.078 21 E HN 0.545 nan 8.360 nan 0.000 0.338 22 P HA -0.203 nan 4.420 nan 0.000 0.219 22 P C 0.705 178.131 177.300 0.210 0.000 1.146 22 P CA 1.251 64.506 63.100 0.258 0.000 0.808 22 P CB 0.245 32.023 31.700 0.130 0.000 0.779 23 K N -1.026 119.462 120.400 0.146 0.000 2.387 23 K HA 0.094 4.414 4.320 -0.000 0.000 0.198 23 K C 0.530 177.198 176.600 0.113 0.000 1.022 23 K CA -0.169 56.182 56.287 0.106 0.000 1.128 23 K CB -0.128 32.409 32.500 0.062 0.000 0.853 23 K HN 0.040 nan 8.250 nan 0.000 0.523 24 N N 2.255 121.043 118.700 0.146 0.000 2.439 24 N HA 0.024 4.764 4.740 -0.000 0.000 0.249 24 N C 0.948 176.494 175.510 0.060 0.000 1.003 24 N CA -0.190 52.926 53.050 0.109 0.000 0.942 24 N CB 0.805 39.398 38.487 0.178 0.000 1.115 24 N HN 0.114 nan 8.380 nan 0.000 0.505 25 R N 1.828 122.356 120.500 0.046 0.000 2.237 25 R HA 0.037 4.377 4.340 -0.000 0.000 0.219 25 R C -0.653 175.615 176.300 -0.053 0.000 1.080 25 R CA 0.847 56.980 56.100 0.054 0.000 0.995 25 R CB 0.070 30.404 30.300 0.058 0.000 0.875 25 R HN 0.312 nan 8.270 nan 0.000 0.462 26 D N 2.758 123.070 120.400 -0.147 0.000 3.085 26 D HA 0.027 4.666 4.640 -0.000 0.000 0.243 26 D C -0.249 175.741 176.300 -0.517 0.000 1.232 26 D CA 0.019 53.860 54.000 -0.265 0.000 0.913 26 D CB 0.297 41.010 40.800 -0.144 0.000 1.108 26 D HN 0.390 nan 8.370 nan 0.000 0.468 27 R N 0.266 120.405 120.500 -0.603 0.000 4.680 27 R HA 0.195 4.535 4.340 -0.000 0.000 0.222 27 R C 0.358 176.299 176.300 -0.598 0.000 1.803 27 R CA -0.177 55.164 56.100 -1.265 0.000 1.560 27 R CB -0.159 29.697 30.300 -0.739 0.000 1.412 27 R HN -0.120 nan 8.270 nan 0.000 0.815 28 T N -0.876 113.446 114.554 -0.386 0.000 2.889 28 T HA 0.217 4.567 4.350 -0.000 0.000 0.315 28 T C 0.307 175.072 174.700 0.109 0.000 1.291 28 T CA -0.718 61.381 62.100 -0.001 0.000 1.028 28 T CB 1.954 70.798 68.868 -0.039 0.000 1.235 28 T HN 0.146 nan 8.240 nan 0.000 0.491 29 V N 0.002 120.004 119.914 0.146 0.000 3.578 29 V HA 0.461 4.581 4.120 -0.000 0.000 0.290 29 V C 0.479 176.613 176.094 0.066 0.000 1.376 29 V CA 0.022 62.393 62.300 0.118 0.000 1.083 29 V CB 0.059 31.956 31.823 0.123 0.000 0.911 29 V HN 0.770 nan 8.190 nan 0.000 0.433 30 D N 2.721 123.150 120.400 0.049 0.000 2.339 30 D HA 0.244 4.884 4.640 -0.000 0.000 0.256 30 D C -1.407 174.894 176.300 0.002 0.000 1.214 30 D CA -1.917 52.100 54.000 0.028 0.000 0.877 30 D CB 2.109 42.928 40.800 0.032 0.000 1.111 30 D HN 0.205 nan 8.370 nan 0.000 0.478 31 P HA -0.055 nan 4.420 nan 0.000 0.219 31 P C 1.038 178.335 177.300 -0.005 0.000 1.150 31 P CA 0.820 63.922 63.100 0.003 0.000 0.814 31 P CB 0.141 31.851 31.700 0.015 0.000 0.787 32 A N -0.043 122.776 122.820 -0.001 0.000 1.908 32 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 32 A C 2.354 179.922 177.584 -0.027 0.000 1.181 32 A CA 2.088 54.125 52.037 0.000 0.000 0.627 32 A CB -1.719 17.279 19.000 -0.003 0.000 0.818 32 A HN 0.076 nan 8.150 nan 0.000 0.445 33 V N -0.001 119.875 119.914 -0.063 0.000 2.379 33 V HA -0.219 3.900 4.120 -0.000 0.000 0.245 33 V C 2.534 178.502 176.094 -0.210 0.000 1.044 33 V CA 1.721 63.935 62.300 -0.143 0.000 1.036 33 V CB -0.835 30.889 31.823 -0.165 0.000 0.664 33 V HN 0.557 nan 8.190 nan 0.000 0.453 34 L N -0.179 120.945 121.223 -0.165 0.000 2.042 34 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 34 L C 2.627 179.429 176.870 -0.114 0.000 1.076 34 L CA 1.882 56.630 54.840 -0.153 0.000 0.749 34 L CB -0.668 41.337 42.059 -0.090 0.000 0.893 34 L HN 0.392 nan 8.230 nan 0.000 0.432 35 E N -0.459 119.704 120.200 -0.061 0.000 2.058 35 E HA -0.248 4.102 4.350 -0.000 0.000 0.194 35 E C 2.273 178.826 176.600 -0.078 0.000 0.997 35 E CA 1.330 57.706 56.400 -0.040 0.000 0.801 35 E CB -0.092 29.655 29.700 0.078 0.000 0.746 35 E HN 0.354 nan 8.360 nan 0.000 0.450 36 M N 0.219 119.789 119.600 -0.049 0.000 2.213 36 M HA -0.115 4.365 4.480 -0.000 0.000 0.263 36 M C 2.306 178.541 176.300 -0.108 0.000 1.062 36 M CA 1.217 56.481 55.300 -0.060 0.000 1.105 36 M CB -0.819 31.753 32.600 -0.046 0.000 1.385 36 M HN 0.154 nan 8.290 nan 0.000 0.417 37 L N -0.720 120.404 121.223 -0.164 0.000 2.191 37 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 37 L C 2.446 179.244 176.870 -0.121 0.000 1.103 37 L CA 0.464 55.200 54.840 -0.173 0.000 0.769 37 L CB -0.613 41.282 42.059 -0.274 0.000 0.908 37 L HN 0.059 nan 8.230 nan 0.000 0.438 38 V N 0.131 119.970 119.914 -0.126 0.000 2.255 38 V HA -0.369 3.751 4.120 -0.000 0.000 0.247 38 V C 2.560 178.589 176.094 -0.107 0.000 1.051 38 V CA 2.223 64.453 62.300 -0.118 0.000 1.018 38 V CB -0.522 31.213 31.823 -0.148 0.000 0.641 38 V HN 0.457 nan 8.190 nan 0.000 0.445 39 K N 0.527 120.851 120.400 -0.126 0.000 2.001 39 K HA -0.194 4.125 4.320 -0.000 0.000 0.208 39 K C 2.471 179.065 176.600 -0.010 0.000 1.048 39 K CA 1.829 58.064 56.287 -0.086 0.000 0.932 39 K CB -0.335 32.104 32.500 -0.101 0.000 0.715 39 K HN 0.595 nan 8.250 nan 0.000 0.437 40 S N 0.865 116.564 115.700 -0.001 0.000 2.383 40 S HA -0.232 4.238 4.470 -0.000 0.000 0.229 40 S C 2.035 176.648 174.600 0.022 0.000 1.030 40 S CA 1.596 59.822 58.200 0.044 0.000 1.002 40 S CB -0.341 62.882 63.200 0.038 0.000 0.829 40 S HN 0.383 nan 8.310 nan 0.000 0.467 41 K N 1.084 121.478 120.400 -0.010 0.000 2.057 41 K HA -0.165 4.155 4.320 -0.000 0.000 0.206 41 K C 1.539 178.132 176.600 -0.012 0.000 1.050 41 K CA 1.738 58.018 56.287 -0.012 0.000 0.935 41 K CB -0.420 32.065 32.500 -0.027 0.000 0.715 41 K HN 0.282 nan 8.250 nan 0.000 0.439 42 D N 1.457 121.845 120.400 -0.019 0.000 2.116 42 D HA -0.166 4.474 4.640 -0.000 0.000 0.193 42 D C 1.188 177.485 176.300 -0.005 0.000 0.998 42 D CA 1.292 55.282 54.000 -0.018 0.000 0.836 42 D CB -0.336 40.447 40.800 -0.028 0.000 0.951 42 D HN 0.281 nan 8.370 nan 0.000 0.449 43 D N 0.251 120.660 120.400 0.015 0.000 2.363 43 D HA -0.021 4.619 4.640 -0.000 0.000 0.226 43 D C 0.321 176.613 176.300 -0.014 0.000 1.020 43 D CA 0.146 54.153 54.000 0.012 0.000 0.892 43 D CB -0.048 40.800 40.800 0.080 0.000 0.900 43 D HN 0.276 nan 8.370 nan 0.000 0.531 44 K N -0.643 119.753 120.400 -0.006 0.000 3.012 44 K HA -0.164 4.156 4.320 -0.000 0.000 0.259 44 K C -0.527 176.070 176.600 -0.005 0.000 0.989 44 K CA 0.083 56.365 56.287 -0.010 0.000 0.728 44 K CB -1.767 30.720 32.500 -0.021 0.000 1.260 44 K HN 0.058 nan 8.250 nan 0.000 0.480 45 V N 1.794 121.720 119.914 0.019 0.000 2.407 45 V HA 0.282 4.402 4.120 -0.000 0.000 0.278 45 V C 0.738 176.859 176.094 0.045 0.000 1.037 45 V CA -0.622 61.701 62.300 0.038 0.000 0.900 45 V CB 1.253 33.138 31.823 0.103 0.000 0.983 45 V HN 0.172 nan 8.190 nan 0.000 0.459 46 I N 5.399 125.992 120.570 0.039 0.000 2.441 46 I HA 0.369 4.539 4.170 -0.000 0.000 0.287 46 I C 0.803 176.958 176.117 0.065 0.000 1.049 46 I CA 0.277 61.605 61.300 0.047 0.000 1.381 46 I CB 1.281 39.300 38.000 0.032 0.000 1.409 46 I HN 0.803 nan 8.210 nan 0.000 0.523 47 T N 1.899 116.507 114.554 0.090 0.000 2.807 47 T HA 0.574 4.923 4.350 -0.000 0.000 0.277 47 T C 0.929 175.683 174.700 0.090 0.000 1.006 47 T CA -0.204 61.962 62.100 0.109 0.000 1.006 47 T CB 1.616 70.598 68.868 0.191 0.000 1.274 47 T HN 0.510 nan 8.240 nan 0.000 0.569 48 A N -0.305 122.526 122.820 0.017 0.000 2.019 48 A HA 0.131 4.451 4.320 -0.000 0.000 0.219 48 A C 1.842 179.355 177.584 -0.119 0.000 1.164 48 A CA 1.167 53.141 52.037 -0.105 0.000 0.644 48 A CB -1.314 17.519 19.000 -0.279 0.000 0.805 48 A HN 0.740 nan 8.150 nan 0.000 0.449 49 F N 0.636 120.595 119.950 0.016 0.000 2.171 49 F HA -0.151 4.376 4.527 -0.000 0.000 0.300 49 F C 2.166 178.006 175.800 0.067 0.000 1.090 49 F CA 1.675 59.684 58.000 0.016 0.000 1.293 49 F CB -0.194 38.773 39.000 -0.054 0.000 1.013 49 F HN 0.269 nan 8.300 nan 0.000 0.486 50 D N -0.316 120.209 120.400 0.207 0.000 2.162 50 D HA -0.060 4.580 4.640 -0.000 0.000 0.203 50 D C 2.279 178.632 176.300 0.089 0.000 0.967 50 D CA 0.630 54.707 54.000 0.129 0.000 0.840 50 D CB -0.243 40.611 40.800 0.089 0.000 0.972 50 D HN 0.308 nan 8.370 nan 0.000 0.482 51 R N 0.273 120.819 120.500 0.076 0.000 2.073 51 R HA -0.114 4.226 4.340 -0.000 0.000 0.234 51 R C 2.320 178.639 176.300 0.032 0.000 1.134 51 R CA 0.737 56.861 56.100 0.039 0.000 0.952 51 R CB -0.574 29.745 30.300 0.032 0.000 0.850 51 R HN 0.148 nan 8.270 nan 0.000 0.433 52 F N 1.558 121.486 119.950 -0.037 0.000 2.063 52 F HA -0.297 4.230 4.527 -0.001 0.000 0.298 52 F C 2.169 177.964 175.800 -0.010 0.000 1.109 52 F CA 1.633 59.613 58.000 -0.034 0.000 1.212 52 F CB -0.435 38.527 39.000 -0.063 0.000 0.973 52 F HN -0.265 nan 8.300 nan 0.000 0.480 53 V N 0.511 120.476 119.914 0.085 0.000 2.287 53 V HA -0.355 3.765 4.120 -0.000 0.000 0.248 53 V C 2.714 178.739 176.094 -0.114 0.000 1.053 53 V CA 1.974 64.277 62.300 0.006 0.000 1.027 53 V CB -1.578 30.309 31.823 0.106 0.000 0.646 53 V HN 0.533 nan 8.190 nan 0.000 0.447 54 A N -1.188 121.584 122.820 -0.080 0.000 2.019 54 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 54 A C 2.096 179.603 177.584 -0.129 0.000 1.164 54 A CA 1.226 53.215 52.037 -0.079 0.000 0.644 54 A CB -0.370 18.607 19.000 -0.039 0.000 0.805 54 A HN 0.526 nan 8.150 nan 0.000 0.449 55 Q N 0.035 119.709 119.800 -0.210 0.000 2.437 55 Q HA -0.027 4.313 4.340 -0.000 0.000 0.210 55 Q C 0.141 175.989 176.000 -0.254 0.000 0.972 55 Q CA 0.607 56.271 55.803 -0.230 0.000 0.903 55 Q CB -0.126 28.449 28.738 -0.272 0.000 0.967 55 Q HN 0.601 nan 8.270 nan 0.000 0.486 56 Q N 1.601 121.231 119.800 -0.284 0.000 2.288 56 Q HA 0.252 4.592 4.340 -0.000 0.000 0.254 56 Q C -1.946 173.973 176.000 -0.135 0.000 0.932 56 Q CA -1.663 53.995 55.803 -0.242 0.000 0.902 56 Q CB 0.308 28.909 28.738 -0.227 0.000 1.203 56 Q HN 0.120 nan 8.270 nan 0.000 0.415 57 P HA 0.190 nan 4.420 nan 0.000 0.285 57 P C -0.767 176.460 177.300 -0.122 0.000 1.259 57 P CA -0.371 62.658 63.100 -0.117 0.000 0.794 57 P CB 1.055 32.707 31.700 -0.080 0.000 0.940 58 Q N 0.560 120.273 119.800 -0.145 0.000 2.260 58 Q HA 0.241 4.580 4.340 -0.000 0.000 0.242 58 Q C -0.079 175.877 176.000 -0.073 0.000 0.932 58 Q CA -0.548 55.187 55.803 -0.114 0.000 0.891 58 Q CB 1.138 29.802 28.738 -0.124 0.000 1.222 58 Q HN 0.536 nan 8.270 nan 0.000 0.453 59 C N 3.076 122.359 119.300 -0.029 0.000 2.601 59 C HA -0.018 4.441 4.460 -0.000 0.000 0.405 59 C C 1.786 176.799 174.990 0.038 0.000 1.441 59 C CA 0.220 59.238 59.018 0.000 0.000 1.555 59 C CB -0.838 26.909 27.740 0.013 0.000 2.450 59 C HN 0.913 nan 8.230 nan 0.000 0.614 60 K N 3.795 124.210 120.400 0.026 0.000 2.057 60 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 60 K C 1.733 178.406 176.600 0.120 0.000 1.050 60 K CA 1.671 58.002 56.287 0.074 0.000 0.935 60 K CB -0.073 32.446 32.500 0.032 0.000 0.715 60 K HN 0.866 nan 8.250 nan 0.000 0.439 61 I N 0.551 121.162 120.570 0.068 0.000 2.118 61 I HA -0.252 3.918 4.170 -0.000 0.000 0.241 61 I C 2.462 178.616 176.117 0.062 0.000 1.070 61 I CA 1.685 63.018 61.300 0.053 0.000 1.327 61 I CB -0.658 37.359 38.000 0.029 0.000 1.034 61 I HN 0.348 nan 8.210 nan 0.000 0.405 62 G N -0.545 108.297 108.800 0.070 0.000 2.408 62 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.217 62 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.217 62 G C 1.647 176.603 174.900 0.092 0.000 1.150 62 G CA 0.564 45.706 45.100 0.070 0.000 0.776 62 G HN 0.381 nan 8.290 nan 0.000 0.542 63 Y N 1.557 121.853 120.300 -0.007 0.000 2.207 63 Y HA -0.113 4.437 4.550 -0.000 0.000 0.287 63 Y C 2.480 178.367 175.900 -0.022 0.000 1.156 63 Y CA 2.061 60.153 58.100 -0.013 0.000 1.182 63 Y CB 0.071 38.525 38.460 -0.011 0.000 0.979 63 Y HN 0.362 nan 8.280 nan 0.000 0.521 64 E N -1.084 119.115 120.200 -0.001 0.000 2.489 64 E HA 0.152 4.502 4.350 -0.000 0.000 0.193 64 E C 1.382 177.944 176.600 -0.063 0.000 1.057 64 E CA 0.495 56.847 56.400 -0.079 0.000 0.866 64 E CB 0.032 29.739 29.700 0.012 0.000 0.916 64 E HN 0.607 nan 8.360 nan 0.000 0.500 65 G N 2.217 110.995 108.800 -0.037 0.000 2.141 65 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.242 65 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.242 65 G C 0.741 175.637 174.900 -0.007 0.000 0.982 65 G CA 0.438 45.523 45.100 -0.025 0.000 0.662 65 G HN 0.407 nan 8.290 nan 0.000 0.527 66 I N -1.960 118.610 120.570 0.000 0.000 3.941 66 I HA 0.517 4.686 4.170 -0.000 0.000 0.335 66 I C 0.991 177.107 176.117 -0.000 0.000 1.402 66 I CA -0.636 60.661 61.300 -0.006 0.000 1.112 66 I CB 0.239 38.234 38.000 -0.008 0.000 1.043 66 I HN 0.209 nan 8.210 nan 0.000 0.395 67 C N 1.421 120.731 119.300 0.016 0.000 2.295 67 C HA 0.671 5.131 4.460 -0.000 0.000 0.331 67 C C 0.295 175.313 174.990 0.047 0.000 1.280 67 C CA -0.656 58.377 59.018 0.025 0.000 1.746 67 C CB 0.400 28.160 27.740 0.032 0.000 2.328 67 C HN 0.689 nan 8.230 nan 0.000 0.521 68 C N 7.256 126.584 119.300 0.048 0.000 2.322 68 C HA 0.676 5.136 4.460 -0.000 0.000 0.324 68 C C 0.606 175.671 174.990 0.124 0.000 1.284 68 C CA -0.501 58.578 59.018 0.102 0.000 1.606 68 C CB 0.022 27.788 27.740 0.043 0.000 2.251 68 C HN 1.029 nan 8.230 nan 0.000 0.502 69 R N 3.925 124.545 120.500 0.199 0.000 2.698 69 R HA 0.178 4.518 4.340 -0.000 0.000 0.422 69 R C -0.162 176.182 176.300 0.074 0.000 1.073 69 R CA -0.169 55.990 56.100 0.099 0.000 1.054 69 R CB 0.135 30.448 30.300 0.023 0.000 1.373 69 R HN 0.671 nan 8.270 nan 0.000 0.593 70 F N 0.524 120.449 119.950 -0.043 0.000 2.802 70 F HA -0.015 4.512 4.527 -0.000 0.000 0.300 70 F C 1.366 177.108 175.800 -0.096 0.000 1.168 70 F CA -0.167 57.796 58.000 -0.061 0.000 1.433 70 F CB 0.106 39.068 39.000 -0.064 0.000 1.115 70 F HN 0.235 nan 8.300 nan 0.000 0.582 71 C N -2.627 116.703 119.300 0.049 0.000 3.314 71 C HA 0.450 4.910 4.460 -0.000 0.000 0.344 71 C C 0.860 175.844 174.990 -0.010 0.000 1.461 71 C CA -1.056 57.952 59.018 -0.017 0.000 1.249 71 C CB 0.600 28.307 27.740 -0.055 0.000 1.632 71 C HN 0.172 nan 8.230 nan 0.000 0.452 72 M N 1.568 121.160 119.600 -0.014 0.000 2.628 72 M HA 0.153 4.633 4.480 -0.000 0.000 0.232 72 M C 1.753 178.051 176.300 -0.004 0.000 1.128 72 M CA 0.902 56.197 55.300 -0.008 0.000 1.040 72 M CB -0.018 32.579 32.600 -0.006 0.000 1.608 72 M HN 0.888 nan 8.290 nan 0.000 0.507 73 A N 0.296 123.114 122.820 -0.003 0.000 2.021 73 A HA 0.286 4.606 4.320 -0.000 0.000 0.216 73 A C 1.536 179.120 177.584 -0.001 0.000 1.163 73 A CA 0.802 52.838 52.037 -0.002 0.000 0.676 73 A CB -0.637 18.361 19.000 -0.003 0.000 0.818 73 A HN 0.467 nan 8.150 nan 0.000 0.453 74 G N 0.009 108.811 108.800 0.004 0.000 2.486 74 G HA2 0.421 4.381 3.960 -0.000 0.000 0.272 74 G HA3 0.421 4.381 3.960 -0.000 0.000 0.272 74 G C -2.331 172.571 174.900 0.003 0.000 1.426 74 G CA -0.764 44.340 45.100 0.007 0.000 1.058 74 G HN 0.254 nan 8.290 nan 0.000 0.531 75 P HA 0.318 nan 4.420 nan 0.000 0.268 75 P C -0.664 176.640 177.300 0.007 0.000 1.205 75 P CA -0.245 62.862 63.100 0.012 0.000 0.771 75 P CB 0.712 32.419 31.700 0.011 0.000 0.858 76 C N 3.189 122.494 119.300 0.010 0.000 2.435 76 C HA 0.741 5.201 4.460 -0.000 0.000 0.333 76 C C 0.384 175.371 174.990 -0.004 0.000 1.202 76 C CA -0.400 58.616 59.018 -0.003 0.000 1.830 76 C CB 1.060 28.794 27.740 -0.011 0.000 2.326 76 C HN 0.699 nan 8.230 nan 0.000 0.507 77 R N 1.904 122.397 120.500 -0.012 0.000 2.725 77 R HA 0.651 4.990 4.340 -0.000 0.000 0.277 77 R C -1.412 174.873 176.300 -0.025 0.000 0.987 77 R CA -0.690 55.402 56.100 -0.013 0.000 0.901 77 R CB 0.751 31.049 30.300 -0.004 0.000 1.207 77 R HN 0.467 nan 8.270 nan 0.000 0.463 78 I N 3.363 123.915 120.570 -0.031 0.000 2.421 78 I HA 0.059 4.229 4.170 -0.000 0.000 0.291 78 I C 0.726 176.827 176.117 -0.026 0.000 1.089 78 I CA 0.187 61.462 61.300 -0.040 0.000 1.354 78 I CB 0.849 38.819 38.000 -0.049 0.000 1.413 78 I HN 0.813 nan 8.210 nan 0.000 0.513 79 K N 4.352 124.737 120.400 -0.026 0.000 2.334 79 K HA 0.375 4.695 4.320 -0.000 0.000 0.195 79 K C 0.557 177.148 176.600 -0.015 0.000 1.045 79 K CA 0.327 56.604 56.287 -0.017 0.000 1.004 79 K CB 0.657 33.148 32.500 -0.015 0.000 0.837 79 K HN 0.712 nan 8.250 nan 0.000 0.510 80 A N 0.114 122.921 122.820 -0.021 0.000 2.583 80 A HA 0.328 4.648 4.320 -0.000 0.000 0.289 80 A C 0.392 177.964 177.584 -0.021 0.000 1.151 80 A CA -0.490 51.538 52.037 -0.016 0.000 0.695 80 A CB 0.906 19.898 19.000 -0.014 0.000 1.290 80 A HN 0.073 nan 8.150 nan 0.000 0.419 81 T N -2.422 112.125 114.554 -0.012 0.000 3.081 81 T HA 0.347 4.696 4.350 -0.000 0.000 0.250 81 T C 0.052 174.744 174.700 -0.013 0.000 1.100 81 T CA 1.182 63.276 62.100 -0.010 0.000 1.038 81 T CB -0.750 68.123 68.868 0.008 0.000 0.962 81 T HN 0.875 nan 8.240 nan 0.000 0.516 82 D N -1.241 119.151 120.400 -0.014 0.000 2.583 82 D HA 0.611 5.251 4.640 -0.000 0.000 0.248 82 D C 0.309 176.600 176.300 -0.016 0.000 1.209 82 D CA -0.160 53.833 54.000 -0.013 0.000 0.848 82 D CB 0.948 41.746 40.800 -0.003 0.000 1.431 82 D HN 0.382 nan 8.370 nan 0.000 0.436 83 G N -0.049 108.741 108.800 -0.016 0.000 2.698 83 G HA2 -0.109 3.850 3.960 -0.000 0.000 0.225 83 G HA3 -0.109 3.850 3.960 -0.000 0.000 0.225 83 G C -2.122 172.764 174.900 -0.022 0.000 1.345 83 G CA -0.369 44.721 45.100 -0.016 0.000 0.871 83 G HN 0.591 nan 8.290 nan 0.000 0.540 84 P HA 0.145 nan 4.420 nan 0.000 0.230 84 P C 1.417 178.701 177.300 -0.028 0.000 1.158 84 P CA 1.720 64.806 63.100 -0.023 0.000 0.769 84 P CB -0.032 31.658 31.700 -0.017 0.000 0.807 85 G N -0.185 108.599 108.800 -0.028 0.000 3.284 85 G HA2 0.018 3.978 3.960 -0.000 0.000 0.236 85 G HA3 0.018 3.978 3.960 -0.000 0.000 0.236 85 G C 1.015 175.890 174.900 -0.042 0.000 1.158 85 G CA 0.213 45.294 45.100 -0.031 0.000 0.774 85 G HN 0.354 nan 8.290 nan 0.000 0.545 86 S N -0.741 114.928 115.700 -0.052 0.000 2.556 86 S HA 0.380 4.850 4.470 -0.000 0.000 0.216 86 S C 0.849 175.382 174.600 -0.111 0.000 0.970 86 S CA -0.516 57.642 58.200 -0.070 0.000 0.912 86 S CB 0.610 63.773 63.200 -0.061 0.000 0.790 86 S HN 0.281 nan 8.310 nan 0.000 0.504 87 R N -0.235 120.203 120.500 -0.104 0.000 2.808 87 R HA 0.623 4.962 4.340 -0.000 0.000 0.272 87 R C 0.414 176.658 176.300 -0.094 0.000 0.995 87 R CA -0.570 55.452 56.100 -0.131 0.000 0.917 87 R CB 1.218 31.439 30.300 -0.131 0.000 1.217 87 R HN 0.232 nan 8.270 nan 0.000 0.471 88 G N 0.541 109.283 108.800 -0.097 0.000 2.712 88 G HA2 0.080 4.040 3.960 -0.000 0.000 0.258 88 G HA3 0.080 4.040 3.960 -0.000 0.000 0.258 88 G C 1.005 175.875 174.900 -0.051 0.000 1.241 88 G CA -0.386 44.675 45.100 -0.066 0.000 0.923 88 G HN 0.572 nan 8.290 nan 0.000 0.548 89 I N 0.028 120.578 120.570 -0.034 0.000 2.286 89 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 89 I C 2.837 178.939 176.117 -0.025 0.000 1.115 89 I CA 1.727 63.011 61.300 -0.025 0.000 1.392 89 I CB -0.207 37.784 38.000 -0.016 0.000 1.065 89 I HN 0.628 nan 8.210 nan 0.000 0.418 90 C N -0.002 119.282 119.300 -0.027 0.000 2.522 90 C HA 0.409 4.869 4.460 -0.000 0.000 0.271 90 C C 1.852 176.825 174.990 -0.030 0.000 1.425 90 C CA -0.076 58.930 59.018 -0.021 0.000 1.751 90 C CB -1.012 26.718 27.740 -0.017 0.000 1.775 90 C HN 0.734 nan 8.230 nan 0.000 0.557 91 G N 0.079 108.849 108.800 -0.049 0.000 2.179 91 G HA2 0.146 4.106 3.960 -0.000 0.000 0.220 91 G HA3 0.146 4.106 3.960 -0.000 0.000 0.220 91 G C 0.257 175.096 174.900 -0.102 0.000 0.990 91 G CA 0.136 45.197 45.100 -0.065 0.000 0.646 91 G HN 1.534 nan 8.290 nan 0.000 0.517 92 A N 0.554 123.311 122.820 -0.106 0.000 2.567 92 A HA 0.573 4.893 4.320 -0.000 0.000 0.240 92 A C 1.056 178.488 177.584 -0.253 0.000 1.053 92 A CA 1.304 53.251 52.037 -0.150 0.000 0.755 92 A CB 0.199 19.121 19.000 -0.130 0.000 0.978 92 A HN 1.180 nan 8.150 nan 0.000 0.507 93 S N 1.340 116.785 115.700 -0.426 0.000 2.614 93 S HA 0.397 4.867 4.470 -0.000 0.000 0.265 93 S C 1.762 175.996 174.600 -0.611 0.000 1.303 93 S CA -0.094 57.657 58.200 -0.747 0.000 1.000 93 S CB 1.262 63.470 63.200 -1.653 0.000 0.935 93 S HN 1.194 nan 8.310 nan 0.000 0.551 94 A N 1.029 123.541 122.820 -0.513 0.000 1.940 94 A HA -0.146 4.173 4.320 -0.000 0.000 0.219 94 A C 1.828 179.337 177.584 -0.126 0.000 1.176 94 A CA 2.012 53.902 52.037 -0.246 0.000 0.631 94 A CB -1.021 17.900 19.000 -0.131 0.000 0.814 94 A HN 1.026 nan 8.150 nan 0.000 0.446 95 W N -0.568 120.729 121.300 -0.005 0.000 2.425 95 W HA 0.017 4.676 4.660 -0.000 0.000 0.277 95 W C 1.565 178.072 176.519 -0.021 0.000 1.231 95 W CA 1.357 58.702 57.345 -0.001 0.000 1.248 95 W CB -1.403 28.064 29.460 0.011 0.000 1.117 95 W HN 0.075 nan 8.180 nan 0.000 0.568 96 T N 1.877 116.464 114.554 0.055 0.000 2.851 96 T HA -0.067 4.283 4.350 -0.000 0.000 0.262 96 T C 1.890 176.549 174.700 -0.068 0.000 1.043 96 T CA 1.740 63.873 62.100 0.056 0.000 1.140 96 T CB -0.331 68.512 68.868 -0.042 0.000 0.872 96 T HN 0.154 nan 8.240 nan 0.000 0.446 97 I N 0.993 121.493 120.570 -0.117 0.000 2.163 97 I HA -0.165 4.004 4.170 -0.000 0.000 0.243 97 I C 2.466 178.531 176.117 -0.087 0.000 1.085 97 I CA 0.964 62.184 61.300 -0.134 0.000 1.347 97 I CB -0.504 37.432 38.000 -0.106 0.000 1.044 97 I HN 0.078 nan 8.210 nan 0.000 0.408 98 V N 1.102 121.001 119.914 -0.025 0.000 2.287 98 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 98 V C 2.709 178.807 176.094 0.007 0.000 1.053 98 V CA 2.134 64.438 62.300 0.007 0.000 1.027 98 V CB -0.970 30.886 31.823 0.054 0.000 0.646 98 V HN 0.516 nan 8.190 nan 0.000 0.447 99 A N -0.342 122.494 122.820 0.027 0.000 1.930 99 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 99 A C 2.351 179.920 177.584 -0.026 0.000 1.175 99 A CA 1.571 53.628 52.037 0.033 0.000 0.627 99 A CB -0.475 18.569 19.000 0.074 0.000 0.815 99 A HN 0.504 nan 8.150 nan 0.000 0.443 100 R N -0.273 120.143 120.500 -0.140 0.000 2.091 100 R HA -0.134 4.206 4.340 -0.000 0.000 0.238 100 R C 1.796 178.050 176.300 -0.077 0.000 1.136 100 R CA 1.576 57.487 56.100 -0.316 0.000 0.959 100 R CB -0.337 29.407 30.300 -0.925 0.000 0.856 100 R HN 0.515 nan 8.270 nan 0.000 0.437 101 N N 0.150 118.837 118.700 -0.022 0.000 2.173 101 N HA -0.110 4.629 4.740 -0.000 0.000 0.184 101 N C 1.798 177.344 175.510 0.060 0.000 1.025 101 N CA 0.828 53.928 53.050 0.083 0.000 0.852 101 N CB -0.390 38.127 38.487 0.050 0.000 0.998 101 N HN 0.014 nan 8.380 nan 0.000 0.427 102 V N 1.113 121.039 119.914 0.019 0.000 2.427 102 V HA -0.060 4.060 4.120 -0.000 0.000 0.248 102 V C 2.104 178.223 176.094 0.042 0.000 1.051 102 V CA 2.092 64.397 62.300 0.007 0.000 1.048 102 V CB -0.897 30.910 31.823 -0.027 0.000 0.666 102 V HN 0.335 nan 8.190 nan 0.000 0.456 103 G N -0.177 108.658 108.800 0.058 0.000 2.422 103 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 103 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 103 G C 1.530 176.492 174.900 0.103 0.000 1.146 103 G CA 1.175 46.322 45.100 0.078 0.000 0.769 103 G HN 0.510 nan 8.290 nan 0.000 0.547 104 L N 0.425 121.736 121.223 0.147 0.000 2.012 104 L HA 0.011 4.351 4.340 -0.000 0.000 0.210 104 L C 2.835 179.756 176.870 0.085 0.000 1.073 104 L CA 1.853 56.790 54.840 0.162 0.000 0.748 104 L CB -0.362 41.840 42.059 0.238 0.000 0.891 104 L HN 0.275 nan 8.230 nan 0.000 0.431 105 M N -1.155 118.482 119.600 0.061 0.000 2.132 105 M HA -0.171 4.309 4.480 -0.000 0.000 0.263 105 M C 2.270 178.586 176.300 0.027 0.000 1.065 105 M CA 1.833 57.150 55.300 0.029 0.000 1.122 105 M CB -0.482 32.123 32.600 0.009 0.000 1.365 105 M HN 0.223 nan 8.290 nan 0.000 0.411 106 I N 0.602 121.196 120.570 0.041 0.000 2.194 106 I HA -0.329 3.841 4.170 -0.000 0.000 0.246 106 I C 2.308 178.456 176.117 0.052 0.000 1.093 106 I CA 1.440 62.771 61.300 0.052 0.000 1.355 106 I CB -0.496 37.543 38.000 0.065 0.000 1.046 106 I HN 0.271 nan 8.210 nan 0.000 0.413 107 L N 0.180 121.438 121.223 0.057 0.000 2.017 107 L HA -0.224 4.115 4.340 -0.000 0.000 0.208 107 L C 2.896 179.786 176.870 0.033 0.000 1.073 107 L CA 2.128 57.001 54.840 0.055 0.000 0.745 107 L CB -1.013 41.090 42.059 0.074 0.000 0.894 107 L HN 0.454 nan 8.230 nan 0.000 0.432 108 T N -3.151 111.416 114.554 0.020 0.000 2.720 108 T HA -0.141 4.209 4.350 -0.000 0.000 0.268 108 T C 1.915 176.592 174.700 -0.039 0.000 1.037 108 T CA 1.186 63.282 62.100 -0.007 0.000 1.144 108 T CB -1.013 67.847 68.868 -0.015 0.000 0.864 108 T HN 0.399 nan 8.240 nan 0.000 0.444 109 G N 1.063 109.839 108.800 -0.039 0.000 2.402 109 G HA2 0.150 4.110 3.960 -0.000 0.000 0.216 109 G HA3 0.150 4.110 3.960 -0.000 0.000 0.216 109 G C 1.926 176.782 174.900 -0.075 0.000 1.162 109 G CA 0.743 45.785 45.100 -0.098 0.000 0.777 109 G HN 0.753 nan 8.290 nan 0.000 0.539 110 A N 1.139 123.978 122.820 0.031 0.000 1.930 110 A HA 0.354 4.674 4.320 -0.000 0.000 0.217 110 A C 2.788 180.397 177.584 0.041 0.000 1.175 110 A CA 2.022 54.105 52.037 0.077 0.000 0.627 110 A CB -0.707 18.332 19.000 0.065 0.000 0.815 110 A HN 0.708 nan 8.150 nan 0.000 0.443 111 A N -0.022 122.809 122.820 0.019 0.000 1.902 111 A HA 0.152 4.471 4.320 -0.000 0.000 0.217 111 A C 2.486 180.078 177.584 0.013 0.000 1.181 111 A CA 2.072 54.124 52.037 0.025 0.000 0.623 111 A CB -0.959 18.064 19.000 0.038 0.000 0.818 111 A HN 0.998 nan 8.150 nan 0.000 0.443 112 A N -0.753 122.040 122.820 -0.046 0.000 1.877 112 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 112 A C 1.934 179.506 177.584 -0.019 0.000 1.186 112 A CA 1.755 53.745 52.037 -0.079 0.000 0.620 112 A CB -0.991 17.890 19.000 -0.199 0.000 0.822 112 A HN 0.728 nan 8.150 nan 0.000 0.443 113 H N -1.719 117.377 119.070 0.043 0.000 2.387 113 H HA -0.163 4.393 4.556 -0.000 0.000 0.299 113 H C 2.369 177.738 175.328 0.069 0.000 1.090 113 H CA 1.207 57.280 56.048 0.042 0.000 1.332 113 H CB -0.129 29.641 29.762 0.014 0.000 1.386 113 H HN 0.651 nan 8.280 nan 0.000 0.516 114 C N 1.020 120.428 119.300 0.179 0.000 2.429 114 C HA -0.127 4.333 4.460 -0.000 0.000 0.277 114 C C 2.718 177.788 174.990 0.133 0.000 1.262 114 C CA 1.138 60.268 59.018 0.186 0.000 1.733 114 C CB -0.572 27.189 27.740 0.036 0.000 2.010 114 C HN 0.593 nan 8.230 nan 0.000 0.483 115 E N -0.226 120.032 120.200 0.096 0.000 2.058 115 E HA -0.295 4.055 4.350 -0.000 0.000 0.194 115 E C 1.925 178.601 176.600 0.127 0.000 0.997 115 E CA 2.005 58.443 56.400 0.063 0.000 0.801 115 E CB -0.766 28.962 29.700 0.046 0.000 0.746 115 E HN 0.922 nan 8.360 nan 0.000 0.450 116 H N -1.017 118.107 119.070 0.090 0.000 2.265 116 H HA -0.126 4.430 4.556 -0.000 0.000 0.295 116 H C 1.996 177.393 175.328 0.115 0.000 1.084 116 H CA 1.936 58.069 56.048 0.141 0.000 1.261 116 H CB -0.305 29.558 29.762 0.168 0.000 1.360 116 H HN 0.249 nan 8.280 nan 0.000 0.487 117 G N -0.721 108.254 108.800 0.292 0.000 2.422 117 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.218 117 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.218 117 G C 1.520 176.461 174.900 0.068 0.000 1.140 117 G CA 0.677 45.900 45.100 0.205 0.000 0.775 117 G HN 0.549 nan 8.290 nan 0.000 0.545 118 N N -0.580 117.912 118.700 -0.347 0.000 2.084 118 N HA -0.180 4.560 4.740 -0.000 0.000 0.190 118 N C 1.949 177.349 175.510 -0.183 0.000 1.030 118 N CA 1.212 53.742 53.050 -0.867 0.000 0.849 118 N CB -0.314 37.629 38.487 -0.906 0.000 1.012 118 N HN 0.573 nan 8.380 nan 0.000 0.423 119 H N 0.258 119.250 119.070 -0.130 0.000 2.290 119 H HA -0.101 4.455 4.556 -0.000 0.000 0.298 119 H C 2.112 177.473 175.328 0.054 0.000 1.087 119 H CA 1.731 57.760 56.048 -0.032 0.000 1.291 119 H CB 0.015 29.766 29.762 -0.018 0.000 1.369 119 H HN 0.247 nan 8.280 nan 0.000 0.492 120 I N 0.665 121.313 120.570 0.131 0.000 2.286 120 I HA -0.253 3.917 4.170 -0.000 0.000 0.248 120 I C 2.896 179.111 176.117 0.164 0.000 1.115 120 I CA 0.921 62.284 61.300 0.104 0.000 1.392 120 I CB -0.447 37.676 38.000 0.206 0.000 1.065 120 I HN 0.353 nan 8.210 nan 0.000 0.418 121 A N 0.346 123.320 122.820 0.256 0.000 1.930 121 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 121 A C 2.216 179.850 177.584 0.082 0.000 1.175 121 A CA 1.950 54.166 52.037 0.298 0.000 0.627 121 A CB -0.999 18.224 19.000 0.371 0.000 0.815 121 A HN 0.563 nan 8.150 nan 0.000 0.443 122 H N -0.235 118.837 119.070 0.002 0.000 2.387 122 H HA 0.080 4.636 4.556 -0.000 0.000 0.299 122 H C 2.047 177.339 175.328 -0.060 0.000 1.090 122 H CA 1.762 57.797 56.048 -0.021 0.000 1.332 122 H CB -0.120 29.639 29.762 -0.004 0.000 1.386 122 H HN 0.384 nan 8.280 nan 0.000 0.516 123 A N 0.482 123.285 122.820 -0.028 0.000 1.969 123 A HA -0.060 4.259 4.320 -0.000 0.000 0.218 123 A C 2.340 179.747 177.584 -0.294 0.000 1.169 123 A CA 1.249 53.165 52.037 -0.202 0.000 0.635 123 A CB -0.784 18.026 19.000 -0.317 0.000 0.810 123 A HN 0.494 nan 8.150 nan 0.000 0.445 124 L N -0.001 121.061 121.223 -0.267 0.000 1.994 124 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 124 L C 2.388 179.093 176.870 -0.274 0.000 1.071 124 L CA 2.037 56.682 54.840 -0.324 0.000 0.745 124 L CB -0.482 41.274 42.059 -0.506 0.000 0.892 124 L HN 0.154 nan 8.230 nan 0.000 0.431 125 V N -0.241 119.522 119.914 -0.252 0.000 2.343 125 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 125 V C 2.590 178.556 176.094 -0.213 0.000 1.051 125 V CA 2.057 64.233 62.300 -0.208 0.000 1.036 125 V CB -0.756 30.962 31.823 -0.175 0.000 0.654 125 V HN 0.569 nan 8.190 nan 0.000 0.451 126 E N -0.260 119.767 120.200 -0.288 0.000 2.058 126 E HA -0.284 4.065 4.350 -0.000 0.000 0.194 126 E C 2.273 178.790 176.600 -0.139 0.000 0.997 126 E CA 1.823 58.082 56.400 -0.235 0.000 0.801 126 E CB -0.195 29.336 29.700 -0.281 0.000 0.746 126 E HN 0.451 nan 8.360 nan 0.000 0.450 127 M N 1.038 120.554 119.600 -0.140 0.000 2.073 127 M HA -0.201 4.279 4.480 -0.000 0.000 0.258 127 M C 2.215 178.473 176.300 -0.070 0.000 1.070 127 M CA 2.219 57.474 55.300 -0.073 0.000 1.103 127 M CB -0.953 31.600 32.600 -0.079 0.000 1.321 127 M HN 0.134 nan 8.290 nan 0.000 0.405 128 A N -0.075 122.684 122.820 -0.102 0.000 2.024 128 A HA -0.172 4.147 4.320 -0.000 0.000 0.220 128 A C 1.775 179.320 177.584 -0.064 0.000 1.164 128 A CA 1.778 53.765 52.037 -0.084 0.000 0.643 128 A CB -0.773 18.165 19.000 -0.103 0.000 0.806 128 A HN 0.772 nan 8.150 nan 0.000 0.451 129 E N -1.568 118.589 120.200 -0.071 0.000 2.476 129 E HA 0.273 4.623 4.350 -0.000 0.000 0.191 129 E C 0.989 177.566 176.600 -0.039 0.000 1.064 129 E CA 0.231 56.598 56.400 -0.055 0.000 0.866 129 E CB -0.076 29.586 29.700 -0.064 0.000 0.952 129 E HN 0.735 nan 8.360 nan 0.000 0.492 130 G N 2.127 110.907 108.800 -0.033 0.000 2.141 130 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.242 130 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.242 130 G C 0.728 175.620 174.900 -0.013 0.000 0.982 130 G CA 0.374 45.463 45.100 -0.019 0.000 0.662 130 G HN 0.243 nan 8.290 nan 0.000 0.527 131 K N -0.310 120.078 120.400 -0.019 0.000 2.374 131 K HA 0.587 4.907 4.320 -0.000 0.000 0.202 131 K C 0.871 177.476 176.600 0.009 0.000 1.040 131 K CA 0.610 56.890 56.287 -0.012 0.000 1.085 131 K CB 1.073 33.556 32.500 -0.028 0.000 0.873 131 K HN 0.669 nan 8.250 nan 0.000 0.539 132 A N 1.825 124.664 122.820 0.031 0.000 3.266 132 A HA 0.265 4.585 4.320 -0.000 0.000 0.310 132 A C -2.197 175.476 177.584 0.148 0.000 1.066 132 A CA -0.965 51.139 52.037 0.112 0.000 0.839 132 A CB 0.389 19.465 19.000 0.126 0.000 1.192 132 A HN -0.087 nan 8.150 nan 0.000 0.496 133 P HA -0.162 nan 4.420 nan 0.000 0.219 133 P C 0.221 177.518 177.300 -0.005 0.000 1.146 133 P CA 1.142 64.259 63.100 0.027 0.000 0.808 133 P CB 0.191 31.895 31.700 0.006 0.000 0.779 134 D N -1.572 118.794 120.400 -0.056 0.000 2.378 134 D HA -0.031 4.609 4.640 -0.000 0.000 0.227 134 D C 0.343 176.390 176.300 -0.423 0.000 1.012 134 D CA 0.755 54.612 54.000 -0.238 0.000 0.905 134 D CB -0.338 40.273 40.800 -0.316 0.000 0.895 134 D HN 0.317 nan 8.370 nan 0.000 0.532 135 Y N -0.167 120.146 120.300 0.021 0.000 2.562 135 Y HA 0.429 4.979 4.550 -0.000 0.000 0.343 135 Y C 0.660 176.537 175.900 -0.038 0.000 1.025 135 Y CA -0.905 57.197 58.100 0.003 0.000 1.082 135 Y CB 2.028 40.467 38.460 -0.037 0.000 1.264 135 Y HN -0.237 nan 8.280 nan 0.000 0.478 136 S N -1.355 114.397 115.700 0.085 0.000 2.611 136 S HA 0.528 4.998 4.470 -0.000 0.000 0.268 136 S C -1.829 172.748 174.600 -0.038 0.000 1.156 136 S CA -1.130 57.077 58.200 0.012 0.000 0.817 136 S CB 0.894 64.100 63.200 0.011 0.000 1.122 136 S HN 0.328 nan 8.310 nan 0.000 0.466 137 V N 2.510 122.397 119.914 -0.045 0.000 2.381 137 V HA 0.219 4.339 4.120 -0.000 0.000 0.257 137 V C 1.013 177.092 176.094 -0.025 0.000 1.057 137 V CA 0.030 62.297 62.300 -0.056 0.000 1.013 137 V CB -0.205 31.589 31.823 -0.049 0.000 1.069 137 V HN 0.906 nan 8.190 nan 0.000 0.484 138 K N 1.860 122.248 120.400 -0.020 0.000 2.365 138 K HA 0.051 4.371 4.320 -0.000 0.000 0.197 138 K C 0.480 177.094 176.600 0.024 0.000 1.042 138 K CA 0.390 56.688 56.287 0.017 0.000 0.987 138 K CB 0.315 32.849 32.500 0.056 0.000 0.779 138 K HN 0.527 nan 8.250 nan 0.000 0.484 139 D N 0.915 121.325 120.400 0.018 0.000 2.404 139 D HA 0.076 4.716 4.640 -0.000 0.000 0.267 139 D C 0.065 176.379 176.300 0.024 0.000 1.194 139 D CA -0.052 53.966 54.000 0.030 0.000 0.910 139 D CB 0.902 41.732 40.800 0.049 0.000 1.090 139 D HN -0.029 nan 8.370 nan 0.000 0.511 140 E N 1.476 121.686 120.200 0.017 0.000 2.077 140 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 140 E C 1.782 178.396 176.600 0.022 0.000 0.989 140 E CA 1.210 57.618 56.400 0.013 0.000 0.800 140 E CB 0.329 30.034 29.700 0.009 0.000 0.746 140 E HN 0.539 nan 8.360 nan 0.000 0.452 141 A N 0.969 123.806 122.820 0.027 0.000 1.898 141 A HA -0.202 4.117 4.320 -0.000 0.000 0.216 141 A C 2.001 179.610 177.584 0.042 0.000 1.181 141 A CA 1.665 53.721 52.037 0.031 0.000 0.620 141 A CB -0.323 18.695 19.000 0.030 0.000 0.819 141 A HN 0.049 nan 8.150 nan 0.000 0.442 142 K N -0.383 120.049 120.400 0.054 0.000 2.020 142 K HA -0.182 4.137 4.320 -0.000 0.000 0.212 142 K C 1.825 178.475 176.600 0.084 0.000 1.050 142 K CA 1.695 58.027 56.287 0.075 0.000 0.929 142 K CB -0.525 32.029 32.500 0.091 0.000 0.714 142 K HN 0.327 nan 8.250 nan 0.000 0.443 143 L N 1.448 122.712 121.223 0.069 0.000 1.997 143 L HA -0.268 4.071 4.340 -0.000 0.000 0.216 143 L C 1.682 178.587 176.870 0.059 0.000 1.074 143 L CA 2.068 56.947 54.840 0.065 0.000 0.763 143 L CB -0.510 41.563 42.059 0.022 0.000 0.890 143 L HN 0.176 nan 8.230 nan 0.000 0.434 144 K N -0.952 119.470 120.400 0.038 0.000 2.097 144 K HA -0.184 4.135 4.320 -0.000 0.000 0.205 144 K C 2.040 178.655 176.600 0.024 0.000 1.050 144 K CA 1.156 57.459 56.287 0.027 0.000 0.938 144 K CB -0.182 32.328 32.500 0.017 0.000 0.718 144 K HN 0.313 nan 8.250 nan 0.000 0.442 145 E N 1.334 121.552 120.200 0.031 0.000 2.058 145 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 145 E C 1.833 178.442 176.600 0.014 0.000 0.997 145 E CA 1.309 57.723 56.400 0.023 0.000 0.801 145 E CB -0.246 29.475 29.700 0.036 0.000 0.746 145 E HN 0.005 nan 8.360 nan 0.000 0.450 146 V N -0.047 119.898 119.914 0.053 0.000 2.343 146 V HA -0.341 3.779 4.120 -0.000 0.000 0.247 146 V C 2.639 178.733 176.094 -0.001 0.000 1.051 146 V CA 1.792 64.124 62.300 0.052 0.000 1.036 146 V CB -0.661 31.290 31.823 0.214 0.000 0.654 146 V HN 0.458 nan 8.190 nan 0.000 0.451 147 C N -0.204 119.121 119.300 0.041 0.000 2.413 147 C HA -0.179 4.281 4.460 -0.000 0.000 0.276 147 C C 2.955 177.927 174.990 -0.030 0.000 1.236 147 C CA 1.525 60.554 59.018 0.018 0.000 1.735 147 C CB -1.202 26.557 27.740 0.032 0.000 2.031 147 C HN 0.563 nan 8.230 nan 0.000 0.474 148 R N 1.146 121.629 120.500 -0.029 0.000 2.073 148 R HA -0.121 4.219 4.340 -0.000 0.000 0.234 148 R C 2.411 178.663 176.300 -0.080 0.000 1.134 148 R CA 1.489 57.563 56.100 -0.042 0.000 0.952 148 R CB -0.617 29.667 30.300 -0.027 0.000 0.850 148 R HN 0.500 nan 8.270 nan 0.000 0.433 149 R N 0.791 121.227 120.500 -0.107 0.000 2.139 149 R HA -0.101 4.238 4.340 -0.000 0.000 0.243 149 R C 1.840 177.998 176.300 -0.237 0.000 1.145 149 R CA 1.775 57.774 56.100 -0.169 0.000 0.976 149 R CB -0.116 30.062 30.300 -0.202 0.000 0.866 149 R HN 0.315 nan 8.270 nan 0.000 0.449 150 V N -2.862 116.896 119.914 -0.260 0.000 3.421 150 V HA 0.387 4.507 4.120 -0.000 0.000 0.316 150 V C 0.708 176.711 176.094 -0.152 0.000 1.347 150 V CA 0.392 62.514 62.300 -0.297 0.000 1.183 150 V CB 0.008 31.530 31.823 -0.502 0.000 1.092 150 V HN 0.401 nan 8.190 nan 0.000 0.433 151 G N 0.971 109.708 108.800 -0.105 0.000 2.153 151 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.252 151 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.252 151 G C -0.028 174.852 174.900 -0.034 0.000 0.994 151 G CA 0.514 45.578 45.100 -0.060 0.000 0.698 151 G HN 0.647 nan 8.290 nan 0.000 0.521 152 I N 0.704 121.256 120.570 -0.030 0.000 2.395 152 I HA 0.201 4.370 4.170 -0.000 0.000 0.289 152 I C 0.598 176.712 176.117 -0.005 0.000 1.023 152 I CA -0.537 60.762 61.300 -0.003 0.000 1.350 152 I CB 1.134 39.146 38.000 0.020 0.000 1.409 152 I HN -0.021 nan 8.210 nan 0.000 0.507 153 E N 5.824 126.024 120.200 -0.000 0.000 2.070 153 E HA 0.076 4.426 4.350 -0.000 0.000 0.282 153 E C 0.651 177.252 176.600 0.002 0.000 1.104 153 E CA -0.048 56.351 56.400 -0.001 0.000 0.876 153 E CB 1.397 31.096 29.700 -0.001 0.000 1.055 153 E HN 0.445 nan 8.360 nan 0.000 0.401 154 V N 4.004 123.919 119.914 0.001 0.000 2.809 154 V HA -0.143 3.977 4.120 -0.000 0.000 0.256 154 V C 0.677 176.772 176.094 0.002 0.000 1.080 154 V CA 1.082 63.384 62.300 0.003 0.000 1.102 154 V CB -0.255 31.570 31.823 0.003 0.000 0.705 154 V HN 0.518 nan 8.190 nan 0.000 0.475 155 E N 0.379 120.579 120.200 0.000 0.000 2.299 155 E HA 0.396 4.746 4.350 -0.000 0.000 0.272 155 E C 1.074 177.674 176.600 0.000 0.000 1.043 155 E CA 0.565 56.965 56.400 0.000 0.000 0.895 155 E CB 0.572 30.272 29.700 -0.001 0.000 1.011 155 E HN 0.392 nan 8.360 nan 0.000 0.432 156 G N 3.463 112.263 108.800 0.000 0.000 2.182 156 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.248 156 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.248 156 G C -0.207 174.692 174.900 -0.001 0.000 1.042 156 G CA 0.045 45.145 45.100 -0.000 0.000 0.775 156 G HN 0.411 nan 8.290 nan 0.000 0.501 157 K N 0.453 120.852 120.400 -0.001 0.000 2.316 157 K HA 0.609 4.929 4.320 -0.000 0.000 0.251 157 K C 0.755 177.353 176.600 -0.004 0.000 0.934 157 K CA -0.164 56.122 56.287 -0.002 0.000 0.802 157 K CB 1.707 34.207 32.500 -0.000 0.000 1.171 157 K HN 0.381 nan 8.250 nan 0.000 0.426 158 S N 0.190 115.887 115.700 -0.006 0.000 2.584 158 S HA -0.028 4.442 4.470 -0.000 0.000 0.270 158 S C 1.465 176.059 174.600 -0.011 0.000 1.346 158 S CA -0.494 57.701 58.200 -0.008 0.000 1.018 158 S CB 1.099 64.293 63.200 -0.010 0.000 0.899 158 S HN 0.555 nan 8.310 nan 0.000 0.542 159 V N 1.538 121.445 119.914 -0.012 0.000 2.407 159 V HA -0.135 3.984 4.120 -0.000 0.000 0.248 159 V C 1.818 177.895 176.094 -0.029 0.000 1.055 159 V CA 1.660 63.950 62.300 -0.017 0.000 1.049 159 V CB -1.107 30.706 31.823 -0.016 0.000 0.662 159 V HN 0.860 nan 8.190 nan 0.000 0.455 160 L N -0.117 121.089 121.223 -0.029 0.000 2.093 160 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 160 L C 2.849 179.696 176.870 -0.039 0.000 1.085 160 L CA 2.245 57.061 54.840 -0.039 0.000 0.755 160 L CB -0.705 41.334 42.059 -0.034 0.000 0.904 160 L HN 0.408 nan 8.230 nan 0.000 0.435 161 E N 0.148 120.332 120.200 -0.027 0.000 2.110 161 E HA -0.216 4.133 4.350 -0.000 0.000 0.193 161 E C 2.318 178.906 176.600 -0.019 0.000 0.988 161 E CA 1.011 57.399 56.400 -0.020 0.000 0.804 161 E CB -0.041 29.652 29.700 -0.011 0.000 0.745 161 E HN 0.462 nan 8.360 nan 0.000 0.458 162 L N 0.207 121.418 121.223 -0.019 0.000 2.072 162 L HA -0.083 4.256 4.340 -0.000 0.000 0.205 162 L C 2.554 179.407 176.870 -0.029 0.000 1.079 162 L CA 0.715 55.548 54.840 -0.012 0.000 0.752 162 L CB -0.386 41.670 42.059 -0.005 0.000 0.906 162 L HN 0.142 nan 8.230 nan 0.000 0.436 163 A N -0.381 122.399 122.820 -0.065 0.000 1.908 163 A HA -0.310 4.010 4.320 -0.000 0.000 0.218 163 A C 2.235 179.734 177.584 -0.141 0.000 1.181 163 A CA 2.041 53.997 52.037 -0.135 0.000 0.627 163 A CB -0.592 18.320 19.000 -0.146 0.000 0.818 163 A HN 0.479 nan 8.150 nan 0.000 0.445 164 Q N -0.782 118.965 119.800 -0.089 0.000 1.993 164 Q HA -0.238 4.102 4.340 -0.000 0.000 0.202 164 Q C 2.171 178.154 176.000 -0.027 0.000 0.984 164 Q CA 1.915 57.678 55.803 -0.067 0.000 0.837 164 Q CB -0.213 28.497 28.738 -0.046 0.000 0.902 164 Q HN 0.788 nan 8.270 nan 0.000 0.423 165 E N -0.733 119.466 120.200 -0.002 0.000 2.110 165 E HA -0.174 4.175 4.350 -0.000 0.000 0.193 165 E C 1.960 178.616 176.600 0.093 0.000 0.988 165 E CA 1.103 57.526 56.400 0.038 0.000 0.804 165 E CB 0.062 29.783 29.700 0.036 0.000 0.745 165 E HN 0.265 nan 8.360 nan 0.000 0.458 166 V N -0.005 119.967 119.914 0.097 0.000 2.379 166 V HA -0.104 4.015 4.120 -0.000 0.000 0.245 166 V C 2.123 178.381 176.094 0.275 0.000 1.044 166 V CA 2.039 64.488 62.300 0.248 0.000 1.036 166 V CB -0.391 31.577 31.823 0.243 0.000 0.664 166 V HN 0.482 nan 8.190 nan 0.000 0.453 167 G N -0.860 107.930 108.800 -0.017 0.000 2.446 167 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.217 167 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.217 167 G C 1.405 176.369 174.900 0.107 0.000 1.168 167 G CA 1.065 46.127 45.100 -0.063 0.000 0.771 167 G HN 0.591 nan 8.290 nan 0.000 0.551 168 E N -0.032 120.219 120.200 0.086 0.000 2.072 168 E HA -0.083 4.267 4.350 -0.000 0.000 0.191 168 E C 2.398 179.092 176.600 0.157 0.000 0.985 168 E CA 1.067 57.530 56.400 0.106 0.000 0.801 168 E CB -0.062 29.682 29.700 0.072 0.000 0.750 168 E HN 0.271 nan 8.360 nan 0.000 0.452 169 K N 1.087 121.613 120.400 0.210 0.000 2.059 169 K HA -0.215 4.105 4.320 -0.000 0.000 0.212 169 K C 1.854 178.631 176.600 0.295 0.000 1.050 169 K CA 1.594 58.060 56.287 0.298 0.000 0.927 169 K CB -0.411 32.335 32.500 0.409 0.000 0.714 169 K HN 0.140 nan 8.250 nan 0.000 0.447 170 A N 0.397 123.291 122.820 0.124 0.000 1.877 170 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 170 A C 2.192 179.815 177.584 0.065 0.000 1.186 170 A CA 1.665 53.526 52.037 -0.293 0.000 0.620 170 A CB -0.720 18.019 19.000 -0.435 0.000 0.822 170 A HN 0.319 nan 8.150 nan 0.000 0.443 171 L N -0.459 120.903 121.223 0.233 0.000 2.079 171 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 171 L C 2.519 179.542 176.870 0.254 0.000 1.081 171 L CA 1.781 56.817 54.840 0.327 0.000 0.752 171 L CB -0.787 41.397 42.059 0.209 0.000 0.896 171 L HN 0.483 nan 8.230 nan 0.000 0.433 172 E N 0.050 120.350 120.200 0.167 0.000 2.130 172 E HA -0.256 4.094 4.350 -0.000 0.000 0.196 172 E C 1.649 178.307 176.600 0.098 0.000 0.998 172 E CA 1.459 57.939 56.400 0.134 0.000 0.806 172 E CB -0.154 29.621 29.700 0.126 0.000 0.738 172 E HN 0.475 nan 8.360 nan 0.000 0.459 173 D N -0.319 120.090 120.400 0.015 0.000 2.219 173 D HA -0.090 4.550 4.640 -0.000 0.000 0.205 173 D C 1.418 177.573 176.300 -0.242 0.000 0.970 173 D CA 0.723 54.641 54.000 -0.137 0.000 0.851 173 D CB -0.129 40.493 40.800 -0.296 0.000 0.943 173 D HN 0.141 nan 8.370 nan 0.000 0.488 174 F N 0.408 120.371 119.950 0.022 0.000 2.206 174 F HA 0.055 4.582 4.527 -0.000 0.000 0.298 174 F C 2.426 178.351 175.800 0.207 0.000 1.090 174 F CA 0.718 58.767 58.000 0.083 0.000 1.323 174 F CB 0.123 39.196 39.000 0.123 0.000 1.028 174 F HN -0.167 nan 8.300 nan 0.000 0.492 175 R N -0.128 120.552 120.500 0.299 0.000 2.161 175 R HA 0.045 4.384 4.340 -0.000 0.000 0.213 175 R C 0.975 177.385 176.300 0.183 0.000 1.055 175 R CA -0.050 56.184 56.100 0.222 0.000 0.996 175 R CB -0.171 30.227 30.300 0.163 0.000 0.901 175 R HN 0.104 nan 8.270 nan 0.000 0.456 176 R N 1.708 122.309 120.500 0.168 0.000 2.585 176 R HA 0.048 4.388 4.340 -0.000 0.000 0.275 176 R C -0.243 176.196 176.300 0.231 0.000 1.018 176 R CA 0.165 56.366 56.100 0.168 0.000 1.072 176 R CB 0.368 30.763 30.300 0.158 0.000 0.953 176 R HN 0.011 nan 8.270 nan 0.000 0.419 177 L N 3.192 124.507 121.223 0.154 0.000 2.416 177 L HA 0.298 4.637 4.340 -0.000 0.000 0.262 177 L C 0.569 177.379 176.870 -0.099 0.000 1.093 177 L CA -0.705 54.190 54.840 0.091 0.000 0.801 177 L CB 0.914 42.985 42.059 0.021 0.000 1.191 177 L HN 0.596 nan 8.230 nan 0.000 0.459 178 K N 0.737 120.840 120.400 -0.495 0.000 2.466 178 K HA 0.025 4.344 4.320 -0.000 0.000 0.278 178 K C 0.812 177.113 176.600 -0.498 0.000 1.048 178 K CA 1.092 56.708 56.287 -1.119 0.000 1.088 178 K CB -0.025 31.955 32.500 -0.867 0.000 0.884 178 K HN 0.855 nan 8.250 nan 0.000 0.478 179 G N 3.570 112.119 108.800 -0.418 0.000 2.176 179 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.253 179 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.253 179 G C 0.420 175.279 174.900 -0.069 0.000 0.979 179 G CA 0.390 45.392 45.100 -0.163 0.000 0.641 179 G HN 0.781 nan 8.290 nan 0.000 0.530 180 E N 0.054 120.227 120.200 -0.045 0.000 2.474 180 E HA 0.444 4.793 4.350 -0.000 0.000 0.195 180 E C 1.320 177.952 176.600 0.054 0.000 1.039 180 E CA 0.492 56.900 56.400 0.014 0.000 0.881 180 E CB 0.585 30.302 29.700 0.028 0.000 0.970 180 E HN 1.242 nan 8.360 nan 0.000 0.486 181 G N 1.104 109.952 108.800 0.081 0.000 2.302 181 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.276 181 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.276 181 G C -1.508 173.469 174.900 0.129 0.000 1.316 181 G CA -0.999 44.154 45.100 0.089 0.000 0.988 181 G HN 0.062 nan 8.290 nan 0.000 0.479 182 E N -0.290 119.968 120.200 0.096 0.000 2.244 182 E HA 0.609 4.959 4.350 -0.000 0.000 0.266 182 E C 0.167 176.800 176.600 0.056 0.000 0.914 182 E CA -0.501 55.950 56.400 0.085 0.000 0.794 182 E CB 2.224 31.962 29.700 0.063 0.000 1.210 182 E HN 0.986 nan 8.360 nan 0.000 0.414 183 A N 1.842 124.675 122.820 0.021 0.000 2.484 183 A HA 0.069 4.389 4.320 -0.000 0.000 0.268 183 A C 1.053 178.650 177.584 0.021 0.000 1.114 183 A CA -0.006 52.027 52.037 -0.006 0.000 0.780 183 A CB -0.079 18.873 19.000 -0.079 0.000 1.061 183 A HN 0.695 nan 8.150 nan 0.000 0.505 184 T N 2.577 117.173 114.554 0.070 0.000 2.684 184 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 184 T C 1.342 176.024 174.700 -0.030 0.000 1.036 184 T CA 1.440 63.563 62.100 0.040 0.000 1.148 184 T CB -0.150 68.798 68.868 0.133 0.000 0.863 184 T HN 0.818 nan 8.240 nan 0.000 0.436 185 W N 0.822 121.992 121.300 -0.217 0.000 2.699 185 W HA 0.103 4.763 4.660 -0.000 0.000 0.249 185 W C 1.901 178.235 176.519 -0.308 0.000 1.280 185 W CA -0.068 57.089 57.345 -0.313 0.000 1.345 185 W CB -0.185 29.040 29.460 -0.392 0.000 1.128 185 W HN 0.261 nan 8.180 nan 0.000 0.642 186 L N 0.060 121.273 121.223 -0.017 0.000 2.130 186 L HA -0.064 4.276 4.340 -0.000 0.000 0.200 186 L C 2.198 179.068 176.870 0.000 0.000 1.075 186 L CA 1.627 56.494 54.840 0.044 0.000 0.768 186 L CB -0.954 41.129 42.059 0.040 0.000 0.933 186 L HN -0.296 nan 8.230 nan 0.000 0.451 187 M N -0.334 119.248 119.600 -0.031 0.000 2.319 187 M HA -0.019 4.460 4.480 -0.000 0.000 0.265 187 M C 1.986 178.225 176.300 -0.102 0.000 1.068 187 M CA 1.693 56.968 55.300 -0.042 0.000 1.118 187 M CB -1.851 30.735 32.600 -0.024 0.000 1.395 187 M HN 0.572 nan 8.290 nan 0.000 0.435 188 T N -3.457 110.991 114.554 -0.177 0.000 3.107 188 T HA 0.061 4.411 4.350 -0.000 0.000 0.249 188 T C 1.344 175.894 174.700 -0.249 0.000 1.096 188 T CA 0.941 62.903 62.100 -0.231 0.000 1.012 188 T CB -0.570 68.094 68.868 -0.339 0.000 0.977 188 T HN 0.426 nan 8.240 nan 0.000 0.527 189 T N 0.130 114.546 114.554 -0.230 0.000 3.044 189 T HA 0.455 4.805 4.350 -0.000 0.000 0.260 189 T C 0.498 175.152 174.700 -0.076 0.000 1.019 189 T CA -0.697 61.284 62.100 -0.199 0.000 0.921 189 T CB -0.632 68.004 68.868 -0.387 0.000 1.053 189 T HN 0.705 nan 8.240 nan 0.000 0.533 190 I N -0.677 119.845 120.570 -0.079 0.000 2.957 190 I HA 0.672 4.842 4.170 -0.000 0.000 0.310 190 I C -0.478 175.579 176.117 -0.099 0.000 1.063 190 I CA -1.566 59.681 61.300 -0.088 0.000 1.033 190 I CB 1.619 39.560 38.000 -0.098 0.000 1.230 190 I HN -0.025 nan 8.210 nan 0.000 0.447 191 N N 2.037 120.670 118.700 -0.112 0.000 2.317 191 N HA 0.054 4.794 4.740 -0.000 0.000 0.245 191 N C 0.369 175.806 175.510 -0.121 0.000 1.294 191 N CA -0.087 52.900 53.050 -0.105 0.000 0.924 191 N CB 0.380 38.808 38.487 -0.098 0.000 1.186 191 N HN 0.685 nan 8.380 nan 0.000 0.495 192 E N -0.185 119.957 120.200 -0.098 0.000 2.152 192 E HA -0.054 4.295 4.350 -0.000 0.000 0.192 192 E C 1.737 178.266 176.600 -0.118 0.000 0.983 192 E CA 1.167 57.510 56.400 -0.095 0.000 0.818 192 E CB -0.763 28.897 29.700 -0.067 0.000 0.758 192 E HN 0.853 nan 8.360 nan 0.000 0.467 193 G N 1.678 110.406 108.800 -0.121 0.000 2.440 193 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 193 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 193 G C 1.713 176.463 174.900 -0.250 0.000 1.154 193 G CA 0.363 45.382 45.100 -0.134 0.000 0.767 193 G HN 0.090 nan 8.290 nan 0.000 0.552 194 R N 0.561 120.857 120.500 -0.341 0.000 2.073 194 R HA 0.092 4.432 4.340 -0.000 0.000 0.229 194 R C 2.569 178.422 176.300 -0.745 0.000 1.120 194 R CA 0.902 56.582 56.100 -0.699 0.000 0.967 194 R CB -0.690 29.240 30.300 -0.617 0.000 0.862 194 R HN 0.374 nan 8.270 nan 0.000 0.436 195 K N 0.980 121.175 120.400 -0.341 0.000 2.034 195 K HA -0.197 4.123 4.320 -0.000 0.000 0.214 195 K C 2.038 178.557 176.600 -0.135 0.000 1.051 195 K CA 1.895 58.084 56.287 -0.163 0.000 0.931 195 K CB -0.124 32.321 32.500 -0.091 0.000 0.715 195 K HN 0.317 nan 8.250 nan 0.000 0.446 196 E N 0.752 120.866 120.200 -0.143 0.000 2.051 196 E HA -0.234 4.116 4.350 -0.000 0.000 0.192 196 E C 2.079 178.622 176.600 -0.096 0.000 0.991 196 E CA 1.126 57.475 56.400 -0.085 0.000 0.799 196 E CB -0.069 29.588 29.700 -0.071 0.000 0.748 196 E HN 0.112 nan 8.360 nan 0.000 0.449 197 K N 1.124 121.384 120.400 -0.232 0.000 2.009 197 K HA -0.151 4.169 4.320 -0.000 0.000 0.210 197 K C 1.783 178.316 176.600 -0.113 0.000 1.049 197 K CA 1.593 57.694 56.287 -0.309 0.000 0.929 197 K CB -0.493 31.718 32.500 -0.481 0.000 0.714 197 K HN 0.131 nan 8.250 nan 0.000 0.440 198 F N 0.030 119.947 119.950 -0.055 0.000 2.234 198 F HA -0.070 4.457 4.527 -0.000 0.000 0.299 198 F C 2.291 178.125 175.800 0.056 0.000 1.087 198 F CA 0.450 58.452 58.000 0.003 0.000 1.340 198 F CB -0.103 38.883 39.000 -0.024 0.000 1.031 198 F HN -0.019 nan 8.300 nan 0.000 0.500 199 R N 0.500 121.116 120.500 0.194 0.000 2.070 199 R HA -0.133 4.207 4.340 -0.000 0.000 0.233 199 R C 2.397 178.803 176.300 0.177 0.000 1.137 199 R CA 2.176 58.369 56.100 0.155 0.000 0.945 199 R CB -1.028 29.326 30.300 0.090 0.000 0.845 199 R HN 0.308 nan 8.270 nan 0.000 0.430 200 T N -1.850 112.818 114.554 0.190 0.000 2.915 200 T HA -0.134 4.215 4.350 -0.000 0.000 0.269 200 T C 1.398 176.275 174.700 0.294 0.000 1.071 200 T CA 1.198 63.430 62.100 0.220 0.000 1.132 200 T CB -0.339 68.673 68.868 0.240 0.000 0.878 200 T HN 0.439 nan 8.240 nan 0.000 0.479 201 H N 0.772 119.919 119.070 0.128 0.000 2.526 201 H HA 0.256 4.811 4.556 -0.000 0.000 0.274 201 H C 0.730 176.194 175.328 0.227 0.000 0.999 201 H CA -0.201 55.955 56.048 0.180 0.000 1.157 201 H CB 0.044 29.854 29.762 0.079 0.000 1.407 201 H HN 0.265 nan 8.280 nan 0.000 0.568 202 N N 1.296 120.171 118.700 0.291 0.000 2.727 202 N HA -0.174 4.566 4.740 -0.000 0.000 0.249 202 N C 0.530 176.177 175.510 0.229 0.000 1.048 202 N CA 0.762 53.956 53.050 0.240 0.000 0.714 202 N CB -1.286 37.335 38.487 0.222 0.000 0.959 202 N HN 0.377 nan 8.380 nan 0.000 0.544 203 V N -3.310 116.712 119.914 0.179 0.000 3.380 203 V HA 0.416 4.536 4.120 -0.000 0.000 0.307 203 V C 0.693 176.748 176.094 -0.064 0.000 1.434 203 V CA -0.233 62.087 62.300 0.034 0.000 1.075 203 V CB 0.668 32.429 31.823 -0.102 0.000 0.954 203 V HN 0.044 nan 8.190 nan 0.000 0.444 204 V N 4.658 124.602 119.914 0.051 0.000 2.485 204 V HA 0.248 4.367 4.120 -0.000 0.000 0.287 204 V C -1.807 174.259 176.094 -0.046 0.000 1.022 204 V CA -0.979 61.333 62.300 0.020 0.000 1.067 204 V CB 0.500 32.389 31.823 0.109 0.000 0.967 204 V HN 0.433 nan 8.190 nan 0.000 0.479 205 P HA 0.099 nan 4.420 nan 0.000 0.268 205 P C 0.276 177.439 177.300 -0.229 0.000 1.204 205 P CA -0.009 62.859 63.100 -0.386 0.000 0.768 205 P CB 0.485 31.966 31.700 -0.365 0.000 0.842 206 F N 1.845 121.793 119.950 -0.003 0.000 2.059 206 F HA 0.320 4.847 4.527 -0.000 0.000 0.289 206 F C 1.336 177.132 175.800 -0.007 0.000 1.128 206 F CA 0.558 58.562 58.000 0.006 0.000 1.181 206 F CB -1.338 37.675 39.000 0.022 0.000 1.012 206 F HN 0.311 nan 8.300 nan 0.000 0.473 207 G N -0.658 108.204 108.800 0.103 0.000 2.533 207 G HA2 0.551 4.510 3.960 -0.000 0.000 0.304 207 G HA3 0.551 4.510 3.960 -0.000 0.000 0.304 207 G C 0.153 174.971 174.900 -0.136 0.000 1.263 207 G CA -0.699 44.415 45.100 0.022 0.000 0.964 207 G HN 0.234 nan 8.290 nan 0.000 0.479 208 I N -0.285 120.180 120.570 -0.175 0.000 2.133 208 I HA -0.135 4.034 4.170 -0.000 0.000 0.238 208 I C 2.421 178.465 176.117 -0.121 0.000 1.074 208 I CA 1.210 62.368 61.300 -0.236 0.000 1.342 208 I CB -0.331 37.425 38.000 -0.406 0.000 1.053 208 I HN 0.582 nan 8.210 nan 0.000 0.404 209 H N 0.660 119.788 119.070 0.098 0.000 2.321 209 H HA -0.096 4.460 4.556 -0.000 0.000 0.300 209 H C 2.316 177.701 175.328 0.094 0.000 1.087 209 H CA 1.563 57.676 56.048 0.108 0.000 1.319 209 H CB -0.258 29.581 29.762 0.128 0.000 1.379 209 H HN 0.354 nan 8.280 nan 0.000 0.501 210 A N 0.233 123.207 122.820 0.257 0.000 1.933 210 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 210 A C 2.403 180.154 177.584 0.278 0.000 1.175 210 A CA 1.857 54.078 52.037 0.307 0.000 0.628 210 A CB -0.596 18.672 19.000 0.445 0.000 0.814 210 A HN 0.386 nan 8.150 nan 0.000 0.444 211 S N -0.174 115.493 115.700 -0.054 0.000 2.383 211 S HA -0.078 4.392 4.470 -0.000 0.000 0.227 211 S C 1.788 176.372 174.600 -0.027 0.000 1.026 211 S CA 1.319 59.373 58.200 -0.244 0.000 0.981 211 S CB -0.449 62.433 63.200 -0.530 0.000 0.818 211 S HN 0.556 nan 8.310 nan 0.000 0.472 212 I N 1.304 121.880 120.570 0.010 0.000 2.113 212 I HA -0.195 3.975 4.170 -0.000 0.000 0.238 212 I C 2.776 178.950 176.117 0.096 0.000 1.070 212 I CA 1.425 62.756 61.300 0.051 0.000 1.332 212 I CB -0.440 37.596 38.000 0.060 0.000 1.044 212 I HN 0.335 nan 8.210 nan 0.000 0.402 213 S N 0.374 116.149 115.700 0.125 0.000 2.382 213 S HA -0.264 4.205 4.470 -0.000 0.000 0.228 213 S C 1.979 176.664 174.600 0.142 0.000 1.027 213 S CA 1.910 60.190 58.200 0.133 0.000 0.991 213 S CB -0.259 63.027 63.200 0.143 0.000 0.823 213 S HN 0.446 nan 8.310 nan 0.000 0.469 214 E N 0.634 120.939 120.200 0.174 0.000 2.110 214 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 214 E C 1.875 178.564 176.600 0.148 0.000 0.988 214 E CA 1.332 57.842 56.400 0.182 0.000 0.804 214 E CB -0.573 29.298 29.700 0.285 0.000 0.745 214 E HN 0.521 nan 8.360 nan 0.000 0.458 215 L N -0.446 120.854 121.223 0.129 0.000 2.109 215 L HA -0.033 4.307 4.340 -0.000 0.000 0.207 215 L C 2.136 179.088 176.870 0.137 0.000 1.086 215 L CA 1.121 56.032 54.840 0.120 0.000 0.760 215 L CB -0.348 41.771 42.059 0.100 0.000 0.910 215 L HN 0.103 nan 8.230 nan 0.000 0.437 216 V N 0.716 120.716 119.914 0.143 0.000 2.287 216 V HA -0.367 3.753 4.120 -0.000 0.000 0.248 216 V C 2.524 178.730 176.094 0.187 0.000 1.053 216 V CA 2.177 64.579 62.300 0.171 0.000 1.027 216 V CB -1.130 30.778 31.823 0.141 0.000 0.646 216 V HN 0.722 nan 8.190 nan 0.000 0.447 217 N N 0.197 118.990 118.700 0.154 0.000 2.069 217 N HA -0.287 4.452 4.740 -0.000 0.000 0.191 217 N C 1.933 177.536 175.510 0.155 0.000 1.031 217 N CA 2.073 55.208 53.050 0.143 0.000 0.852 217 N CB -0.155 38.393 38.487 0.102 0.000 1.018 217 N HN 0.605 nan 8.380 nan 0.000 0.423 218 Q N -0.348 119.531 119.800 0.133 0.000 2.291 218 Q HA -0.030 4.309 4.340 -0.000 0.000 0.206 218 Q C 1.775 177.837 176.000 0.103 0.000 0.976 218 Q CA 1.271 57.142 55.803 0.113 0.000 0.875 218 Q CB -0.035 28.763 28.738 0.100 0.000 0.927 218 Q HN 0.536 nan 8.270 nan 0.000 0.450 219 A N -0.249 122.643 122.820 0.120 0.000 2.178 219 A HA -0.037 4.283 4.320 -0.000 0.000 0.211 219 A C 0.466 178.118 177.584 0.113 0.000 1.157 219 A CA -0.123 51.939 52.037 0.042 0.000 0.780 219 A CB -0.327 18.727 19.000 0.090 0.000 0.828 219 A HN 0.386 nan 8.150 nan 0.000 0.476 220 H N 0.284 119.433 119.070 0.131 0.000 2.948 220 H HA 0.178 4.734 4.556 -0.000 0.000 0.351 220 H C 0.829 176.212 175.328 0.090 0.000 1.079 220 H CA -0.126 56.009 56.048 0.144 0.000 1.407 220 H CB 0.317 30.142 29.762 0.104 0.000 1.373 220 H HN 0.287 nan 8.280 nan 0.000 0.605 221 M N 4.274 123.637 119.600 -0.395 0.000 2.255 221 M HA -0.039 4.441 4.480 -0.000 0.000 0.356 221 M C 0.992 177.366 176.300 0.123 0.000 1.338 221 M CA 1.802 57.019 55.300 -0.139 0.000 0.962 221 M CB -1.026 31.444 32.600 -0.218 0.000 1.877 221 M HN 1.093 nan 8.290 nan 0.000 0.463 222 G N 4.493 113.338 108.800 0.074 0.000 2.179 222 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.257 222 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.257 222 G C 0.402 175.367 174.900 0.109 0.000 1.010 222 G CA 0.675 45.830 45.100 0.091 0.000 0.736 222 G HN 0.637 nan 8.290 nan 0.000 0.513 223 M N -0.410 119.259 119.600 0.115 0.000 2.109 223 M HA 0.338 4.818 4.480 -0.000 0.000 0.187 223 M C 0.775 177.118 176.300 0.073 0.000 1.503 223 M CA 0.010 55.370 55.300 0.100 0.000 1.645 223 M CB -0.907 31.768 32.600 0.124 0.000 0.970 223 M HN 0.089 nan 8.290 nan 0.000 0.772 224 D N 1.077 121.519 120.400 0.071 0.000 2.345 224 D HA 0.114 4.753 4.640 -0.000 0.000 0.247 224 D C -0.341 176.008 176.300 0.082 0.000 1.108 224 D CA 0.411 54.454 54.000 0.072 0.000 0.894 224 D CB 0.545 41.388 40.800 0.072 0.000 1.203 224 D HN 0.347 nan 8.370 nan 0.000 0.430 225 N N 1.617 120.387 118.700 0.116 0.000 2.241 225 N HA 0.015 4.755 4.740 -0.000 0.000 0.238 225 N C -1.334 174.377 175.510 0.335 0.000 1.244 225 N CA -0.314 52.855 53.050 0.199 0.000 0.880 225 N CB 0.480 39.057 38.487 0.151 0.000 1.179 225 N HN 0.252 nan 8.380 nan 0.000 0.513 226 D N 0.539 121.041 120.400 0.170 0.000 2.329 226 D HA 0.206 4.845 4.640 -0.000 0.000 0.232 226 D C -1.726 174.553 176.300 -0.035 0.000 1.088 226 D CA -1.949 52.077 54.000 0.043 0.000 0.835 226 D CB 2.110 42.903 40.800 -0.012 0.000 1.078 226 D HN 0.130 nan 8.370 nan 0.000 0.495 227 P HA -0.098 nan 4.420 nan 0.000 0.219 227 P C 1.491 178.706 177.300 -0.142 0.000 1.150 227 P CA 0.424 63.400 63.100 -0.206 0.000 0.814 227 P CB 0.635 31.994 31.700 -0.568 0.000 0.787 228 V N 0.444 120.220 119.914 -0.230 0.000 2.488 228 V HA -0.148 3.972 4.120 -0.000 0.000 0.246 228 V C 2.575 178.463 176.094 -0.345 0.000 1.046 228 V CA 2.000 64.103 62.300 -0.329 0.000 1.053 228 V CB -1.791 29.747 31.823 -0.476 0.000 0.679 228 V HN 0.106 nan 8.190 nan 0.000 0.458 229 N N 0.462 119.036 118.700 -0.209 0.000 2.120 229 N HA -0.131 4.608 4.740 -0.000 0.000 0.188 229 N C 1.682 177.216 175.510 0.041 0.000 1.024 229 N CA 1.531 54.535 53.050 -0.077 0.000 0.852 229 N CB -0.280 38.189 38.487 -0.030 0.000 1.003 229 N HN 0.411 nan 8.380 nan 0.000 0.424 230 L N -0.758 120.492 121.223 0.045 0.000 2.093 230 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 230 L C 2.132 179.079 176.870 0.128 0.000 1.085 230 L CA 0.538 55.431 54.840 0.088 0.000 0.755 230 L CB -0.241 41.868 42.059 0.084 0.000 0.904 230 L HN 0.063 nan 8.230 nan 0.000 0.435 231 V N -0.863 119.139 119.914 0.147 0.000 2.358 231 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 231 V C 2.287 178.592 176.094 0.351 0.000 1.047 231 V CA 1.574 64.010 62.300 0.226 0.000 1.035 231 V CB -0.497 31.473 31.823 0.245 0.000 0.658 231 V HN 0.230 nan 8.190 nan 0.000 0.452 232 F N 0.282 120.292 119.950 0.100 0.000 2.216 232 F HA -0.129 4.398 4.527 -0.000 0.000 0.300 232 F C 2.776 178.613 175.800 0.061 0.000 1.085 232 F CA 1.476 59.544 58.000 0.113 0.000 1.326 232 F CB -1.209 37.887 39.000 0.160 0.000 1.027 232 F HN 0.141 nan 8.300 nan 0.000 0.497 233 S N -0.166 115.681 115.700 0.245 0.000 2.355 233 S HA -0.114 4.355 4.470 -0.000 0.000 0.222 233 S C 2.408 177.061 174.600 0.088 0.000 1.031 233 S CA 1.079 59.367 58.200 0.146 0.000 0.993 233 S CB -0.556 62.727 63.200 0.138 0.000 0.859 233 S HN 0.275 nan 8.310 nan 0.000 0.453 234 A N 1.371 124.250 122.820 0.099 0.000 1.927 234 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 234 A C 2.093 179.690 177.584 0.022 0.000 1.185 234 A CA 1.826 53.905 52.037 0.071 0.000 0.639 234 A CB -0.880 18.175 19.000 0.092 0.000 0.820 234 A HN 0.639 nan 8.150 nan 0.000 0.451 235 I N -1.386 119.179 120.570 -0.009 0.000 2.252 235 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 235 I C 2.694 178.688 176.117 -0.204 0.000 1.102 235 I CA 1.632 62.840 61.300 -0.154 0.000 1.385 235 I CB -0.261 37.545 38.000 -0.324 0.000 1.064 235 I HN 0.368 nan 8.210 nan 0.000 0.414 236 R N 0.606 121.019 120.500 -0.145 0.000 2.096 236 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 236 R C 2.246 178.441 176.300 -0.175 0.000 1.127 236 R CA 1.399 57.388 56.100 -0.185 0.000 0.968 236 R CB -0.121 30.105 30.300 -0.123 0.000 0.861 236 R HN 0.152 nan 8.270 nan 0.000 0.440 237 V N 0.920 120.775 119.914 -0.097 0.000 2.343 237 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 237 V C 2.458 178.536 176.094 -0.026 0.000 1.051 237 V CA 1.915 64.177 62.300 -0.063 0.000 1.036 237 V CB -0.690 31.130 31.823 -0.004 0.000 0.654 237 V HN 0.551 nan 8.190 nan 0.000 0.451 238 A N -0.173 122.649 122.820 0.003 0.000 1.877 238 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 238 A C 2.185 179.812 177.584 0.071 0.000 1.186 238 A CA 1.790 53.897 52.037 0.116 0.000 0.620 238 A CB -0.590 18.477 19.000 0.112 0.000 0.822 238 A HN 0.505 nan 8.150 nan 0.000 0.443 239 L N -0.771 120.372 121.223 -0.134 0.000 2.191 239 L HA -0.187 4.152 4.340 -0.000 0.000 0.212 239 L C 2.994 179.758 176.870 -0.176 0.000 1.103 239 L CA 0.819 55.516 54.840 -0.239 0.000 0.769 239 L CB -0.484 41.325 42.059 -0.418 0.000 0.908 239 L HN 0.458 nan 8.230 nan 0.000 0.438 240 A N -0.269 122.448 122.820 -0.171 0.000 1.930 240 A HA -0.251 4.068 4.320 -0.000 0.000 0.217 240 A C 2.140 179.632 177.584 -0.153 0.000 1.175 240 A CA 1.755 53.677 52.037 -0.190 0.000 0.627 240 A CB -0.519 18.358 19.000 -0.205 0.000 0.815 240 A HN 0.457 nan 8.150 nan 0.000 0.443 241 D N -1.158 119.218 120.400 -0.040 0.000 2.092 241 D HA -0.248 4.391 4.640 -0.000 0.000 0.193 241 D C 1.784 178.020 176.300 -0.106 0.000 0.994 241 D CA 1.903 55.942 54.000 0.065 0.000 0.828 241 D CB -0.398 40.574 40.800 0.287 0.000 0.963 241 D HN 0.495 nan 8.370 nan 0.000 0.450 242 Y N 1.621 121.633 120.300 -0.480 0.000 2.114 242 Y HA -0.250 4.300 4.550 -0.000 0.000 0.282 242 Y C 2.442 178.017 175.900 -0.542 0.000 1.165 242 Y CA 2.682 60.212 58.100 -0.950 0.000 1.148 242 Y CB -0.835 36.723 38.460 -1.503 0.000 0.972 242 Y HN -0.042 nan 8.280 nan 0.000 0.504 243 T N -0.014 114.184 114.554 -0.593 0.000 2.635 243 T HA -0.208 4.142 4.350 -0.000 0.000 0.267 243 T C 2.028 176.422 174.700 -0.510 0.000 1.040 243 T CA 1.846 63.629 62.100 -0.529 0.000 1.156 243 T CB -1.195 67.474 68.868 -0.333 0.000 0.863 243 T HN 0.609 nan 8.240 nan 0.000 0.430 244 G N 1.021 109.577 108.800 -0.406 0.000 2.422 244 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.218 244 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.218 244 G C 1.463 176.194 174.900 -0.281 0.000 1.146 244 G CA 0.646 45.589 45.100 -0.262 0.000 0.769 244 G HN 0.536 nan 8.290 nan 0.000 0.547 245 E N -0.422 119.548 120.200 -0.383 0.000 2.077 245 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 245 E C 2.245 178.603 176.600 -0.404 0.000 0.989 245 E CA 0.870 57.003 56.400 -0.446 0.000 0.800 245 E CB -0.244 29.151 29.700 -0.508 0.000 0.746 245 E HN 0.415 nan 8.360 nan 0.000 0.452 246 H N 0.634 119.357 119.070 -0.577 0.000 2.428 246 H HA 0.014 4.570 4.556 -0.000 0.000 0.296 246 H C 2.070 177.207 175.328 -0.319 0.000 1.062 246 H CA 0.829 56.621 56.048 -0.425 0.000 1.350 246 H CB 0.084 29.516 29.762 -0.550 0.000 1.403 246 H HN 0.140 nan 8.280 nan 0.000 0.533 247 I N 0.399 120.727 120.570 -0.402 0.000 2.127 247 I HA -0.300 3.870 4.170 -0.000 0.000 0.241 247 I C 2.884 178.642 176.117 -0.598 0.000 1.075 247 I CA 1.219 61.997 61.300 -0.870 0.000 1.334 247 I CB -0.422 36.981 38.000 -0.995 0.000 1.040 247 I HN 0.196 nan 8.210 nan 0.000 0.405 248 A N 0.358 122.991 122.820 -0.312 0.000 1.873 248 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 248 A C 2.390 179.952 177.584 -0.036 0.000 1.193 248 A CA 2.779 54.747 52.037 -0.114 0.000 0.629 248 A CB -1.303 17.570 19.000 -0.212 0.000 0.826 248 A HN 0.431 nan 8.150 nan 0.000 0.447 249 T N 0.145 114.635 114.554 -0.107 0.000 2.684 249 T HA -0.149 4.200 4.350 -0.000 0.000 0.267 249 T C 1.584 176.313 174.700 0.048 0.000 1.036 249 T CA 1.577 63.654 62.100 -0.039 0.000 1.148 249 T CB -0.515 68.260 68.868 -0.154 0.000 0.863 249 T HN 0.470 nan 8.240 nan 0.000 0.436 250 D N 0.609 121.038 120.400 0.048 0.000 2.104 250 D HA -0.065 4.575 4.640 -0.000 0.000 0.194 250 D C 1.780 178.291 176.300 0.353 0.000 0.994 250 D CA 1.013 55.139 54.000 0.210 0.000 0.830 250 D CB -0.315 40.676 40.800 0.319 0.000 0.959 250 D HN 0.303 nan 8.370 nan 0.000 0.452 251 F N 0.907 120.901 119.950 0.074 0.000 2.367 251 F HA 0.055 4.582 4.527 -0.000 0.000 0.298 251 F C 2.584 178.376 175.800 -0.014 0.000 1.094 251 F CA 0.157 58.167 58.000 0.017 0.000 1.409 251 F CB -0.897 38.092 39.000 -0.017 0.000 1.064 251 F HN -0.138 nan 8.300 nan 0.000 0.528 252 S N 0.058 115.913 115.700 0.258 0.000 2.383 252 S HA -0.155 4.315 4.470 -0.000 0.000 0.227 252 S C 1.573 176.319 174.600 0.244 0.000 1.026 252 S CA 1.314 59.686 58.200 0.286 0.000 0.981 252 S CB -0.257 63.159 63.200 0.360 0.000 0.818 252 S HN 0.277 nan 8.310 nan 0.000 0.472 253 D N 1.781 122.297 120.400 0.192 0.000 2.092 253 D HA -0.046 4.594 4.640 -0.000 0.000 0.193 253 D C 1.848 178.208 176.300 0.101 0.000 0.994 253 D CA 0.893 54.984 54.000 0.152 0.000 0.828 253 D CB -0.449 40.434 40.800 0.137 0.000 0.963 253 D HN 0.327 nan 8.370 nan 0.000 0.450 254 I N 0.297 120.920 120.570 0.088 0.000 2.208 254 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 254 I C 2.288 178.352 176.117 -0.089 0.000 1.097 254 I CA 0.906 62.218 61.300 0.019 0.000 1.363 254 I CB -0.149 37.866 38.000 0.025 0.000 1.051 254 I HN -0.003 nan 8.210 nan 0.000 0.413 255 L N -1.117 119.961 121.223 -0.241 0.000 2.270 255 L HA -0.048 4.291 4.340 -0.000 0.000 0.210 255 L C 1.552 178.116 176.870 -0.509 0.000 1.104 255 L CA 1.136 55.654 54.840 -0.538 0.000 0.804 255 L CB -0.071 41.347 42.059 -1.068 0.000 0.937 255 L HN 0.176 nan 8.230 nan 0.000 0.450 256 F N -1.067 118.937 119.950 0.089 0.000 2.817 256 F HA 0.435 4.962 4.527 -0.000 0.000 0.333 256 F C 0.965 176.795 175.800 0.050 0.000 1.085 256 F CA -0.052 57.992 58.000 0.074 0.000 1.170 256 F CB 0.957 40.007 39.000 0.084 0.000 1.066 256 F HN -0.032 nan 8.300 nan 0.000 0.564 257 G N 1.177 110.087 108.800 0.183 0.000 2.784 257 G HA2 -0.122 3.837 3.960 -0.000 0.000 0.686 257 G HA3 -0.122 3.837 3.960 -0.000 0.000 0.686 257 G C -0.551 174.419 174.900 0.117 0.000 1.156 257 G CA -1.165 44.009 45.100 0.123 0.000 0.757 257 G HN -0.071 nan 8.290 nan 0.000 0.642 258 T N 4.681 119.287 114.554 0.087 0.000 2.799 258 T HA 0.448 4.798 4.350 -0.000 0.000 0.296 258 T C -1.695 173.038 174.700 0.055 0.000 0.947 258 T CA -0.066 62.082 62.100 0.080 0.000 1.141 258 T CB 0.918 69.832 68.868 0.077 0.000 0.891 258 T HN 0.500 nan 8.240 nan 0.000 0.533 259 P HA 0.074 nan 4.420 nan 0.000 0.265 259 P C -0.113 177.166 177.300 -0.035 0.000 1.187 259 P CA -0.007 63.091 63.100 -0.004 0.000 0.766 259 P CB 0.490 32.183 31.700 -0.011 0.000 0.820 260 Q N 2.400 122.144 119.800 -0.094 0.000 2.484 260 Q HA 0.457 4.797 4.340 -0.000 0.000 0.285 260 Q C -2.523 173.297 176.000 -0.301 0.000 1.097 260 Q CA -2.294 53.415 55.803 -0.157 0.000 0.802 260 Q CB 0.947 29.630 28.738 -0.090 0.000 1.444 260 Q HN 0.208 nan 8.270 nan 0.000 0.429 261 P HA 0.071 nan 4.420 nan 0.000 0.265 261 P C -0.963 176.132 177.300 -0.341 0.000 1.187 261 P CA 0.193 62.891 63.100 -0.670 0.000 0.766 261 P CB 0.515 31.774 31.700 -0.735 0.000 0.820 262 V N 3.941 123.680 119.914 -0.291 0.000 3.000 262 V HA 0.351 4.470 4.120 -0.000 0.000 0.300 262 V C -1.162 174.861 176.094 -0.118 0.000 1.251 262 V CA -0.710 61.490 62.300 -0.166 0.000 0.972 262 V CB 2.602 34.338 31.823 -0.144 0.000 1.065 262 V HN 0.126 nan 8.190 nan 0.000 0.431 263 V N 4.654 124.525 119.914 -0.072 0.000 2.581 263 V HA 0.939 5.059 4.120 -0.000 0.000 0.303 263 V C 0.175 176.249 176.094 -0.033 0.000 1.041 263 V CA 0.315 62.591 62.300 -0.040 0.000 0.907 263 V CB 1.644 33.452 31.823 -0.026 0.000 0.994 263 V HN 1.089 nan 8.190 nan 0.000 0.442 264 S N 2.728 118.417 115.700 -0.018 0.000 2.815 264 S HA 0.622 5.092 4.470 -0.000 0.000 0.296 264 S C -1.662 172.937 174.600 -0.003 0.000 1.224 264 S CA -0.625 57.566 58.200 -0.015 0.000 0.938 264 S CB 1.771 64.959 63.200 -0.020 0.000 1.285 264 S HN 0.789 nan 8.310 nan 0.000 0.549 265 E N -0.523 119.677 120.200 -0.000 0.000 2.433 265 E HA 0.764 5.114 4.350 -0.000 0.000 0.273 265 E C -1.373 175.232 176.600 0.009 0.000 0.950 265 E CA -1.168 55.234 56.400 0.004 0.000 0.796 265 E CB 2.134 31.833 29.700 -0.003 0.000 1.330 265 E HN 0.759 nan 8.360 nan 0.000 0.455 266 A N 1.859 124.685 122.820 0.010 0.000 2.574 266 A HA 0.731 5.051 4.320 -0.000 0.000 0.297 266 A C -0.842 176.744 177.584 0.004 0.000 1.062 266 A CA -0.461 51.583 52.037 0.011 0.000 0.686 266 A CB 1.634 20.647 19.000 0.022 0.000 1.285 266 A HN 0.586 nan 8.150 nan 0.000 0.403 267 N N -0.530 118.169 118.700 -0.001 0.000 5.732 267 N HA -0.125 4.615 4.740 -0.000 0.000 0.394 267 N C 0.341 175.841 175.510 -0.016 0.000 1.513 267 N CA 0.566 53.612 53.050 -0.007 0.000 2.314 267 N CB -0.558 37.928 38.487 -0.001 0.000 0.618 267 N HN 0.712 nan 8.380 nan 0.000 0.575 268 M N 0.619 120.205 119.600 -0.023 0.000 2.700 268 M HA 0.001 4.481 4.480 -0.000 0.000 0.249 268 M C 1.817 178.089 176.300 -0.047 0.000 1.082 268 M CA 1.607 56.886 55.300 -0.035 0.000 1.077 268 M CB -0.361 32.216 32.600 -0.037 0.000 1.477 268 M HN 0.577 nan 8.290 nan 0.000 0.529 269 G N 0.053 108.828 108.800 -0.041 0.000 2.712 269 G HA2 0.016 3.976 3.960 -0.000 0.000 0.212 269 G HA3 0.016 3.976 3.960 -0.000 0.000 0.212 269 G C 1.408 176.285 174.900 -0.039 0.000 1.142 269 G CA 0.528 45.599 45.100 -0.049 0.000 0.789 269 G HN 0.470 nan 8.290 nan 0.000 0.535 270 V N -0.787 119.110 119.914 -0.029 0.000 2.913 270 V HA 0.188 4.307 4.120 -0.000 0.000 0.260 270 V C 1.306 177.386 176.094 -0.023 0.000 1.098 270 V CA 0.254 62.541 62.300 -0.023 0.000 1.121 270 V CB -0.740 31.074 31.823 -0.015 0.000 0.714 270 V HN 0.181 nan 8.190 nan 0.000 0.487 271 L N 1.759 122.964 121.223 -0.030 0.000 2.461 271 L HA 0.406 4.746 4.340 -0.000 0.000 0.272 271 L C -0.048 176.805 176.870 -0.029 0.000 1.197 271 L CA 0.416 55.240 54.840 -0.028 0.000 0.836 271 L CB 0.313 42.347 42.059 -0.041 0.000 1.105 271 L HN 0.282 nan 8.230 nan 0.000 0.477 272 D N 3.082 123.475 120.400 -0.012 0.000 2.736 272 D HA 0.246 4.886 4.640 -0.000 0.000 0.243 272 D C -2.066 174.250 176.300 0.026 0.000 1.304 272 D CA -1.837 52.160 54.000 -0.005 0.000 0.934 272 D CB 2.217 43.012 40.800 -0.009 0.000 1.382 272 D HN 0.077 nan 8.370 nan 0.000 0.571 273 P HA 0.031 nan 4.420 nan 0.000 0.230 273 P C 0.060 177.450 177.300 0.150 0.000 1.158 273 P CA 0.660 63.793 63.100 0.056 0.000 0.769 273 P CB 0.552 32.259 31.700 0.012 0.000 0.807 274 D N -1.358 119.122 120.400 0.134 0.000 2.433 274 D HA 0.101 4.740 4.640 -0.000 0.000 0.211 274 D C 0.799 177.161 176.300 0.104 0.000 1.114 274 D CA 0.214 54.336 54.000 0.204 0.000 0.837 274 D CB 0.555 41.421 40.800 0.109 0.000 0.984 274 D HN 0.320 nan 8.370 nan 0.000 0.505 275 Q N 0.054 119.869 119.800 0.026 0.000 2.240 275 Q HA 0.480 4.819 4.340 -0.000 0.000 0.260 275 Q C -0.368 175.509 176.000 -0.205 0.000 1.018 275 Q CA -0.927 54.773 55.803 -0.173 0.000 0.898 275 Q CB 2.702 31.379 28.738 -0.102 0.000 1.301 275 Q HN -0.173 nan 8.270 nan 0.000 0.469 276 V N 2.789 122.501 119.914 -0.337 0.000 2.405 276 V HA 0.057 4.176 4.120 -0.000 0.000 0.264 276 V C -0.231 175.880 176.094 0.029 0.000 1.048 276 V CA -0.398 61.826 62.300 -0.126 0.000 0.966 276 V CB -0.007 31.730 31.823 -0.143 0.000 1.015 276 V HN 0.587 nan 8.190 nan 0.000 0.477 277 N N 5.278 124.033 118.700 0.092 0.000 2.415 277 N HA 0.261 5.001 4.740 -0.000 0.000 0.246 277 N C -0.855 174.728 175.510 0.121 0.000 1.078 277 N CA 0.035 53.137 53.050 0.086 0.000 0.942 277 N CB 1.148 39.666 38.487 0.052 0.000 1.140 277 N HN 0.655 nan 8.380 nan 0.000 0.501 278 F N 2.933 122.873 119.950 -0.016 0.000 2.403 278 F HA 0.300 4.827 4.527 -0.000 0.000 0.355 278 F C -0.341 175.451 175.800 -0.013 0.000 1.119 278 F CA -0.905 57.087 58.000 -0.012 0.000 1.007 278 F CB 0.904 39.891 39.000 -0.022 0.000 1.194 278 F HN 0.026 nan 8.300 nan 0.000 0.443 279 V N 7.485 127.364 119.914 -0.058 0.000 2.432 279 V HA 0.199 4.319 4.120 -0.000 0.000 0.275 279 V C 0.071 176.237 176.094 0.119 0.000 1.043 279 V CA -0.556 61.765 62.300 0.036 0.000 0.925 279 V CB 1.271 33.072 31.823 -0.036 0.000 0.985 279 V HN 0.589 nan 8.190 nan 0.000 0.466 280 L N 5.984 127.321 121.223 0.190 0.000 2.255 280 L HA 0.507 4.847 4.340 -0.000 0.000 0.289 280 L C -0.257 176.712 176.870 0.165 0.000 1.046 280 L CA -0.124 54.823 54.840 0.178 0.000 0.816 280 L CB 0.392 42.528 42.059 0.129 0.000 1.197 280 L HN 0.673 nan 8.230 nan 0.000 0.427 281 H N 2.390 121.475 119.070 0.024 0.000 2.821 281 H HA 0.830 5.385 4.556 -0.000 0.000 0.373 281 H C 0.088 175.429 175.328 0.022 0.000 1.165 281 H CA -0.029 56.027 56.048 0.014 0.000 1.154 281 H CB 2.061 31.833 29.762 0.017 0.000 1.765 281 H HN 0.615 nan 8.280 nan 0.000 0.549 282 G N 1.979 110.712 108.800 -0.113 0.000 2.501 282 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.213 282 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.213 282 G C -0.348 174.433 174.900 -0.199 0.000 1.158 282 G CA 0.480 45.522 45.100 -0.097 0.000 1.079 282 G HN 0.728 nan 8.290 nan 0.000 0.586 283 H N -0.145 118.956 119.070 0.051 0.000 3.412 283 H HA 0.268 4.824 4.556 -0.000 0.000 0.233 283 H C 0.765 176.113 175.328 0.034 0.000 0.953 283 H CA 0.376 56.486 56.048 0.103 0.000 1.049 283 H CB 0.445 30.301 29.762 0.156 0.000 1.406 283 H HN 0.434 nan 8.280 nan 0.000 0.557 284 N N 3.179 121.881 118.700 0.004 0.000 2.422 284 N HA 0.089 4.829 4.740 -0.000 0.000 0.266 284 N C -1.945 173.557 175.510 -0.014 0.000 1.007 284 N CA -1.913 51.058 53.050 -0.131 0.000 0.941 284 N CB 1.617 39.986 38.487 -0.195 0.000 1.115 284 N HN 0.018 nan 8.380 nan 0.000 0.492 285 P HA -0.083 nan 4.420 nan 0.000 0.237 285 P C 1.045 178.312 177.300 -0.054 0.000 1.178 285 P CA 0.637 63.703 63.100 -0.057 0.000 0.766 285 P CB 0.298 31.953 31.700 -0.074 0.000 0.876 286 L N -1.218 120.101 121.223 0.160 0.000 2.127 286 L HA -0.178 4.162 4.340 -0.000 0.000 0.211 286 L C 2.429 179.526 176.870 0.379 0.000 1.089 286 L CA 0.999 56.046 54.840 0.344 0.000 0.757 286 L CB -0.773 41.341 42.059 0.092 0.000 0.899 286 L HN 0.058 nan 8.230 nan 0.000 0.434 287 L N -0.578 120.717 121.223 0.120 0.000 2.062 287 L HA -0.096 4.244 4.340 -0.000 0.000 0.202 287 L C 2.800 179.609 176.870 -0.102 0.000 1.079 287 L CA 2.046 56.808 54.840 -0.131 0.000 0.755 287 L CB -0.684 41.179 42.059 -0.326 0.000 0.913 287 L HN 0.281 nan 8.230 nan 0.000 0.445 288 S N -1.275 114.361 115.700 -0.106 0.000 2.368 288 S HA -0.176 4.294 4.470 -0.000 0.000 0.225 288 S C 1.815 176.313 174.600 -0.170 0.000 1.030 288 S CA 1.114 59.244 58.200 -0.116 0.000 0.999 288 S CB -0.776 62.373 63.200 -0.085 0.000 0.844 288 S HN 0.520 nan 8.310 nan 0.000 0.459 289 E N 1.024 121.061 120.200 -0.271 0.000 2.110 289 E HA -0.064 4.285 4.350 -0.000 0.000 0.193 289 E C 2.102 178.587 176.600 -0.192 0.000 0.988 289 E CA 0.964 57.151 56.400 -0.354 0.000 0.804 289 E CB -0.252 28.919 29.700 -0.882 0.000 0.745 289 E HN 0.528 nan 8.360 nan 0.000 0.458 290 I N 1.056 121.564 120.570 -0.102 0.000 2.406 290 I HA -0.190 3.980 4.170 -0.000 0.000 0.249 290 I C 2.406 178.470 176.117 -0.087 0.000 1.122 290 I CA 0.599 61.861 61.300 -0.064 0.000 1.431 290 I CB -0.901 37.128 38.000 0.049 0.000 1.087 290 I HN 0.059 nan 8.210 nan 0.000 0.424 291 I N 0.775 121.276 120.570 -0.115 0.000 2.163 291 I HA -0.233 3.937 4.170 -0.000 0.000 0.243 291 I C 2.800 178.789 176.117 -0.214 0.000 1.085 291 I CA 1.228 62.409 61.300 -0.199 0.000 1.347 291 I CB -1.146 36.697 38.000 -0.262 0.000 1.044 291 I HN 0.035 nan 8.210 nan 0.000 0.408 292 V N 0.636 120.443 119.914 -0.178 0.000 2.282 292 V HA -0.349 3.771 4.120 -0.000 0.000 0.249 292 V C 2.658 178.673 176.094 -0.131 0.000 1.057 292 V CA 2.130 64.338 62.300 -0.154 0.000 1.032 292 V CB -0.774 30.969 31.823 -0.133 0.000 0.645 292 V HN 0.501 nan 8.190 nan 0.000 0.447 293 Q N -0.729 119.002 119.800 -0.115 0.000 2.020 293 Q HA -0.213 4.127 4.340 -0.000 0.000 0.202 293 Q C 2.370 178.314 176.000 -0.093 0.000 0.982 293 Q CA 1.919 57.667 55.803 -0.092 0.000 0.838 293 Q CB -0.327 28.360 28.738 -0.085 0.000 0.899 293 Q HN 0.653 nan 8.270 nan 0.000 0.423 294 A N 0.691 123.450 122.820 -0.102 0.000 1.948 294 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 294 A C 2.203 179.719 177.584 -0.112 0.000 1.177 294 A CA 1.931 53.911 52.037 -0.095 0.000 0.636 294 A CB -0.867 18.078 19.000 -0.092 0.000 0.815 294 A HN 0.539 nan 8.150 nan 0.000 0.449 295 A N -0.331 122.398 122.820 -0.151 0.000 1.930 295 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 295 A C 2.140 179.656 177.584 -0.113 0.000 1.175 295 A CA 1.273 53.213 52.037 -0.160 0.000 0.627 295 A CB -0.467 18.404 19.000 -0.215 0.000 0.815 295 A HN 0.564 nan 8.150 nan 0.000 0.443 296 R N 0.015 120.456 120.500 -0.098 0.000 2.133 296 R HA -0.204 4.135 4.340 -0.000 0.000 0.247 296 R C 1.525 177.787 176.300 -0.064 0.000 1.151 296 R CA 1.835 57.891 56.100 -0.074 0.000 0.971 296 R CB -0.340 29.921 30.300 -0.065 0.000 0.866 296 R HN 0.670 nan 8.270 nan 0.000 0.447 297 E N -0.591 119.570 120.200 -0.064 0.000 2.489 297 E HA 0.059 4.409 4.350 -0.000 0.000 0.193 297 E C 1.006 177.577 176.600 -0.049 0.000 1.057 297 E CA 0.229 56.598 56.400 -0.051 0.000 0.866 297 E CB 0.442 30.114 29.700 -0.046 0.000 0.916 297 E HN 0.245 nan 8.360 nan 0.000 0.500 298 M N 0.085 119.649 119.600 -0.060 0.000 2.412 298 M HA 0.140 4.620 4.480 -0.000 0.000 0.315 298 M C 0.926 177.191 176.300 -0.059 0.000 1.092 298 M CA 0.247 55.514 55.300 -0.055 0.000 0.974 298 M CB 0.689 33.251 32.600 -0.064 0.000 1.437 298 M HN 0.016 nan 8.290 nan 0.000 0.524 299 E N 0.843 121.006 120.200 -0.061 0.000 2.107 299 E HA -0.052 4.298 4.350 -0.000 0.000 0.191 299 E C 2.007 178.574 176.600 -0.056 0.000 0.982 299 E CA 1.321 57.682 56.400 -0.065 0.000 0.809 299 E CB 0.055 29.718 29.700 -0.061 0.000 0.756 299 E HN 0.583 nan 8.360 nan 0.000 0.459 300 G N 1.205 109.980 108.800 -0.042 0.000 2.469 300 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.220 300 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.220 300 G C 1.519 176.402 174.900 -0.029 0.000 1.136 300 G CA 0.997 46.078 45.100 -0.032 0.000 0.759 300 G HN 0.287 nan 8.290 nan 0.000 0.562 301 E N -0.085 120.097 120.200 -0.030 0.000 2.112 301 E HA 0.174 4.524 4.350 -0.000 0.000 0.190 301 E C 2.803 179.387 176.600 -0.026 0.000 0.979 301 E CA 0.611 56.999 56.400 -0.019 0.000 0.814 301 E CB -0.091 29.602 29.700 -0.013 0.000 0.762 301 E HN 0.359 nan 8.360 nan 0.000 0.460 302 A N 1.520 124.305 122.820 -0.059 0.000 1.898 302 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 302 A C 1.951 179.468 177.584 -0.112 0.000 1.181 302 A CA 1.229 53.199 52.037 -0.111 0.000 0.620 302 A CB -0.268 18.633 19.000 -0.166 0.000 0.819 302 A HN 0.057 nan 8.150 nan 0.000 0.442 303 K N -0.090 120.260 120.400 -0.083 0.000 2.032 303 K HA -0.155 4.164 4.320 -0.000 0.000 0.209 303 K C 2.255 178.843 176.600 -0.020 0.000 1.048 303 K CA 1.329 57.583 56.287 -0.056 0.000 0.927 303 K CB -0.525 31.948 32.500 -0.044 0.000 0.712 303 K HN 0.437 nan 8.250 nan 0.000 0.441 304 A N 1.479 124.293 122.820 -0.010 0.000 2.024 304 A HA -0.107 4.213 4.320 -0.000 0.000 0.220 304 A C 2.238 179.843 177.584 0.034 0.000 1.164 304 A CA 1.860 53.903 52.037 0.011 0.000 0.643 304 A CB -0.443 18.562 19.000 0.009 0.000 0.806 304 A HN 0.365 nan 8.150 nan 0.000 0.451 305 A N -2.393 120.452 122.820 0.042 0.000 2.218 305 A HA 0.429 4.749 4.320 -0.000 0.000 0.209 305 A C 1.745 179.441 177.584 0.187 0.000 1.168 305 A CA 1.225 53.327 52.037 0.108 0.000 0.804 305 A CB -0.557 18.525 19.000 0.137 0.000 0.834 305 A HN 1.784 nan 8.150 nan 0.000 0.482 306 G N -2.288 106.591 108.800 0.131 0.000 2.201 306 G HA2 0.158 4.117 3.960 -0.000 0.000 0.212 306 G HA3 0.158 4.117 3.960 -0.000 0.000 0.212 306 G C 0.434 175.460 174.900 0.210 0.000 0.994 306 G CA 0.097 45.321 45.100 0.207 0.000 0.644 306 G HN 1.450 nan 8.290 nan 0.000 0.508 307 A N 0.126 122.887 122.820 -0.099 0.000 2.304 307 A HA 0.757 5.077 4.320 -0.000 0.000 0.271 307 A C 1.176 178.641 177.584 -0.199 0.000 1.091 307 A CA 0.668 52.425 52.037 -0.466 0.000 0.812 307 A CB 0.519 18.839 19.000 -1.134 0.000 1.056 307 A HN 0.237 nan 8.150 nan 0.000 0.489 308 K N 0.102 120.407 120.400 -0.159 0.000 2.296 308 K HA 0.218 4.538 4.320 -0.000 0.000 0.200 308 K C 0.828 177.360 176.600 -0.113 0.000 1.048 308 K CA 0.936 57.169 56.287 -0.090 0.000 0.966 308 K CB 0.085 32.554 32.500 -0.052 0.000 0.754 308 K HN 0.949 nan 8.250 nan 0.000 0.466 309 G N 0.229 108.923 108.800 -0.176 0.000 2.315 309 G HA2 0.203 4.162 3.960 -0.000 0.000 0.294 309 G HA3 0.203 4.162 3.960 -0.000 0.000 0.294 309 G C -1.704 173.089 174.900 -0.179 0.000 1.300 309 G CA -1.055 43.954 45.100 -0.151 0.000 0.843 309 G HN -0.020 nan 8.290 nan 0.000 0.527 310 I N 1.249 121.741 120.570 -0.129 0.000 2.315 310 I HA 0.290 4.459 4.170 -0.000 0.000 0.291 310 I C -0.318 175.755 176.117 -0.073 0.000 1.006 310 I CA -0.644 60.592 61.300 -0.107 0.000 1.265 310 I CB 1.613 39.548 38.000 -0.107 0.000 1.387 310 I HN 0.351 nan 8.210 nan 0.000 0.475 311 N N 8.033 126.709 118.700 -0.039 0.000 2.621 311 N HA 0.359 5.099 4.740 -0.000 0.000 0.237 311 N C -1.032 174.493 175.510 0.025 0.000 0.997 311 N CA -0.396 52.644 53.050 -0.017 0.000 0.918 311 N CB 0.586 39.065 38.487 -0.014 0.000 1.122 311 N HN 0.465 nan 8.380 nan 0.000 0.510 312 L N 2.780 124.004 121.223 0.002 0.000 2.367 312 L HA 0.433 4.773 4.340 -0.000 0.000 0.275 312 L C 0.227 177.117 176.870 0.033 0.000 1.129 312 L CA -0.796 54.063 54.840 0.032 0.000 0.839 312 L CB 0.626 42.661 42.059 -0.040 0.000 1.133 312 L HN 0.264 nan 8.230 nan 0.000 0.453 313 V N -0.028 119.925 119.914 0.064 0.000 2.962 313 V HA 0.978 5.098 4.120 -0.000 0.000 0.313 313 V C -0.050 176.071 176.094 0.045 0.000 1.099 313 V CA -0.510 61.811 62.300 0.035 0.000 0.971 313 V CB 1.674 33.509 31.823 0.020 0.000 1.028 313 V HN 0.727 nan 8.190 nan 0.000 0.430 314 G N 1.839 110.654 108.800 0.026 0.000 2.454 314 G HA2 0.797 4.756 3.960 -0.000 0.000 0.329 314 G HA3 0.797 4.756 3.960 -0.000 0.000 0.329 314 G C -1.154 173.750 174.900 0.006 0.000 1.177 314 G CA -0.907 44.212 45.100 0.031 0.000 0.951 314 G HN 0.846 nan 8.290 nan 0.000 0.485 315 I N -0.047 120.522 120.570 -0.002 0.000 2.608 315 I HA 0.369 4.539 4.170 -0.000 0.000 0.295 315 I C 0.323 176.456 176.117 0.027 0.000 1.049 315 I CA -0.378 60.878 61.300 -0.072 0.000 1.063 315 I CB 1.785 39.572 38.000 -0.356 0.000 1.248 315 I HN 0.708 nan 8.210 nan 0.000 0.424 316 C N 2.418 121.748 119.300 0.049 0.000 0.168 316 C HA -0.263 4.197 4.460 -0.000 0.000 0.017 316 C C 2.160 177.156 174.990 0.011 0.000 0.171 316 C CA -0.343 58.731 59.018 0.094 0.000 0.499 316 C CB -1.523 26.350 27.740 0.222 0.000 3.212 316 C HN 1.039 nan 8.230 nan 0.000 1.118 317 C N -0.260 118.940 119.300 -0.166 0.000 2.435 317 C HA -0.057 4.403 4.460 -0.000 0.000 0.279 317 C C 2.688 177.663 174.990 -0.026 0.000 1.321 317 C CA 1.927 60.899 59.018 -0.077 0.000 1.752 317 C CB -1.463 26.253 27.740 -0.040 0.000 1.959 317 C HN 1.007 nan 8.230 nan 0.000 0.500 318 T N 0.168 114.670 114.554 -0.087 0.000 2.833 318 T HA -0.065 4.285 4.350 -0.000 0.000 0.269 318 T C 1.822 176.529 174.700 0.013 0.000 1.054 318 T CA 1.911 64.007 62.100 -0.007 0.000 1.135 318 T CB -0.384 68.481 68.868 -0.005 0.000 0.869 318 T HN 0.654 nan 8.240 nan 0.000 0.466 319 G N 1.243 110.060 108.800 0.029 0.000 2.418 319 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 319 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 319 G C 1.709 176.631 174.900 0.036 0.000 1.158 319 G CA 0.651 45.771 45.100 0.032 0.000 0.771 319 G HN 0.435 nan 8.290 nan 0.000 0.545 320 N N 0.926 119.666 118.700 0.067 0.000 2.084 320 N HA -0.081 4.659 4.740 -0.000 0.000 0.190 320 N C 2.162 177.683 175.510 0.018 0.000 1.030 320 N CA 1.099 54.200 53.050 0.084 0.000 0.849 320 N CB -0.292 38.306 38.487 0.185 0.000 1.012 320 N HN 0.328 nan 8.380 nan 0.000 0.423 321 E N 0.542 120.764 120.200 0.037 0.000 2.070 321 E HA -0.135 4.215 4.350 -0.000 0.000 0.197 321 E C 2.097 178.677 176.600 -0.034 0.000 1.004 321 E CA 1.399 57.809 56.400 0.018 0.000 0.805 321 E CB -0.413 29.308 29.700 0.036 0.000 0.744 321 E HN 0.425 nan 8.360 nan 0.000 0.451 322 V N -0.647 119.239 119.914 -0.046 0.000 2.788 322 V HA -0.065 4.055 4.120 -0.000 0.000 0.251 322 V C 2.380 178.438 176.094 -0.060 0.000 1.068 322 V CA 0.712 62.970 62.300 -0.069 0.000 1.090 322 V CB -0.670 31.107 31.823 -0.077 0.000 0.710 322 V HN 0.037 nan 8.190 nan 0.000 0.467 323 L N 0.223 121.416 121.223 -0.049 0.000 1.990 323 L HA -0.127 4.213 4.340 -0.000 0.000 0.213 323 L C 2.481 179.288 176.870 -0.106 0.000 1.072 323 L CA 2.405 57.205 54.840 -0.066 0.000 0.755 323 L CB -0.723 41.305 42.059 -0.052 0.000 0.889 323 L HN 0.198 nan 8.230 nan 0.000 0.432 324 M N -1.089 118.435 119.600 -0.128 0.000 2.159 324 M HA -0.157 4.322 4.480 -0.000 0.000 0.263 324 M C 2.384 178.628 176.300 -0.093 0.000 1.063 324 M CA 1.628 56.841 55.300 -0.145 0.000 1.110 324 M CB -0.864 31.664 32.600 -0.120 0.000 1.374 324 M HN 0.330 nan 8.290 nan 0.000 0.411 325 R N -0.852 119.611 120.500 -0.061 0.000 2.225 325 R HA 0.058 4.398 4.340 -0.000 0.000 0.194 325 R C 1.342 177.615 176.300 -0.046 0.000 0.957 325 R CA 0.459 56.538 56.100 -0.034 0.000 1.042 325 R CB 0.528 30.828 30.300 -0.000 0.000 1.004 325 R HN 0.352 nan 8.270 nan 0.000 0.509 326 Q N -1.249 118.515 119.800 -0.060 0.000 2.113 326 Q HA 0.223 4.562 4.340 -0.000 0.000 0.225 326 Q C 0.671 176.637 176.000 -0.058 0.000 0.786 326 Q CA 0.602 56.370 55.803 -0.058 0.000 0.989 326 Q CB 2.029 30.727 28.738 -0.067 0.000 1.174 326 Q HN 0.414 nan 8.270 nan 0.000 0.470 327 G N 1.621 110.384 108.800 -0.062 0.000 2.184 327 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.264 327 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.264 327 G C 0.330 175.204 174.900 -0.044 0.000 0.975 327 G CA -0.065 45.002 45.100 -0.055 0.000 0.642 327 G HN 0.277 nan 8.290 nan 0.000 0.536 328 I N 2.865 123.409 120.570 -0.044 0.000 2.668 328 I HA 0.136 4.306 4.170 -0.000 0.000 0.285 328 I C -1.060 175.045 176.117 -0.019 0.000 1.168 328 I CA -1.956 59.324 61.300 -0.034 0.000 1.424 328 I CB -0.162 37.816 38.000 -0.037 0.000 1.377 328 I HN 0.049 nan 8.210 nan 0.000 0.560 329 P HA 0.165 nan 4.420 nan 0.000 0.272 329 P C -0.708 176.595 177.300 0.005 0.000 1.230 329 P CA -0.312 62.785 63.100 -0.004 0.000 0.788 329 P CB 0.821 32.517 31.700 -0.007 0.000 0.949 330 L N 1.819 123.050 121.223 0.014 0.000 2.334 330 L HA 0.272 4.612 4.340 -0.000 0.000 0.277 330 L C 1.801 178.672 176.870 0.001 0.000 1.075 330 L CA -0.497 54.352 54.840 0.015 0.000 0.804 330 L CB 1.372 43.449 42.059 0.031 0.000 1.174 330 L HN 0.159 nan 8.230 nan 0.000 0.438 331 V N 0.973 120.882 119.914 -0.010 0.000 2.795 331 V HA 0.133 4.253 4.120 -0.000 0.000 0.243 331 V C 0.715 176.793 176.094 -0.027 0.000 1.069 331 V CA 1.519 63.807 62.300 -0.021 0.000 1.089 331 V CB 1.021 32.827 31.823 -0.028 0.000 0.756 331 V HN 0.965 nan 8.190 nan 0.000 0.471 332 T N -1.672 112.862 114.554 -0.034 0.000 2.661 332 T HA 0.506 4.856 4.350 -0.000 0.000 0.305 332 T C -0.817 173.862 174.700 -0.034 0.000 1.441 332 T CA 0.188 62.268 62.100 -0.034 0.000 0.999 332 T CB 1.518 70.359 68.868 -0.046 0.000 1.650 332 T HN 0.648 nan 8.240 nan 0.000 0.489 333 S N -0.154 115.538 115.700 -0.014 0.000 2.874 333 S HA 0.613 5.083 4.470 -0.000 0.000 0.318 333 S C 0.854 175.474 174.600 0.034 0.000 1.109 333 S CA -0.426 57.790 58.200 0.026 0.000 0.878 333 S CB 0.459 63.697 63.200 0.064 0.000 1.307 333 S HN 0.686 nan 8.310 nan 0.000 0.592 334 F N 1.814 121.774 119.950 0.016 0.000 2.043 334 F HA -0.043 4.484 4.527 -0.000 0.000 0.297 334 F C 2.452 178.265 175.800 0.021 0.000 1.121 334 F CA 2.438 60.459 58.000 0.035 0.000 1.199 334 F CB -0.996 38.054 39.000 0.084 0.000 0.968 334 F HN 0.675 nan 8.300 nan 0.000 0.478 335 A N -0.799 121.897 122.820 -0.206 0.000 2.066 335 A HA -0.044 4.275 4.320 -0.000 0.000 0.218 335 A C 1.892 179.320 177.584 -0.261 0.000 1.157 335 A CA 1.351 53.137 52.037 -0.419 0.000 0.670 335 A CB -1.033 17.854 19.000 -0.189 0.000 0.804 335 A HN 0.482 nan 8.150 nan 0.000 0.453 336 S N -0.253 115.408 115.700 -0.065 0.000 2.575 336 S HA 0.078 4.547 4.470 -0.000 0.000 0.237 336 S C 1.411 175.977 174.600 -0.058 0.000 0.975 336 S CA 0.205 58.450 58.200 0.075 0.000 0.960 336 S CB -0.229 63.041 63.200 0.117 0.000 0.822 336 S HN 0.765 nan 8.310 nan 0.000 0.472 337 Q N 2.096 121.787 119.800 -0.182 0.000 2.112 337 Q HA -0.245 4.095 4.340 -0.000 0.000 0.206 337 Q C 1.397 177.329 176.000 -0.112 0.000 0.987 337 Q CA 1.933 57.614 55.803 -0.205 0.000 0.858 337 Q CB -0.722 27.833 28.738 -0.304 0.000 0.905 337 Q HN 0.640 nan 8.270 nan 0.000 0.420 338 E N 0.615 120.774 120.200 -0.069 0.000 2.072 338 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 338 E C 2.014 178.600 176.600 -0.023 0.000 0.985 338 E CA 0.755 57.143 56.400 -0.020 0.000 0.801 338 E CB 0.024 29.732 29.700 0.013 0.000 0.750 338 E HN 0.222 nan 8.360 nan 0.000 0.452 339 L N 0.689 121.905 121.223 -0.012 0.000 2.187 339 L HA -0.164 4.175 4.340 -0.000 0.000 0.213 339 L C 2.340 179.165 176.870 -0.075 0.000 1.100 339 L CA 1.537 56.355 54.840 -0.037 0.000 0.765 339 L CB -1.517 40.522 42.059 -0.033 0.000 0.904 339 L HN 0.123 nan 8.230 nan 0.000 0.437 340 A N 0.059 122.832 122.820 -0.078 0.000 1.933 340 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 340 A C 2.294 179.799 177.584 -0.132 0.000 1.175 340 A CA 1.492 53.474 52.037 -0.093 0.000 0.628 340 A CB -0.488 18.458 19.000 -0.090 0.000 0.814 340 A HN 0.399 nan 8.150 nan 0.000 0.444 341 I N -0.679 119.803 120.570 -0.147 0.000 2.439 341 I HA -0.240 3.930 4.170 -0.000 0.000 0.251 341 I C 1.950 177.733 176.117 -0.557 0.000 1.139 341 I CA 0.594 61.761 61.300 -0.221 0.000 1.438 341 I CB -0.387 37.556 38.000 -0.095 0.000 1.085 341 I HN 0.321 nan 8.210 nan 0.000 0.427 342 C N 0.981 120.001 119.300 -0.468 0.000 2.449 342 C HA -0.103 4.357 4.460 -0.000 0.000 0.283 342 C C 3.045 177.773 174.990 -0.436 0.000 1.453 342 C CA 1.350 59.997 59.018 -0.619 0.000 1.779 342 C CB -1.690 25.952 27.740 -0.162 0.000 1.779 342 C HN 0.626 nan 8.230 nan 0.000 0.546 343 T N -1.638 112.750 114.554 -0.277 0.000 2.759 343 T HA 0.050 4.400 4.350 -0.000 0.000 0.269 343 T C 1.818 176.420 174.700 -0.163 0.000 1.042 343 T CA 2.109 64.124 62.100 -0.142 0.000 1.140 343 T CB -0.488 68.317 68.868 -0.104 0.000 0.864 343 T HN 0.986 nan 8.240 nan 0.000 0.455 344 G N 0.644 109.261 108.800 -0.304 0.000 2.195 344 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.246 344 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.246 344 G C 0.895 175.765 174.900 -0.051 0.000 0.984 344 G CA 0.205 45.213 45.100 -0.154 0.000 0.633 344 G HN 1.328 nan 8.290 nan 0.000 0.525 345 A N -0.002 122.775 122.820 -0.072 0.000 2.308 345 A HA 0.636 4.956 4.320 -0.000 0.000 0.217 345 A C 0.850 178.430 177.584 -0.006 0.000 1.216 345 A CA 0.248 52.270 52.037 -0.025 0.000 0.864 345 A CB 0.067 19.051 19.000 -0.028 0.000 0.902 345 A HN 0.471 nan 8.150 nan 0.000 0.499 346 I N 1.473 122.022 120.570 -0.036 0.000 2.337 346 I HA 0.142 4.311 4.170 -0.000 0.000 0.291 346 I C -0.075 176.035 176.117 -0.013 0.000 1.046 346 I CA -0.163 61.115 61.300 -0.036 0.000 1.324 346 I CB 0.547 38.503 38.000 -0.073 0.000 1.409 346 I HN 0.183 nan 8.210 nan 0.000 0.494 347 D N 4.878 125.281 120.400 0.005 0.000 2.240 347 D HA 0.176 4.816 4.640 -0.000 0.000 0.206 347 D C 0.686 176.940 176.300 -0.077 0.000 0.963 347 D CA 0.780 54.794 54.000 0.024 0.000 0.863 347 D CB 0.907 41.787 40.800 0.133 0.000 0.973 347 D HN 0.618 nan 8.370 nan 0.000 0.501 348 A N 0.385 123.073 122.820 -0.219 0.000 2.517 348 A HA 0.587 4.907 4.320 -0.000 0.000 0.297 348 A C -1.300 175.977 177.584 -0.512 0.000 1.050 348 A CA -0.603 51.186 52.037 -0.415 0.000 0.694 348 A CB 1.781 20.419 19.000 -0.604 0.000 1.277 348 A HN 0.056 nan 8.150 nan 0.000 0.400 349 M N 3.095 122.492 119.600 -0.339 0.000 2.043 349 M HA 0.452 4.932 4.480 -0.000 0.000 0.322 349 M C -1.286 174.891 176.300 -0.206 0.000 0.962 349 M CA -0.346 54.809 55.300 -0.243 0.000 0.927 349 M CB 0.629 33.179 32.600 -0.084 0.000 1.466 349 M HN 0.786 nan 8.290 nan 0.000 0.412 350 C N 7.094 126.259 119.300 -0.226 0.000 2.255 350 C HA 0.780 5.240 4.460 -0.000 0.000 0.326 350 C C -0.112 174.886 174.990 0.013 0.000 1.258 350 C CA -0.384 58.594 59.018 -0.067 0.000 1.676 350 C CB -0.321 27.463 27.740 0.074 0.000 2.314 350 C HN 0.743 nan 8.230 nan 0.000 0.509 351 V N 4.373 124.286 119.914 -0.002 0.000 3.046 351 V HA 0.820 4.940 4.120 -0.000 0.000 0.316 351 V C -0.157 175.925 176.094 -0.020 0.000 1.104 351 V CA -0.331 61.952 62.300 -0.029 0.000 1.006 351 V CB 2.140 33.921 31.823 -0.071 0.000 1.058 351 V HN 0.824 nan 8.190 nan 0.000 0.440 352 D N 1.941 122.327 120.400 -0.024 0.000 3.074 352 D HA 0.322 4.961 4.640 -0.000 0.000 0.227 352 D C 0.422 176.745 176.300 0.038 0.000 1.553 352 D CA 1.085 55.097 54.000 0.020 0.000 1.347 352 D CB 0.291 41.105 40.800 0.024 0.000 1.021 352 D HN 1.125 nan 8.370 nan 0.000 0.260 353 V N -3.070 116.880 119.914 0.061 0.000 2.808 353 V HA 0.715 4.835 4.120 -0.000 0.000 0.308 353 V C -1.467 174.695 176.094 0.113 0.000 1.099 353 V CA -0.915 61.422 62.300 0.062 0.000 0.920 353 V CB 0.984 32.834 31.823 0.045 0.000 1.014 353 V HN 0.510 nan 8.190 nan 0.000 0.425 354 Q N 1.908 121.734 119.800 0.043 0.000 3.120 354 Q HA -0.091 4.249 4.340 -0.000 0.000 0.070 354 Q C 0.238 176.333 176.000 0.158 0.000 1.644 354 Q CA 0.148 55.947 55.803 -0.007 0.000 0.291 354 Q CB -1.253 27.301 28.738 -0.307 0.000 0.583 354 Q HN 2.041 nan 8.270 nan 0.000 0.322 355 C N 0.754 120.143 119.300 0.149 0.000 4.397 355 C HA -0.205 4.254 4.460 -0.000 0.000 0.291 355 C C 0.566 175.842 174.990 0.476 0.000 1.408 355 C CA 0.684 59.892 59.018 0.317 0.000 1.971 355 C CB -2.386 25.543 27.740 0.315 0.000 1.258 355 C HN 0.509 nan 8.230 nan 0.000 0.795 356 I N 0.532 121.233 120.570 0.217 0.000 2.304 356 I HA 0.284 4.454 4.170 -0.000 0.000 0.291 356 I C 0.623 176.850 176.117 0.184 0.000 1.018 356 I CA 0.086 61.465 61.300 0.132 0.000 1.260 356 I CB 0.702 38.664 38.000 -0.063 0.000 1.390 356 I HN 0.220 nan 8.210 nan 0.000 0.475 357 M N 9.095 128.812 119.600 0.196 0.000 2.251 357 M HA 0.145 4.625 4.480 -0.000 0.000 0.346 357 M C -1.285 175.065 176.300 0.084 0.000 1.499 357 M CA -1.301 54.069 55.300 0.117 0.000 1.128 357 M CB 0.584 33.203 32.600 0.031 0.000 1.809 357 M HN 0.336 nan 8.290 nan 0.000 0.464 358 P HA -0.086 nan 4.420 nan 0.000 0.230 358 P C 0.830 178.156 177.300 0.044 0.000 1.158 358 P CA 0.983 64.114 63.100 0.052 0.000 0.769 358 P CB -0.110 31.615 31.700 0.042 0.000 0.807 359 S N 1.217 116.942 115.700 0.042 0.000 2.440 359 S HA -0.192 4.277 4.470 -0.000 0.000 0.238 359 S C 2.079 176.703 174.600 0.040 0.000 1.010 359 S CA 1.217 59.438 58.200 0.035 0.000 0.972 359 S CB -1.794 61.424 63.200 0.031 0.000 0.774 359 S HN 0.330 nan 8.310 nan 0.000 0.501 360 I N 2.092 122.689 120.570 0.046 0.000 2.290 360 I HA -0.267 3.902 4.170 -0.000 0.000 0.253 360 I C 2.438 178.581 176.117 0.043 0.000 1.112 360 I CA 1.811 63.140 61.300 0.048 0.000 1.377 360 I CB -1.142 36.895 38.000 0.062 0.000 1.060 360 I HN 0.475 nan 8.210 nan 0.000 0.428 361 S N 1.750 117.472 115.700 0.037 0.000 2.387 361 S HA 0.082 4.551 4.470 -0.000 0.000 0.226 361 S C 2.247 176.860 174.600 0.023 0.000 1.026 361 S CA 0.582 58.798 58.200 0.028 0.000 0.972 361 S CB -0.535 62.684 63.200 0.031 0.000 0.814 361 S HN 0.596 nan 8.310 nan 0.000 0.477 362 A N 1.287 124.121 122.820 0.023 0.000 1.968 362 A HA 0.169 4.488 4.320 -0.000 0.000 0.217 362 A C 2.357 179.952 177.584 0.018 0.000 1.169 362 A CA 1.348 53.393 52.037 0.013 0.000 0.638 362 A CB -0.947 18.060 19.000 0.012 0.000 0.812 362 A HN 0.443 nan 8.150 nan 0.000 0.446 363 V N -0.126 119.818 119.914 0.049 0.000 2.270 363 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 363 V C 3.065 179.244 176.094 0.141 0.000 1.043 363 V CA 1.920 64.279 62.300 0.098 0.000 1.014 363 V CB -1.195 30.698 31.823 0.116 0.000 0.645 363 V HN 0.585 nan 8.190 nan 0.000 0.447 364 A N -0.286 122.604 122.820 0.116 0.000 1.978 364 A HA -0.294 4.025 4.320 -0.000 0.000 0.220 364 A C 2.233 179.850 177.584 0.055 0.000 1.170 364 A CA 2.002 54.115 52.037 0.126 0.000 0.636 364 A CB -0.596 18.433 19.000 0.049 0.000 0.810 364 A HN 0.690 nan 8.150 nan 0.000 0.448 365 E N -0.477 119.718 120.200 -0.007 0.000 2.209 365 E HA -0.207 4.143 4.350 -0.000 0.000 0.196 365 E C 1.458 177.969 176.600 -0.149 0.000 0.993 365 E CA 1.540 57.902 56.400 -0.064 0.000 0.819 365 E CB -0.356 29.315 29.700 -0.049 0.000 0.745 365 E HN 0.672 nan 8.360 nan 0.000 0.477 366 C N 0.091 119.253 119.300 -0.229 0.000 2.539 366 C HA 0.137 4.596 4.460 -0.000 0.000 0.268 366 C C 0.729 175.255 174.990 -0.773 0.000 1.395 366 C CA -0.445 58.263 59.018 -0.516 0.000 1.757 366 C CB -1.363 25.978 27.740 -0.665 0.000 1.851 366 C HN 0.341 nan 8.230 nan 0.000 0.545 367 Y N -1.454 118.805 120.300 -0.069 0.000 3.072 367 Y HA 0.339 4.889 4.550 -0.000 0.000 0.314 367 Y C 1.448 177.294 175.900 -0.089 0.000 1.446 367 Y CA -0.808 57.271 58.100 -0.034 0.000 1.055 367 Y CB 0.189 38.662 38.460 0.023 0.000 1.365 367 Y HN -0.000 nan 8.280 nan 0.000 0.657 368 H N -1.077 118.066 119.070 0.122 0.000 2.505 368 H HA 0.188 4.744 4.556 -0.001 0.000 0.286 368 H C -0.470 174.860 175.328 0.003 0.000 1.072 368 H CA -0.024 56.042 56.048 0.029 0.000 1.141 368 H CB 0.146 29.911 29.762 0.005 0.000 1.550 368 H HN 0.411 nan 8.280 nan 0.000 0.547 369 T N 2.621 117.246 114.554 0.118 0.000 2.901 369 T HA 0.128 4.477 4.350 -0.000 0.000 0.301 369 T C 0.865 175.534 174.700 -0.052 0.000 1.012 369 T CA -0.298 61.821 62.100 0.032 0.000 1.135 369 T CB 1.122 70.009 68.868 0.032 0.000 0.936 369 T HN 0.169 nan 8.240 nan 0.000 0.539 370 R N 2.855 123.284 120.500 -0.118 0.000 2.255 370 R HA 0.373 4.713 4.340 -0.000 0.000 0.326 370 R C -0.370 175.817 176.300 -0.187 0.000 0.986 370 R CA -0.744 55.224 56.100 -0.219 0.000 0.847 370 R CB 0.973 31.088 30.300 -0.308 0.000 1.111 370 R HN 0.476 nan 8.270 nan 0.000 0.452 371 I N 5.258 125.739 120.570 -0.148 0.000 2.395 371 I HA 0.328 4.497 4.170 -0.000 0.000 0.289 371 I C 0.580 176.669 176.117 -0.047 0.000 1.023 371 I CA -0.645 60.609 61.300 -0.077 0.000 1.350 371 I CB 0.765 38.753 38.000 -0.020 0.000 1.409 371 I HN 0.465 nan 8.210 nan 0.000 0.507 372 I N 5.644 126.202 120.570 -0.020 0.000 2.476 372 I HA 0.165 4.335 4.170 -0.000 0.000 0.281 372 I C 0.424 176.579 176.117 0.063 0.000 1.040 372 I CA -0.460 60.869 61.300 0.048 0.000 1.094 372 I CB 1.764 39.781 38.000 0.029 0.000 1.219 372 I HN 0.580 nan 8.210 nan 0.000 0.450 373 T N 0.264 114.898 114.554 0.133 0.000 2.899 373 T HA 0.436 4.786 4.350 -0.000 0.000 0.284 373 T C 0.809 175.576 174.700 0.111 0.000 1.004 373 T CA 0.090 62.294 62.100 0.174 0.000 1.043 373 T CB 1.709 70.742 68.868 0.276 0.000 1.013 373 T HN 0.714 nan 8.240 nan 0.000 0.518 374 T N -2.995 111.617 114.554 0.097 0.000 3.046 374 T HA 0.500 4.850 4.350 -0.000 0.000 0.270 374 T C 0.539 175.327 174.700 0.146 0.000 0.920 374 T CA 0.054 62.148 62.100 -0.011 0.000 0.874 374 T CB -0.032 68.805 68.868 -0.051 0.000 1.214 374 T HN 1.013 nan 8.240 nan 0.000 0.536 375 A N 2.398 125.366 122.820 0.246 0.000 2.312 375 A HA 0.592 4.912 4.320 -0.000 0.000 0.326 375 A C 1.014 178.738 177.584 0.234 0.000 1.172 375 A CA -0.137 52.025 52.037 0.207 0.000 0.821 375 A CB 0.757 19.828 19.000 0.119 0.000 1.166 375 A HN 0.337 nan 8.150 nan 0.000 0.493 376 D N 1.088 121.570 120.400 0.136 0.000 2.348 376 D HA -0.134 4.506 4.640 -0.000 0.000 0.216 376 D C 0.365 176.663 176.300 -0.003 0.000 0.970 376 D CA 1.251 55.296 54.000 0.075 0.000 0.889 376 D CB -0.129 40.698 40.800 0.045 0.000 0.912 376 D HN 0.494 nan 8.370 nan 0.000 0.524 377 N N 0.178 118.877 118.700 -0.002 0.000 2.234 377 N HA 0.312 5.052 4.740 -0.000 0.000 0.227 377 N C -0.493 175.011 175.510 -0.009 0.000 1.151 377 N CA -0.330 52.708 53.050 -0.020 0.000 0.865 377 N CB 0.625 39.094 38.487 -0.030 0.000 1.066 377 N HN 0.218 nan 8.380 nan 0.000 0.515 378 A N 0.439 123.264 122.820 0.008 0.000 2.679 378 A HA 0.537 4.857 4.320 -0.000 0.000 0.288 378 A C -0.853 176.739 177.584 0.013 0.000 1.160 378 A CA -0.748 51.297 52.037 0.013 0.000 0.763 378 A CB 0.836 19.853 19.000 0.028 0.000 1.270 378 A HN 0.114 nan 8.150 nan 0.000 0.417 379 K N 1.244 121.623 120.400 -0.033 0.000 2.385 379 K HA 0.803 5.123 4.320 -0.000 0.000 0.248 379 K C -1.291 175.298 176.600 -0.019 0.000 0.955 379 K CA -0.630 55.619 56.287 -0.064 0.000 0.816 379 K CB 2.729 35.106 32.500 -0.205 0.000 1.250 379 K HN 0.567 nan 8.250 nan 0.000 0.434 380 I N 2.712 123.287 120.570 0.009 0.000 2.468 380 I HA 0.264 4.434 4.170 -0.000 0.000 0.285 380 I C -2.427 173.707 176.117 0.029 0.000 1.039 380 I CA -2.428 58.886 61.300 0.023 0.000 1.074 380 I CB 1.873 39.898 38.000 0.042 0.000 1.228 380 I HN 0.281 nan 8.210 nan 0.000 0.436 381 P HA 0.146 nan 4.420 nan 0.000 0.266 381 P C 0.939 178.263 177.300 0.040 0.000 1.195 381 P CA 0.612 63.727 63.100 0.025 0.000 0.768 381 P CB 0.677 32.385 31.700 0.013 0.000 0.838 382 G N 0.682 109.514 108.800 0.054 0.000 2.225 382 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.254 382 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.254 382 G C 0.286 175.239 174.900 0.089 0.000 0.988 382 G CA 0.066 45.204 45.100 0.062 0.000 0.625 382 G HN 0.898 nan 8.290 nan 0.000 0.527 383 A N -0.405 122.480 122.820 0.109 0.000 2.337 383 A HA 0.775 5.094 4.320 -0.000 0.000 0.331 383 A C -0.101 177.642 177.584 0.265 0.000 1.137 383 A CA -0.713 51.404 52.037 0.134 0.000 0.807 383 A CB 0.830 19.888 19.000 0.097 0.000 1.250 383 A HN 0.534 nan 8.150 nan 0.000 0.468 384 Y N 0.385 120.722 120.300 0.062 0.000 2.480 384 Y HA 0.176 4.726 4.550 -0.001 0.000 0.338 384 Y C 0.627 176.603 175.900 0.126 0.000 1.220 384 Y CA 0.475 58.621 58.100 0.078 0.000 1.430 384 Y CB 0.557 39.048 38.460 0.052 0.000 1.311 384 Y HN 0.848 nan 8.280 nan 0.000 0.575 385 H N 3.348 122.505 119.070 0.146 0.000 2.529 385 H HA 0.492 5.048 4.556 -0.000 0.000 0.348 385 H C -1.314 174.068 175.328 0.089 0.000 1.079 385 H CA -0.662 55.446 56.048 0.101 0.000 1.198 385 H CB 0.839 30.639 29.762 0.064 0.000 1.521 385 H HN 0.498 nan 8.280 nan 0.000 0.514 386 I N 3.738 124.013 120.570 -0.491 0.000 2.378 386 I HA 0.111 4.281 4.170 -0.000 0.000 0.291 386 I C -0.212 175.618 176.117 -0.479 0.000 0.992 386 I CA -0.850 60.264 61.300 -0.310 0.000 1.154 386 I CB 1.464 39.426 38.000 -0.063 0.000 1.315 386 I HN 0.638 nan 8.210 nan 0.000 0.448 387 D N 6.171 126.451 120.400 -0.201 0.000 2.489 387 D HA -0.078 4.562 4.640 -0.000 0.000 0.237 387 D C -0.474 175.861 176.300 0.058 0.000 1.212 387 D CA 0.052 54.037 54.000 -0.025 0.000 1.058 387 D CB -0.230 40.606 40.800 0.060 0.000 1.098 387 D HN 0.237 nan 8.370 nan 0.000 0.509 388 Y N 3.008 123.285 120.300 -0.039 0.000 2.537 388 Y HA 0.145 4.695 4.550 -0.000 0.000 0.339 388 Y C -0.056 175.890 175.900 0.078 0.000 1.066 388 Y CA 0.263 58.380 58.100 0.029 0.000 1.357 388 Y CB 0.257 38.745 38.460 0.047 0.000 1.175 388 Y HN 0.271 nan 8.280 nan 0.000 0.525 389 Q N 3.547 123.173 119.800 -0.289 0.000 2.365 389 Q HA 0.194 4.533 4.340 -0.000 0.000 0.269 389 Q C 0.928 176.745 176.000 -0.304 0.000 1.061 389 Q CA -0.090 55.601 55.803 -0.186 0.000 0.816 389 Q CB 1.947 30.641 28.738 -0.073 0.000 1.325 389 Q HN 0.829 nan 8.270 nan 0.000 0.446 390 T N -1.907 112.574 114.554 -0.121 0.000 2.881 390 T HA -0.143 4.206 4.350 -0.000 0.000 0.270 390 T C 1.672 176.408 174.700 0.061 0.000 1.068 390 T CA 1.268 63.358 62.100 -0.016 0.000 1.131 390 T CB -0.066 68.783 68.868 -0.031 0.000 0.871 390 T HN 0.613 nan 8.240 nan 0.000 0.479 391 A N 1.925 124.750 122.820 0.007 0.000 2.066 391 A HA 0.101 4.421 4.320 -0.000 0.000 0.218 391 A C 2.183 179.763 177.584 -0.006 0.000 1.157 391 A CA 1.364 53.411 52.037 0.017 0.000 0.670 391 A CB -0.642 18.364 19.000 0.010 0.000 0.804 391 A HN 0.691 nan 8.150 nan 0.000 0.453 392 T N -4.185 110.337 114.554 -0.054 0.000 3.331 392 T HA 0.624 4.974 4.350 -0.000 0.000 0.282 392 T C 1.115 175.770 174.700 -0.075 0.000 1.010 392 T CA 0.418 62.488 62.100 -0.050 0.000 0.928 392 T CB 0.510 69.356 68.868 -0.036 0.000 1.154 392 T HN 0.353 nan 8.240 nan 0.000 0.516 393 A N 1.717 124.480 122.820 -0.096 0.000 1.858 393 A HA 0.096 4.416 4.320 -0.000 0.000 0.216 393 A C 2.040 179.670 177.584 0.077 0.000 1.190 393 A CA 1.204 53.178 52.037 -0.105 0.000 0.617 393 A CB -0.719 18.284 19.000 0.005 0.000 0.827 393 A HN 0.516 nan 8.150 nan 0.000 0.443 394 I N 0.855 121.430 120.570 0.009 0.000 2.264 394 I HA -0.286 3.883 4.170 -0.000 0.000 0.248 394 I C 2.541 178.676 176.117 0.030 0.000 1.111 394 I CA 2.232 63.537 61.300 0.009 0.000 1.382 394 I CB -0.301 37.678 38.000 -0.036 0.000 1.060 394 I HN 0.667 nan 8.210 nan 0.000 0.418 395 E N -0.770 119.445 120.200 0.026 0.000 2.106 395 E HA -0.178 4.171 4.350 -0.000 0.000 0.192 395 E C 2.091 178.730 176.600 0.065 0.000 0.984 395 E CA 1.546 57.966 56.400 0.033 0.000 0.806 395 E CB -0.569 29.143 29.700 0.019 0.000 0.750 395 E HN 0.384 nan 8.360 nan 0.000 0.458 396 S N 1.218 116.978 115.700 0.100 0.000 2.368 396 S HA -0.138 4.332 4.470 -0.000 0.000 0.225 396 S C 2.177 176.887 174.600 0.184 0.000 1.030 396 S CA 1.165 59.468 58.200 0.171 0.000 0.999 396 S CB -0.341 63.026 63.200 0.279 0.000 0.844 396 S HN 0.535 nan 8.310 nan 0.000 0.459 397 A N 1.765 124.696 122.820 0.185 0.000 1.902 397 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 397 A C 2.041 179.646 177.584 0.034 0.000 1.181 397 A CA 1.473 53.564 52.037 0.090 0.000 0.623 397 A CB -0.425 18.611 19.000 0.059 0.000 0.818 397 A HN 0.463 nan 8.150 nan 0.000 0.443 398 K N -0.883 119.537 120.400 0.033 0.000 2.097 398 K HA -0.087 4.233 4.320 -0.000 0.000 0.206 398 K C 2.068 178.699 176.600 0.051 0.000 1.049 398 K CA 1.643 57.941 56.287 0.017 0.000 0.933 398 K CB -0.425 32.082 32.500 0.011 0.000 0.717 398 K HN 0.456 nan 8.250 nan 0.000 0.442 399 T N 1.259 115.857 114.554 0.073 0.000 2.720 399 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 399 T C 2.006 176.783 174.700 0.128 0.000 1.037 399 T CA 1.462 63.617 62.100 0.092 0.000 1.144 399 T CB -0.256 68.665 68.868 0.089 0.000 0.864 399 T HN 0.346 nan 8.240 nan 0.000 0.444 400 A N 1.301 124.212 122.820 0.153 0.000 1.858 400 A HA -0.044 4.275 4.320 -0.000 0.000 0.216 400 A C 2.266 180.056 177.584 0.343 0.000 1.190 400 A CA 1.418 53.599 52.037 0.240 0.000 0.617 400 A CB -0.908 18.261 19.000 0.282 0.000 0.827 400 A HN 0.508 nan 8.150 nan 0.000 0.443 401 I N -0.485 120.227 120.570 0.236 0.000 2.248 401 I HA -0.334 3.835 4.170 -0.000 0.000 0.248 401 I C 2.709 178.923 176.117 0.162 0.000 1.107 401 I CA 1.648 63.049 61.300 0.169 0.000 1.373 401 I CB -0.336 37.622 38.000 -0.069 0.000 1.055 401 I HN 0.294 nan 8.210 nan 0.000 0.418 402 R N 0.152 120.725 120.500 0.121 0.000 2.115 402 R HA -0.087 4.253 4.340 -0.000 0.000 0.230 402 R C 2.276 178.652 176.300 0.126 0.000 1.111 402 R CA 1.269 57.431 56.100 0.104 0.000 0.976 402 R CB -0.319 30.031 30.300 0.082 0.000 0.870 402 R HN 0.386 nan 8.270 nan 0.000 0.445 403 M N 0.024 119.713 119.600 0.148 0.000 2.229 403 M HA -0.075 4.404 4.480 -0.000 0.000 0.264 403 M C 2.430 178.791 176.300 0.102 0.000 1.063 403 M CA 1.528 56.907 55.300 0.131 0.000 1.114 403 M CB -0.191 32.492 32.600 0.138 0.000 1.387 403 M HN 0.202 nan 8.290 nan 0.000 0.420 404 A N 0.813 123.721 122.820 0.147 0.000 1.872 404 A HA -0.069 4.251 4.320 -0.000 0.000 0.214 404 A C 2.070 179.752 177.584 0.164 0.000 1.187 404 A CA 1.227 53.349 52.037 0.142 0.000 0.614 404 A CB -0.756 18.429 19.000 0.308 0.000 0.826 404 A HN 0.399 nan 8.150 nan 0.000 0.442 405 I N -0.044 120.621 120.570 0.157 0.000 2.194 405 I HA -0.275 3.895 4.170 -0.000 0.000 0.246 405 I C 2.507 178.733 176.117 0.182 0.000 1.093 405 I CA 1.438 62.831 61.300 0.156 0.000 1.355 405 I CB -0.312 37.745 38.000 0.095 0.000 1.046 405 I HN 0.294 nan 8.210 nan 0.000 0.413 406 E N 0.812 121.092 120.200 0.133 0.000 2.058 406 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 406 E C 2.379 179.037 176.600 0.097 0.000 0.997 406 E CA 1.647 58.112 56.400 0.109 0.000 0.801 406 E CB -0.412 29.345 29.700 0.096 0.000 0.746 406 E HN 0.542 nan 8.360 nan 0.000 0.450 407 A N 0.815 123.691 122.820 0.094 0.000 1.902 407 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 407 A C 2.107 179.726 177.584 0.058 0.000 1.181 407 A CA 1.312 53.388 52.037 0.065 0.000 0.623 407 A CB -0.853 18.175 19.000 0.047 0.000 0.818 407 A HN 0.287 nan 8.150 nan 0.000 0.443 408 F N 0.958 120.902 119.950 -0.009 0.000 2.043 408 F HA -0.246 4.281 4.527 -0.000 0.000 0.297 408 F C 2.196 177.973 175.800 -0.038 0.000 1.121 408 F CA 2.443 60.430 58.000 -0.022 0.000 1.199 408 F CB -0.304 38.695 39.000 -0.001 0.000 0.968 408 F HN 0.144 nan 8.300 nan 0.000 0.478 409 K N 0.037 120.444 120.400 0.011 0.000 2.074 409 K HA -0.258 4.062 4.320 -0.000 0.000 0.209 409 K C 2.059 178.544 176.600 -0.191 0.000 1.048 409 K CA 2.114 58.344 56.287 -0.096 0.000 0.926 409 K CB -0.426 32.101 32.500 0.044 0.000 0.713 409 K HN 0.420 nan 8.250 nan 0.000 0.444 410 E N 0.314 120.434 120.200 -0.132 0.000 2.118 410 E HA -0.233 4.117 4.350 -0.000 0.000 0.195 410 E C 2.088 178.455 176.600 -0.388 0.000 0.992 410 E CA 1.491 57.799 56.400 -0.154 0.000 0.804 410 E CB 0.039 29.723 29.700 -0.027 0.000 0.741 410 E HN 0.328 nan 8.360 nan 0.000 0.458 411 R N 0.389 120.598 120.500 -0.485 0.000 2.093 411 R HA -0.003 4.337 4.340 -0.000 0.000 0.224 411 R C 1.896 177.923 176.300 -0.456 0.000 1.101 411 R CA 0.781 56.509 56.100 -0.620 0.000 0.979 411 R CB -0.060 29.978 30.300 -0.436 0.000 0.877 411 R HN -0.134 nan 8.270 nan 0.000 0.441 412 K N 1.405 121.503 120.400 -0.503 0.000 2.147 412 K HA -0.106 4.214 4.320 -0.000 0.000 0.205 412 K C 1.723 178.179 176.600 -0.240 0.000 1.049 412 K CA 1.520 57.566 56.287 -0.401 0.000 0.936 412 K CB -0.044 32.138 32.500 -0.529 0.000 0.722 412 K HN 0.486 nan 8.250 nan 0.000 0.446 413 E N 0.317 120.387 120.200 -0.218 0.000 2.358 413 E HA -0.071 4.278 4.350 -0.000 0.000 0.195 413 E C 1.770 178.312 176.600 -0.097 0.000 1.010 413 E CA 0.933 57.258 56.400 -0.124 0.000 0.856 413 E CB 0.178 29.824 29.700 -0.090 0.000 0.795 413 E HN 0.296 nan 8.360 nan 0.000 0.504 414 S N -0.172 115.444 115.700 -0.140 0.000 2.470 414 S HA -0.019 4.451 4.470 -0.000 0.000 0.222 414 S C 1.023 175.595 174.600 -0.047 0.000 1.024 414 S CA 0.545 58.704 58.200 -0.069 0.000 0.931 414 S CB 0.098 63.242 63.200 -0.093 0.000 0.791 414 S HN 0.243 nan 8.310 nan 0.000 0.513 415 N N 0.233 118.881 118.700 -0.086 0.000 2.815 415 N HA -0.200 4.540 4.740 -0.000 0.000 0.247 415 N C 0.332 175.833 175.510 -0.014 0.000 1.030 415 N CA 1.185 54.203 53.050 -0.052 0.000 0.881 415 N CB -1.884 36.584 38.487 -0.032 0.000 1.134 415 N HN 0.852 nan 8.380 nan 0.000 0.582 416 R N 0.968 121.476 120.500 0.013 0.000 2.738 416 R HA 0.401 4.741 4.340 -0.000 0.000 0.268 416 R C -1.929 174.407 176.300 0.059 0.000 1.062 416 R CA -0.231 55.907 56.100 0.064 0.000 1.158 416 R CB -1.148 29.238 30.300 0.143 0.000 1.046 416 R HN 0.204 nan 8.270 nan 0.000 0.493 417 P HA 0.159 nan 4.420 nan 0.000 0.266 417 P C -0.393 176.957 177.300 0.084 0.000 1.193 417 P CA -0.027 63.120 63.100 0.077 0.000 0.770 417 P CB 0.725 32.480 31.700 0.093 0.000 0.836 418 V N 1.976 121.927 119.914 0.061 0.000 2.604 418 V HA 0.572 4.692 4.120 -0.000 0.000 0.305 418 V C -1.678 174.464 176.094 0.080 0.000 1.043 418 V CA -0.931 61.398 62.300 0.049 0.000 0.888 418 V CB 1.847 33.668 31.823 -0.003 0.000 0.995 418 V HN 0.490 nan 8.190 nan 0.000 0.429 419 Y N 5.824 126.106 120.300 -0.030 0.000 2.363 419 Y HA 0.722 5.271 4.550 -0.001 0.000 0.325 419 Y C -0.643 175.230 175.900 -0.045 0.000 0.984 419 Y CA -0.920 57.161 58.100 -0.031 0.000 1.248 419 Y CB 1.483 39.927 38.460 -0.026 0.000 1.116 419 Y HN 0.755 nan 8.280 nan 0.000 0.470 420 I N 9.256 129.444 120.570 -0.636 0.000 2.359 420 I HA 0.349 4.519 4.170 -0.000 0.000 0.284 420 I C -2.267 173.534 176.117 -0.526 0.000 1.018 420 I CA -2.289 58.764 61.300 -0.413 0.000 1.173 420 I CB 1.298 39.157 38.000 -0.234 0.000 1.326 420 I HN 0.466 nan 8.210 nan 0.000 0.462 421 P HA -0.046 nan 4.420 nan 0.000 0.264 421 P C -0.663 176.562 177.300 -0.125 0.000 1.183 421 P CA -0.119 62.898 63.100 -0.140 0.000 0.763 421 P CB 0.484 32.204 31.700 0.032 0.000 0.807 422 Q N 2.879 122.621 119.800 -0.095 0.000 3.150 422 Q HA 0.347 4.686 4.340 -0.000 0.000 0.297 422 Q C -0.194 175.785 176.000 -0.035 0.000 1.382 422 Q CA 0.129 55.888 55.803 -0.073 0.000 1.059 422 Q CB -0.291 28.406 28.738 -0.068 0.000 1.559 422 Q HN 0.513 nan 8.270 nan 0.000 0.548 423 I N 1.894 122.446 120.570 -0.029 0.000 2.497 423 I HA 0.357 4.527 4.170 -0.000 0.000 0.284 423 I C -0.362 175.748 176.117 -0.011 0.000 1.060 423 I CA -0.596 60.697 61.300 -0.011 0.000 1.071 423 I CB 1.396 39.395 38.000 -0.001 0.000 1.216 423 I HN 0.112 nan 8.210 nan 0.000 0.442 424 K N 4.240 124.636 120.400 -0.006 0.000 2.555 424 K HA 0.607 4.927 4.320 -0.000 0.000 0.279 424 K C -1.608 174.995 176.600 0.005 0.000 0.986 424 K CA -1.087 55.198 56.287 -0.003 0.000 0.880 424 K CB 2.415 34.910 32.500 -0.009 0.000 1.474 424 K HN 0.251 nan 8.250 nan 0.000 0.433 425 N N 0.589 119.294 118.700 0.009 0.000 2.321 425 N HA 0.306 5.045 4.740 -0.000 0.000 0.290 425 N C -1.317 174.201 175.510 0.014 0.000 1.212 425 N CA -0.829 52.229 53.050 0.014 0.000 0.767 425 N CB 2.579 41.080 38.487 0.022 0.000 1.494 425 N HN 0.567 nan 8.380 nan 0.000 0.479 426 R N 0.491 120.999 120.500 0.015 0.000 2.594 426 R HA 0.453 4.793 4.340 -0.000 0.000 0.272 426 R C -1.005 175.308 176.300 0.022 0.000 1.074 426 R CA -0.142 55.967 56.100 0.014 0.000 1.105 426 R CB 0.496 30.804 30.300 0.013 0.000 1.008 426 R HN 0.254 nan 8.270 nan 0.000 0.472 427 V N 4.710 124.638 119.914 0.024 0.000 2.841 427 V HA 0.385 4.504 4.120 -0.000 0.000 0.310 427 V C -1.011 175.104 176.094 0.035 0.000 1.090 427 V CA -0.766 61.558 62.300 0.039 0.000 0.930 427 V CB 2.439 34.294 31.823 0.053 0.000 1.014 427 V HN 0.579 nan 8.190 nan 0.000 0.425 428 V N 4.091 124.040 119.914 0.058 0.000 2.459 428 V HA 0.956 5.076 4.120 -0.000 0.000 0.295 428 V C 0.296 176.454 176.094 0.107 0.000 1.029 428 V CA 0.069 62.405 62.300 0.059 0.000 0.874 428 V CB 1.241 33.125 31.823 0.103 0.000 0.985 428 V HN 1.097 nan 8.190 nan 0.000 0.438 429 A N 2.835 125.630 122.820 -0.042 0.000 2.566 429 A HA 0.937 5.257 4.320 -0.000 0.000 0.291 429 A C 0.756 178.107 177.584 -0.388 0.000 1.278 429 A CA -0.189 51.797 52.037 -0.085 0.000 0.711 429 A CB 1.081 19.979 19.000 -0.170 0.000 1.332 429 A HN 2.050 nan 8.150 nan 0.000 0.478 430 G N -2.672 105.930 108.800 -0.330 0.000 2.134 430 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.209 430 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.209 430 G C -0.242 174.459 174.900 -0.332 0.000 0.993 430 G CA 0.259 45.155 45.100 -0.341 0.000 0.669 430 G HN 0.914 nan 8.290 nan 0.000 0.519 431 W N 3.165 124.537 121.300 0.119 0.000 1.606 431 W HA 0.536 5.196 4.660 -0.000 0.000 0.455 431 W C 1.343 177.967 176.519 0.175 0.000 0.711 431 W CA -0.223 57.240 57.345 0.197 0.000 1.876 431 W CB -0.292 29.370 29.460 0.336 0.000 1.776 431 W HN 0.477 nan 8.180 nan 0.000 0.229 432 S N 0.481 116.335 115.700 0.257 0.000 2.563 432 S HA -0.110 4.359 4.470 -0.000 0.000 0.269 432 S C 1.013 175.776 174.600 0.272 0.000 1.364 432 S CA -0.585 57.745 58.200 0.217 0.000 1.010 432 S CB 0.881 64.166 63.200 0.141 0.000 0.877 432 S HN 0.451 nan 8.310 nan 0.000 0.549 433 L N 0.610 121.963 121.223 0.216 0.000 2.201 433 L HA 0.033 4.372 4.340 -0.000 0.000 0.212 433 L C 2.178 179.153 176.870 0.176 0.000 1.105 433 L CA 1.762 56.722 54.840 0.200 0.000 0.775 433 L CB -1.180 40.977 42.059 0.163 0.000 0.913 433 L HN 0.789 nan 8.230 nan 0.000 0.440 434 E N -0.007 120.285 120.200 0.154 0.000 2.077 434 E HA -0.148 4.201 4.350 -0.000 0.000 0.193 434 E C 2.271 178.965 176.600 0.157 0.000 0.989 434 E CA 1.491 57.969 56.400 0.129 0.000 0.800 434 E CB -0.538 29.224 29.700 0.103 0.000 0.746 434 E HN 0.598 nan 8.360 nan 0.000 0.452 435 A N 0.494 123.433 122.820 0.198 0.000 1.898 435 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 435 A C 2.191 180.006 177.584 0.386 0.000 1.181 435 A CA 1.050 53.238 52.037 0.251 0.000 0.620 435 A CB -0.608 18.521 19.000 0.214 0.000 0.819 435 A HN 0.185 nan 8.150 nan 0.000 0.442 436 L N -0.867 120.599 121.223 0.405 0.000 2.056 436 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 436 L C 2.750 179.723 176.870 0.172 0.000 1.078 436 L CA 1.732 56.760 54.840 0.313 0.000 0.749 436 L CB -0.799 41.387 42.059 0.211 0.000 0.901 436 L HN 0.333 nan 8.230 nan 0.000 0.433 437 T N -0.482 114.159 114.554 0.145 0.000 2.833 437 T HA -0.224 4.126 4.350 -0.000 0.000 0.269 437 T C 1.844 176.601 174.700 0.096 0.000 1.054 437 T CA 1.640 63.798 62.100 0.096 0.000 1.135 437 T CB -0.081 68.840 68.868 0.087 0.000 0.869 437 T HN 0.335 nan 8.240 nan 0.000 0.466 438 K N 0.710 121.185 120.400 0.126 0.000 2.116 438 K HA 0.043 4.363 4.320 -0.000 0.000 0.203 438 K C 2.269 178.943 176.600 0.123 0.000 1.052 438 K CA 0.617 56.970 56.287 0.110 0.000 0.952 438 K CB -0.323 32.240 32.500 0.106 0.000 0.729 438 K HN 0.172 nan 8.250 nan 0.000 0.446 439 L N 1.837 123.168 121.223 0.180 0.000 1.989 439 L HA -0.130 4.209 4.340 -0.000 0.000 0.211 439 L C 2.011 178.928 176.870 0.077 0.000 1.071 439 L CA 1.673 56.615 54.840 0.170 0.000 0.749 439 L CB -0.396 41.827 42.059 0.272 0.000 0.890 439 L HN 0.256 nan 8.230 nan 0.000 0.431 440 L N -0.606 120.649 121.223 0.052 0.000 2.191 440 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 440 L C 2.599 179.483 176.870 0.023 0.000 1.103 440 L CA 0.935 55.784 54.840 0.015 0.000 0.769 440 L CB -0.988 41.073 42.059 0.003 0.000 0.908 440 L HN 0.387 nan 8.230 nan 0.000 0.438 441 A N 0.261 123.104 122.820 0.039 0.000 2.067 441 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 441 A C 2.399 179.999 177.584 0.028 0.000 1.158 441 A CA 1.792 53.849 52.037 0.033 0.000 0.661 441 A CB -0.841 18.183 19.000 0.040 0.000 0.801 441 A HN 0.528 nan 8.150 nan 0.000 0.452 442 T N -2.923 111.649 114.554 0.030 0.000 2.977 442 T HA -0.116 4.233 4.350 -0.000 0.000 0.271 442 T C 1.554 176.259 174.700 0.008 0.000 1.105 442 T CA 1.419 63.532 62.100 0.022 0.000 1.116 442 T CB -0.183 68.702 68.868 0.027 0.000 0.878 442 T HN 0.523 nan 8.240 nan 0.000 0.509 443 Q N 0.421 120.222 119.800 0.002 0.000 2.396 443 Q HA 0.253 4.593 4.340 -0.000 0.000 0.220 443 Q C 0.260 176.265 176.000 0.008 0.000 0.900 443 Q CA 0.318 56.120 55.803 -0.002 0.000 0.925 443 Q CB 0.378 29.109 28.738 -0.013 0.000 1.065 443 Q HN 0.498 nan 8.270 nan 0.000 0.535 444 N N -0.327 118.380 118.700 0.011 0.000 2.793 444 N HA 0.243 4.983 4.740 -0.000 0.000 0.251 444 N C -0.335 175.184 175.510 0.015 0.000 1.308 444 N CA 0.205 53.263 53.050 0.013 0.000 0.781 444 N CB 1.010 39.506 38.487 0.014 0.000 1.439 444 N HN -0.030 nan 8.380 nan 0.000 0.562 445 A N 2.224 125.053 122.820 0.015 0.000 1.902 445 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 445 A C 1.563 179.157 177.584 0.016 0.000 1.181 445 A CA 1.533 53.580 52.037 0.017 0.000 0.623 445 A CB -0.079 18.931 19.000 0.016 0.000 0.818 445 A HN 0.629 nan 8.150 nan 0.000 0.443 446 Q N -1.093 118.715 119.800 0.013 0.000 2.311 446 Q HA 0.085 4.425 4.340 -0.000 0.000 0.203 446 Q C 0.344 176.350 176.000 0.010 0.000 0.954 446 Q CA 1.007 56.817 55.803 0.011 0.000 0.885 446 Q CB 0.221 28.964 28.738 0.009 0.000 0.963 446 Q HN 0.576 nan 8.270 nan 0.000 0.471 447 N N -1.113 117.593 118.700 0.011 0.000 2.732 447 N HA 0.152 4.892 4.740 -0.000 0.000 0.230 447 N C -2.560 172.956 175.510 0.010 0.000 1.487 447 N CA -1.190 51.865 53.050 0.009 0.000 0.765 447 N CB 0.804 39.295 38.487 0.006 0.000 1.384 447 N HN -0.192 nan 8.380 nan 0.000 0.530 448 P HA -0.080 nan 4.420 nan 0.000 0.216 448 P C 1.530 178.834 177.300 0.006 0.000 1.150 448 P CA 0.549 63.658 63.100 0.015 0.000 0.843 448 P CB 0.532 32.247 31.700 0.025 0.000 0.787 449 I N -0.676 119.895 120.570 0.001 0.000 2.546 449 I HA -0.089 4.081 4.170 -0.000 0.000 0.255 449 I C 2.193 178.299 176.117 -0.018 0.000 1.163 449 I CA 0.992 62.283 61.300 -0.014 0.000 1.457 449 I CB -0.587 37.409 38.000 -0.007 0.000 1.092 449 I HN -0.299 nan 8.210 nan 0.000 0.434 450 R N 0.081 120.578 120.500 -0.006 0.000 2.170 450 R HA -0.143 4.196 4.340 -0.000 0.000 0.242 450 R C 1.981 178.283 176.300 0.003 0.000 1.145 450 R CA 1.775 57.873 56.100 -0.004 0.000 0.984 450 R CB -0.926 29.376 30.300 0.003 0.000 0.869 450 R HN 0.314 nan 8.270 nan 0.000 0.455 451 V N 0.132 120.055 119.914 0.015 0.000 2.307 451 V HA -0.180 3.940 4.120 -0.000 0.000 0.245 451 V C 2.120 178.262 176.094 0.079 0.000 1.045 451 V CA 1.632 63.968 62.300 0.061 0.000 1.024 451 V CB -0.556 31.304 31.823 0.063 0.000 0.651 451 V HN 0.287 nan 8.190 nan 0.000 0.449 452 L N 0.600 121.810 121.223 -0.021 0.000 2.027 452 L HA -0.082 4.258 4.340 -0.000 0.000 0.206 452 L C 2.225 178.982 176.870 -0.189 0.000 1.074 452 L CA 1.850 56.563 54.840 -0.213 0.000 0.745 452 L CB -0.912 40.956 42.059 -0.318 0.000 0.898 452 L HN 0.274 nan 8.230 nan 0.000 0.433 453 N N -0.408 118.231 118.700 -0.101 0.000 2.043 453 N HA -0.252 4.488 4.740 -0.000 0.000 0.193 453 N C 1.889 177.366 175.510 -0.055 0.000 1.037 453 N CA 1.473 54.483 53.050 -0.067 0.000 0.851 453 N CB -0.416 38.049 38.487 -0.035 0.000 1.027 453 N HN 0.366 nan 8.380 nan 0.000 0.422 454 Q N 0.599 120.381 119.800 -0.031 0.000 2.135 454 Q HA 0.072 4.412 4.340 -0.000 0.000 0.204 454 Q C 1.736 177.724 176.000 -0.021 0.000 0.981 454 Q CA 1.648 57.443 55.803 -0.012 0.000 0.856 454 Q CB -0.521 28.223 28.738 0.011 0.000 0.902 454 Q HN 0.406 nan 8.270 nan 0.000 0.425 455 A N -0.606 122.186 122.820 -0.047 0.000 2.067 455 A HA -0.064 4.255 4.320 -0.000 0.000 0.219 455 A C 1.952 179.464 177.584 -0.120 0.000 1.158 455 A CA 1.069 53.058 52.037 -0.080 0.000 0.661 455 A CB -0.449 18.429 19.000 -0.203 0.000 0.801 455 A HN 0.446 nan 8.150 nan 0.000 0.452 456 I N -0.902 119.590 120.570 -0.129 0.000 2.400 456 I HA -0.115 4.055 4.170 -0.000 0.000 0.248 456 I C 2.113 178.203 176.117 -0.045 0.000 1.109 456 I CA 0.640 61.882 61.300 -0.097 0.000 1.425 456 I CB -0.207 37.735 38.000 -0.097 0.000 1.094 456 I HN 0.221 nan 8.210 nan 0.000 0.425 457 L N 0.447 121.650 121.223 -0.035 0.000 2.201 457 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 457 L C 1.576 178.442 176.870 -0.006 0.000 1.105 457 L CA 1.039 55.870 54.840 -0.015 0.000 0.775 457 L CB -0.512 41.540 42.059 -0.011 0.000 0.913 457 L HN 0.240 nan 8.230 nan 0.000 0.440 458 D N -0.250 120.146 120.400 -0.007 0.000 2.347 458 D HA 0.035 4.675 4.640 -0.000 0.000 0.213 458 D C 1.726 178.030 176.300 0.006 0.000 0.985 458 D CA 1.080 55.083 54.000 0.004 0.000 0.879 458 D CB 0.435 41.242 40.800 0.013 0.000 0.919 458 D HN 0.363 nan 8.370 nan 0.000 0.526 459 G N 1.207 110.006 108.800 -0.002 0.000 2.175 459 G HA2 -0.352 3.607 3.960 -0.000 0.000 0.244 459 G HA3 -0.352 3.607 3.960 -0.000 0.000 0.244 459 G C 0.939 175.839 174.900 -0.000 0.000 0.982 459 G CA 0.549 45.651 45.100 0.003 0.000 0.641 459 G HN 0.427 nan 8.290 nan 0.000 0.527 460 E N -0.476 119.719 120.200 -0.007 0.000 2.072 460 E HA 0.192 4.542 4.350 -0.000 0.000 0.190 460 E C 1.015 177.594 176.600 -0.034 0.000 0.982 460 E CA 0.438 56.840 56.400 0.003 0.000 0.803 460 E CB -0.014 29.705 29.700 0.031 0.000 0.755 460 E HN 0.587 nan 8.360 nan 0.000 0.453 461 L N -0.194 120.969 121.223 -0.099 0.000 2.334 461 L HA 0.420 4.759 4.340 -0.000 0.000 0.276 461 L C 0.805 177.631 176.870 -0.074 0.000 1.014 461 L CA -0.392 54.375 54.840 -0.122 0.000 0.815 461 L CB 1.821 43.724 42.059 -0.261 0.000 1.268 461 L HN -0.032 nan 8.230 nan 0.000 0.428 462 A N 2.006 124.797 122.820 -0.048 0.000 2.014 462 A HA 0.458 4.778 4.320 -0.000 0.000 0.218 462 A C 0.973 178.537 177.584 -0.032 0.000 1.163 462 A CA 1.301 53.322 52.037 -0.028 0.000 0.652 462 A CB -0.280 18.708 19.000 -0.020 0.000 0.808 462 A HN 0.979 nan 8.150 nan 0.000 0.449 463 G N -2.898 105.866 108.800 -0.060 0.000 2.351 463 G HA2 0.370 4.330 3.960 -0.000 0.000 0.279 463 G HA3 0.370 4.330 3.960 -0.000 0.000 0.279 463 G C -1.414 173.436 174.900 -0.084 0.000 1.297 463 G CA -0.121 44.941 45.100 -0.063 0.000 0.886 463 G HN 0.531 nan 8.290 nan 0.000 0.493 464 V N 0.722 120.566 119.914 -0.115 0.000 2.435 464 V HA 0.752 4.872 4.120 -0.000 0.000 0.290 464 V C 0.567 176.398 176.094 -0.438 0.000 1.030 464 V CA 0.074 62.255 62.300 -0.199 0.000 0.881 464 V CB 1.048 32.770 31.823 -0.170 0.000 0.983 464 V HN 1.686 nan 8.190 nan 0.000 0.445 465 A N 5.650 128.237 122.820 -0.387 0.000 2.318 465 A HA 0.744 5.064 4.320 -0.000 0.000 0.317 465 A C -0.810 176.498 177.584 -0.462 0.000 1.159 465 A CA -0.532 51.218 52.037 -0.478 0.000 0.799 465 A CB 1.245 20.071 19.000 -0.290 0.000 1.194 465 A HN 0.771 nan 8.150 nan 0.000 0.479 466 L N 4.911 125.775 121.223 -0.597 0.000 2.276 466 L HA 0.491 4.831 4.340 -0.000 0.000 0.286 466 L C -1.196 175.545 176.870 -0.215 0.000 1.061 466 L CA -0.293 54.358 54.840 -0.314 0.000 0.807 466 L CB 0.684 42.592 42.059 -0.252 0.000 1.177 466 L HN 0.509 nan 8.230 nan 0.000 0.429 467 I N 5.905 126.418 120.570 -0.094 0.000 2.354 467 I HA 0.453 4.622 4.170 -0.000 0.000 0.292 467 I C 0.430 176.567 176.117 0.033 0.000 0.989 467 I CA -0.429 60.856 61.300 -0.024 0.000 1.188 467 I CB 0.884 38.882 38.000 -0.004 0.000 1.342 467 I HN 0.734 nan 8.210 nan 0.000 0.457 468 C N 2.518 121.868 119.300 0.084 0.000 3.335 468 C HA 1.015 5.474 4.460 -0.000 0.000 0.356 468 C C 0.397 175.483 174.990 0.161 0.000 1.570 468 C CA 0.055 59.144 59.018 0.118 0.000 1.271 468 C CB 1.204 29.045 27.740 0.168 0.000 1.873 468 C HN 1.380 nan 8.230 nan 0.000 0.439 469 G N -0.543 108.344 108.800 0.146 0.000 2.587 469 G HA2 0.127 4.087 3.960 -0.000 0.000 0.212 469 G HA3 0.127 4.087 3.960 -0.000 0.000 0.212 469 G C -0.305 174.697 174.900 0.171 0.000 1.327 469 G CA -0.131 45.056 45.100 0.144 0.000 0.898 469 G HN 1.782 nan 8.290 nan 0.000 0.551 470 C N -0.466 118.926 119.300 0.153 0.000 2.566 470 C HA 0.836 5.296 4.460 -0.000 0.000 0.401 470 C C 0.569 175.711 174.990 0.253 0.000 2.232 470 C CA -0.919 58.171 59.018 0.120 0.000 1.808 470 C CB 0.790 28.491 27.740 -0.065 0.000 2.068 470 C HN 0.850 nan 8.230 nan 0.000 0.441 471 N N 1.874 120.713 118.700 0.231 0.000 2.404 471 N HA 0.418 5.158 4.740 -0.000 0.000 0.297 471 N C -1.307 174.290 175.510 0.146 0.000 1.163 471 N CA -0.127 53.065 53.050 0.235 0.000 0.864 471 N CB 1.305 39.976 38.487 0.306 0.000 1.247 471 N HN 0.682 nan 8.380 nan 0.000 0.510 472 N N 1.732 120.472 118.700 0.066 0.000 2.549 472 N HA 0.191 4.931 4.740 -0.000 0.000 0.290 472 N C 0.023 175.497 175.510 -0.061 0.000 1.122 472 N CA -0.281 52.788 53.050 0.031 0.000 0.885 472 N CB 0.893 39.396 38.487 0.026 0.000 1.455 472 N HN 0.443 nan 8.380 nan 0.000 0.521 473 L N 2.622 123.745 121.223 -0.167 0.000 2.633 473 L HA -0.011 4.329 4.340 -0.000 0.000 0.235 473 L C 1.946 178.307 176.870 -0.848 0.000 1.163 473 L CA 0.579 55.125 54.840 -0.491 0.000 0.859 473 L CB -0.039 41.633 42.059 -0.645 0.000 0.973 473 L HN 0.467 nan 8.230 nan 0.000 0.451 474 K N 0.283 120.460 120.400 -0.373 0.000 2.103 474 K HA -0.077 4.243 4.320 -0.000 0.000 0.207 474 K C 1.146 177.693 176.600 -0.089 0.000 1.048 474 K CA 1.037 57.243 56.287 -0.135 0.000 0.930 474 K CB -0.090 32.480 32.500 0.116 0.000 0.716 474 K HN 0.385 nan 8.250 nan 0.000 0.444 475 G N -0.484 108.288 108.800 -0.047 0.000 2.489 475 G HA2 0.409 4.368 3.960 -0.000 0.000 0.327 475 G HA3 0.409 4.368 3.960 -0.000 0.000 0.327 475 G C -0.873 174.119 174.900 0.154 0.000 1.189 475 G CA -0.814 44.325 45.100 0.066 0.000 0.962 475 G HN -0.073 nan 8.290 nan 0.000 0.486 476 F N 0.759 120.664 119.950 -0.075 0.000 2.612 476 F HA 0.059 4.585 4.527 -0.000 0.000 0.389 476 F C 1.417 177.222 175.800 0.008 0.000 1.055 476 F CA -0.283 57.703 58.000 -0.024 0.000 1.232 476 F CB 0.350 39.350 39.000 0.001 0.000 1.044 476 F HN 0.429 nan 8.300 nan 0.000 0.560 477 Q N 3.799 123.696 119.800 0.162 0.000 2.398 477 Q HA -0.127 4.212 4.340 -0.000 0.000 0.329 477 Q C 0.219 176.325 176.000 0.177 0.000 1.079 477 Q CA 0.770 56.671 55.803 0.162 0.000 1.041 477 Q CB 0.201 29.070 28.738 0.218 0.000 1.084 477 Q HN 0.786 nan 8.270 nan 0.000 0.386 478 D N 2.032 122.546 120.400 0.189 0.000 2.495 478 D HA -0.265 4.375 4.640 -0.000 0.000 0.175 478 D C 0.719 177.099 176.300 0.135 0.000 1.040 478 D CA 1.508 55.638 54.000 0.216 0.000 1.049 478 D CB -1.154 39.746 40.800 0.168 0.000 1.105 478 D HN 0.780 nan 8.370 nan 0.000 0.457 479 N N 0.290 119.057 118.700 0.111 0.000 2.061 479 N HA -0.108 4.631 4.740 -0.000 0.000 0.193 479 N C 1.452 176.971 175.510 0.016 0.000 1.030 479 N CA 2.473 55.564 53.050 0.068 0.000 0.856 479 N CB -0.152 38.377 38.487 0.070 0.000 1.023 479 N HN 0.245 nan 8.380 nan 0.000 0.424 480 S N -0.863 114.821 115.700 -0.026 0.000 2.414 480 S HA -0.027 4.443 4.470 -0.000 0.000 0.227 480 S C 1.549 176.107 174.600 -0.070 0.000 1.022 480 S CA 0.290 58.450 58.200 -0.067 0.000 0.958 480 S CB -0.412 62.731 63.200 -0.095 0.000 0.797 480 S HN 0.450 nan 8.310 nan 0.000 0.493 481 H N 1.483 120.563 119.070 0.017 0.000 2.290 481 H HA 0.002 4.557 4.556 -0.000 0.000 0.298 481 H C 2.148 177.449 175.328 -0.046 0.000 1.087 481 H CA 1.131 57.174 56.048 -0.009 0.000 1.291 481 H CB -0.542 29.217 29.762 -0.006 0.000 1.369 481 H HN 0.249 nan 8.280 nan 0.000 0.492 482 L N 0.212 121.482 121.223 0.079 0.000 2.044 482 L HA -0.116 4.224 4.340 -0.000 0.000 0.205 482 L C 2.480 179.319 176.870 -0.052 0.000 1.075 482 L CA 1.313 56.141 54.840 -0.020 0.000 0.747 482 L CB -0.996 41.054 42.059 -0.016 0.000 0.903 482 L HN 0.277 nan 8.230 nan 0.000 0.435 483 T N -0.022 114.515 114.554 -0.029 0.000 2.665 483 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 483 T C 2.082 176.746 174.700 -0.059 0.000 1.035 483 T CA 1.407 63.481 62.100 -0.043 0.000 1.151 483 T CB -0.279 68.565 68.868 -0.040 0.000 0.862 483 T HN 0.057 nan 8.240 nan 0.000 0.438 484 V N 1.093 120.973 119.914 -0.057 0.000 2.307 484 V HA -0.153 3.967 4.120 -0.000 0.000 0.245 484 V C 2.492 178.538 176.094 -0.081 0.000 1.045 484 V CA 1.675 63.929 62.300 -0.077 0.000 1.024 484 V CB -0.528 31.260 31.823 -0.058 0.000 0.651 484 V HN 0.466 nan 8.190 nan 0.000 0.449 485 M N -0.761 118.795 119.600 -0.074 0.000 2.086 485 M HA -0.228 4.252 4.480 -0.000 0.000 0.261 485 M C 2.293 178.512 176.300 -0.135 0.000 1.067 485 M CA 1.970 57.204 55.300 -0.109 0.000 1.116 485 M CB -0.421 32.102 32.600 -0.129 0.000 1.348 485 M HN 0.209 nan 8.290 nan 0.000 0.407 486 K N -0.236 120.073 120.400 -0.151 0.000 2.032 486 K HA -0.235 4.085 4.320 -0.000 0.000 0.209 486 K C 1.927 178.504 176.600 -0.039 0.000 1.048 486 K CA 1.666 57.883 56.287 -0.116 0.000 0.927 486 K CB -0.213 32.238 32.500 -0.082 0.000 0.712 486 K HN 0.127 nan 8.250 nan 0.000 0.441 487 E N 1.160 121.330 120.200 -0.050 0.000 2.110 487 E HA -0.129 4.220 4.350 -0.000 0.000 0.193 487 E C 1.757 178.327 176.600 -0.050 0.000 0.988 487 E CA 1.171 57.545 56.400 -0.044 0.000 0.804 487 E CB -0.114 29.549 29.700 -0.063 0.000 0.745 487 E HN 0.218 nan 8.360 nan 0.000 0.458 488 L N -0.311 120.870 121.223 -0.069 0.000 2.072 488 L HA -0.099 4.240 4.340 -0.000 0.000 0.205 488 L C 2.499 179.339 176.870 -0.050 0.000 1.079 488 L CA 0.697 55.494 54.840 -0.072 0.000 0.752 488 L CB -0.437 41.563 42.059 -0.098 0.000 0.906 488 L HN 0.179 nan 8.230 nan 0.000 0.436 489 L N 0.180 121.377 121.223 -0.044 0.000 2.017 489 L HA -0.257 4.083 4.340 -0.000 0.000 0.208 489 L C 2.718 179.603 176.870 0.025 0.000 1.073 489 L CA 1.466 56.300 54.840 -0.011 0.000 0.745 489 L CB -0.563 41.495 42.059 -0.001 0.000 0.894 489 L HN 0.257 nan 8.230 nan 0.000 0.432 490 K N 0.220 120.640 120.400 0.033 0.000 2.127 490 K HA -0.220 4.100 4.320 -0.000 0.000 0.208 490 K C 1.216 177.827 176.600 0.017 0.000 1.047 490 K CA 1.714 58.022 56.287 0.035 0.000 0.927 490 K CB -0.037 32.481 32.500 0.031 0.000 0.716 490 K HN 0.361 nan 8.250 nan 0.000 0.450 491 N N 0.981 119.681 118.700 0.000 0.000 2.251 491 N HA 0.024 4.764 4.740 -0.000 0.000 0.217 491 N C -0.792 174.715 175.510 -0.005 0.000 1.124 491 N CA 0.153 53.199 53.050 -0.006 0.000 0.843 491 N CB 0.545 39.020 38.487 -0.021 0.000 1.024 491 N HN 0.241 nan 8.380 nan 0.000 0.501 492 N N -0.299 118.404 118.700 0.006 0.000 2.776 492 N HA -0.135 4.605 4.740 -0.000 0.000 0.250 492 N C -0.563 174.941 175.510 -0.010 0.000 1.112 492 N CA 0.335 53.391 53.050 0.011 0.000 0.733 492 N CB -1.714 36.781 38.487 0.012 0.000 1.097 492 N HN 0.009 nan 8.380 nan 0.000 0.558 493 V N 1.452 121.351 119.914 -0.024 0.000 2.488 493 V HA 0.172 4.291 4.120 -0.000 0.000 0.277 493 V C 0.812 176.894 176.094 -0.020 0.000 1.046 493 V CA -0.477 61.799 62.300 -0.040 0.000 0.986 493 V CB 0.446 32.223 31.823 -0.075 0.000 0.989 493 V HN 0.215 nan 8.190 nan 0.000 0.475 494 F N 5.966 125.821 119.950 -0.158 0.000 2.494 494 F HA 0.328 4.855 4.527 -0.000 0.000 0.369 494 F C 0.200 175.909 175.800 -0.151 0.000 1.098 494 F CA 0.121 58.028 58.000 -0.154 0.000 1.154 494 F CB 0.572 39.416 39.000 -0.260 0.000 1.103 494 F HN 0.254 nan 8.300 nan 0.000 0.549 495 V N 7.947 127.591 119.914 -0.451 0.000 2.350 495 V HA 0.328 4.448 4.120 -0.000 0.000 0.276 495 V C -0.318 175.626 176.094 -0.250 0.000 1.028 495 V CA -0.694 61.443 62.300 -0.272 0.000 0.860 495 V CB 1.137 32.842 31.823 -0.198 0.000 0.990 495 V HN 0.615 nan 8.190 nan 0.000 0.453 496 V N 2.647 122.490 119.914 -0.120 0.000 2.713 496 V HA 1.041 5.161 4.120 -0.000 0.000 0.307 496 V C 0.097 176.201 176.094 0.015 0.000 1.052 496 V CA -0.582 61.729 62.300 0.018 0.000 0.967 496 V CB 1.485 33.390 31.823 0.138 0.000 1.019 496 V HN 1.001 nan 8.190 nan 0.000 0.459 497 A N 2.787 125.646 122.820 0.064 0.000 2.498 497 A HA 1.004 5.324 4.320 -0.000 0.000 0.298 497 A C -0.158 177.459 177.584 0.055 0.000 1.075 497 A CA -0.057 51.984 52.037 0.007 0.000 0.714 497 A CB 2.062 21.003 19.000 -0.098 0.000 1.299 497 A HN 1.719 nan 8.150 nan 0.000 0.407 498 T N -1.810 112.771 114.554 0.045 0.000 2.865 498 T HA 0.852 5.202 4.350 -0.000 0.000 0.294 498 T C 0.650 175.375 174.700 0.042 0.000 1.119 498 T CA 0.304 62.471 62.100 0.111 0.000 1.007 498 T CB 0.994 69.997 68.868 0.225 0.000 1.225 498 T HN 2.702 nan 8.240 nan 0.000 0.515 499 G N -0.306 108.563 108.800 0.115 0.000 2.569 499 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.259 499 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.259 499 G C 1.073 175.984 174.900 0.018 0.000 1.263 499 G CA 0.022 45.186 45.100 0.106 0.000 0.928 499 G HN 1.369 nan 8.290 nan 0.000 0.572 500 C N 0.107 119.424 119.300 0.027 0.000 2.432 500 C HA 0.174 4.634 4.460 -0.000 0.000 0.282 500 C C 3.213 178.038 174.990 -0.275 0.000 1.388 500 C CA 1.662 60.668 59.018 -0.019 0.000 1.777 500 C CB -1.291 26.517 27.740 0.113 0.000 1.882 500 C HN 0.830 nan 8.230 nan 0.000 0.520 501 S N 0.800 116.253 115.700 -0.412 0.000 2.348 501 S HA -0.126 4.344 4.470 -0.000 0.000 0.221 501 S C 2.165 176.507 174.600 -0.431 0.000 1.033 501 S CA 1.568 59.313 58.200 -0.758 0.000 1.010 501 S CB -0.298 62.704 63.200 -0.330 0.000 0.891 501 S HN 0.647 nan 8.310 nan 0.000 0.442 502 A N 1.010 123.632 122.820 -0.331 0.000 1.940 502 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 502 A C 2.061 179.434 177.584 -0.352 0.000 1.176 502 A CA 1.647 53.410 52.037 -0.457 0.000 0.631 502 A CB -0.679 17.731 19.000 -0.985 0.000 0.814 502 A HN 0.719 nan 8.150 nan 0.000 0.446 503 Q N -0.731 118.932 119.800 -0.227 0.000 2.224 503 Q HA -0.034 4.306 4.340 -0.000 0.000 0.203 503 Q C 2.321 178.263 176.000 -0.095 0.000 0.970 503 Q CA 1.055 56.800 55.803 -0.096 0.000 0.865 503 Q CB -0.334 28.392 28.738 -0.021 0.000 0.922 503 Q HN 0.699 nan 8.270 nan 0.000 0.445 504 A N 1.312 124.032 122.820 -0.166 0.000 1.897 504 A HA -0.017 4.303 4.320 -0.000 0.000 0.215 504 A C 2.324 179.860 177.584 -0.079 0.000 1.181 504 A CA 1.348 53.324 52.037 -0.101 0.000 0.620 504 A CB -0.584 18.337 19.000 -0.132 0.000 0.821 504 A HN 0.364 nan 8.150 nan 0.000 0.443 505 A N -0.260 122.486 122.820 -0.125 0.000 1.877 505 A HA 0.132 4.451 4.320 -0.000 0.000 0.216 505 A C 2.443 179.990 177.584 -0.062 0.000 1.186 505 A CA 1.957 53.930 52.037 -0.106 0.000 0.620 505 A CB -1.499 17.419 19.000 -0.135 0.000 0.822 505 A HN 0.719 nan 8.150 nan 0.000 0.443 506 G N -0.298 108.472 108.800 -0.050 0.000 2.491 506 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.218 506 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.218 506 G C 1.691 176.595 174.900 0.006 0.000 1.180 506 G CA 1.220 46.321 45.100 0.003 0.000 0.774 506 G HN 0.568 nan 8.290 nan 0.000 0.562 507 K N -0.304 120.095 120.400 -0.002 0.000 2.097 507 K HA 0.112 4.432 4.320 -0.000 0.000 0.206 507 K C 2.118 178.724 176.600 0.010 0.000 1.049 507 K CA 0.698 56.988 56.287 0.005 0.000 0.933 507 K CB -0.147 32.356 32.500 0.005 0.000 0.717 507 K HN 0.296 nan 8.250 nan 0.000 0.442 508 L N -1.087 120.139 121.223 0.005 0.000 2.640 508 L HA 0.199 4.539 4.340 -0.000 0.000 0.230 508 L C 1.012 177.900 176.870 0.030 0.000 1.123 508 L CA 0.257 55.106 54.840 0.016 0.000 0.900 508 L CB 0.723 42.788 42.059 0.010 0.000 1.146 508 L HN 0.435 nan 8.230 nan 0.000 0.484 509 G N -0.061 108.755 108.800 0.027 0.000 2.229 509 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.189 509 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.189 509 G C 0.387 175.326 174.900 0.065 0.000 1.000 509 G CA -0.341 44.798 45.100 0.065 0.000 0.663 509 G HN 0.135 nan 8.290 nan 0.000 0.493 510 L N 0.822 122.036 121.223 -0.014 0.000 2.591 510 L HA 0.477 4.817 4.340 -0.000 0.000 0.228 510 L C 1.988 178.830 176.870 -0.048 0.000 1.133 510 L CA 0.812 55.614 54.840 -0.062 0.000 0.880 510 L CB 0.142 42.083 42.059 -0.196 0.000 1.033 510 L HN 0.346 nan 8.230 nan 0.000 0.450 511 L N -1.209 120.004 121.223 -0.018 0.000 2.818 511 L HA 0.252 4.591 4.340 -0.000 0.000 0.243 511 L C -0.029 176.847 176.870 0.010 0.000 1.185 511 L CA -0.149 54.687 54.840 -0.006 0.000 0.988 511 L CB 0.120 42.203 42.059 0.041 0.000 1.292 511 L HN 0.051 nan 8.230 nan 0.000 0.519 512 D N 0.750 121.161 120.400 0.018 0.000 2.329 512 D HA 0.227 4.867 4.640 -0.000 0.000 0.232 512 D C -1.812 174.501 176.300 0.021 0.000 1.088 512 D CA -2.207 51.808 54.000 0.025 0.000 0.835 512 D CB 2.213 43.035 40.800 0.037 0.000 1.078 512 D HN -0.196 nan 8.370 nan 0.000 0.495 513 P HA -0.116 nan 4.420 nan 0.000 0.220 513 P C 0.982 178.293 177.300 0.019 0.000 1.144 513 P CA 1.173 64.279 63.100 0.011 0.000 0.800 513 P CB 0.208 31.921 31.700 0.021 0.000 0.772 514 A N -0.464 122.368 122.820 0.019 0.000 2.042 514 A HA -0.249 4.071 4.320 -0.000 0.000 0.222 514 A C 1.774 179.362 177.584 0.007 0.000 1.167 514 A CA 2.019 54.063 52.037 0.011 0.000 0.649 514 A CB -1.510 17.497 19.000 0.011 0.000 0.809 514 A HN 0.307 nan 8.150 nan 0.000 0.457 515 N N -1.254 117.466 118.700 0.034 0.000 2.214 515 N HA 0.203 4.943 4.740 -0.000 0.000 0.214 515 N C 0.812 176.362 175.510 0.066 0.000 1.132 515 N CA 0.011 53.086 53.050 0.041 0.000 0.856 515 N CB 0.646 39.236 38.487 0.171 0.000 1.020 515 N HN 0.174 nan 8.380 nan 0.000 0.509 516 V N 1.031 120.974 119.914 0.049 0.000 2.720 516 V HA -0.158 3.962 4.120 -0.000 0.000 0.256 516 V C 1.974 178.085 176.094 0.029 0.000 1.082 516 V CA 1.495 63.829 62.300 0.057 0.000 1.101 516 V CB -0.217 31.634 31.823 0.047 0.000 0.693 516 V HN 0.361 nan 8.190 nan 0.000 0.479 517 E N -0.470 119.720 120.200 -0.017 0.000 2.170 517 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 517 E C 2.396 178.936 176.600 -0.101 0.000 0.981 517 E CA 1.360 57.736 56.400 -0.039 0.000 0.830 517 E CB -0.230 29.445 29.700 -0.042 0.000 0.775 517 E HN 0.611 nan 8.360 nan 0.000 0.470 518 T N -1.375 113.052 114.554 -0.212 0.000 3.055 518 T HA -0.065 4.285 4.350 -0.000 0.000 0.265 518 T C 1.231 175.608 174.700 -0.539 0.000 1.111 518 T CA 0.905 62.747 62.100 -0.431 0.000 1.118 518 T CB 0.025 68.554 68.868 -0.566 0.000 0.909 518 T HN 0.181 nan 8.240 nan 0.000 0.501 519 Y N -0.493 119.804 120.300 -0.004 0.000 2.701 519 Y HA 0.390 4.939 4.550 -0.000 0.000 0.275 519 Y C 1.440 177.338 175.900 -0.004 0.000 1.133 519 Y CA -0.974 57.121 58.100 -0.008 0.000 1.241 519 Y CB 0.490 38.940 38.460 -0.015 0.000 1.389 519 Y HN 0.140 nan 8.280 nan 0.000 0.486 520 C N 2.581 121.966 119.300 0.142 0.000 2.576 520 C HA 0.505 4.964 4.460 -0.000 0.000 0.401 520 C C 1.399 176.432 174.990 0.071 0.000 1.314 520 C CA -0.969 58.108 59.018 0.100 0.000 1.855 520 C CB -0.596 27.203 27.740 0.098 0.000 2.537 520 C HN 0.534 nan 8.230 nan 0.000 0.578 521 G N 2.525 111.361 108.800 0.061 0.000 2.716 521 G HA2 0.102 4.062 3.960 -0.000 0.000 0.251 521 G HA3 0.102 4.062 3.960 -0.000 0.000 0.251 521 G C 0.507 175.441 174.900 0.056 0.000 1.224 521 G CA -0.115 45.013 45.100 0.047 0.000 0.891 521 G HN 0.777 nan 8.290 nan 0.000 0.561 522 D N 0.134 120.563 120.400 0.047 0.000 2.224 522 D HA -0.055 4.584 4.640 -0.000 0.000 0.205 522 D C 2.521 178.863 176.300 0.070 0.000 0.965 522 D CA 1.288 55.319 54.000 0.052 0.000 0.852 522 D CB -0.412 40.411 40.800 0.039 0.000 0.947 522 D HN 0.434 nan 8.370 nan 0.000 0.494 523 G N 0.878 109.718 108.800 0.068 0.000 2.421 523 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 523 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 523 G C 1.554 176.535 174.900 0.136 0.000 1.171 523 G CA 0.561 45.710 45.100 0.082 0.000 0.775 523 G HN 0.264 nan 8.290 nan 0.000 0.543 524 L N 0.550 121.851 121.223 0.130 0.000 2.095 524 L HA 0.263 4.602 4.340 -0.000 0.000 0.204 524 L C 2.610 179.620 176.870 0.233 0.000 1.080 524 L CA 2.236 57.195 54.840 0.198 0.000 0.759 524 L CB -0.563 41.577 42.059 0.136 0.000 0.914 524 L HN 0.239 nan 8.230 nan 0.000 0.439 525 K N -0.679 119.810 120.400 0.149 0.000 2.063 525 K HA -0.136 4.184 4.320 -0.000 0.000 0.208 525 K C 1.961 178.631 176.600 0.117 0.000 1.048 525 K CA 1.511 57.869 56.287 0.119 0.000 0.928 525 K CB -0.633 31.914 32.500 0.078 0.000 0.713 525 K HN 0.480 nan 8.250 nan 0.000 0.442 526 G N 0.699 109.571 108.800 0.120 0.000 2.433 526 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.216 526 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.216 526 G C 1.324 176.300 174.900 0.127 0.000 1.186 526 G CA 0.777 45.941 45.100 0.106 0.000 0.779 526 G HN 0.406 nan 8.290 nan 0.000 0.543 527 F N 1.385 121.369 119.950 0.056 0.000 2.063 527 F HA -0.139 4.388 4.527 -0.000 0.000 0.298 527 F C 2.489 178.342 175.800 0.088 0.000 1.109 527 F CA 1.613 59.651 58.000 0.063 0.000 1.212 527 F CB -0.288 38.755 39.000 0.071 0.000 0.973 527 F HN 0.058 nan 8.300 nan 0.000 0.480 528 L N -0.099 121.181 121.223 0.096 0.000 2.093 528 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 528 L C 2.494 179.355 176.870 -0.016 0.000 1.085 528 L CA 1.505 56.374 54.840 0.050 0.000 0.755 528 L CB -0.715 41.458 42.059 0.190 0.000 0.904 528 L HN 0.114 nan 8.230 nan 0.000 0.435 529 K N -0.171 120.232 120.400 0.005 0.000 2.057 529 K HA -0.201 4.119 4.320 -0.000 0.000 0.207 529 K C 2.234 178.812 176.600 -0.036 0.000 1.049 529 K CA 1.158 57.445 56.287 -0.001 0.000 0.931 529 K CB -0.176 32.333 32.500 0.016 0.000 0.714 529 K HN 0.176 nan 8.250 nan 0.000 0.440 530 R N 1.270 121.726 120.500 -0.073 0.000 2.080 530 R HA -0.107 4.232 4.340 -0.000 0.000 0.236 530 R C 2.403 178.625 176.300 -0.130 0.000 1.137 530 R CA 1.272 57.314 56.100 -0.096 0.000 0.943 530 R CB -0.341 29.887 30.300 -0.121 0.000 0.846 530 R HN 0.135 nan 8.270 nan 0.000 0.431 531 L N -0.504 120.572 121.223 -0.244 0.000 1.989 531 L HA -0.167 4.173 4.340 -0.000 0.000 0.211 531 L C 2.483 179.317 176.870 -0.061 0.000 1.071 531 L CA 1.748 56.466 54.840 -0.203 0.000 0.749 531 L CB -0.867 41.002 42.059 -0.317 0.000 0.890 531 L HN 0.535 nan 8.230 nan 0.000 0.431 532 G N -0.854 107.929 108.800 -0.029 0.000 2.442 532 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.219 532 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.219 532 G C 1.402 176.319 174.900 0.028 0.000 1.141 532 G CA 0.777 45.897 45.100 0.033 0.000 0.763 532 G HN 0.453 nan 8.290 nan 0.000 0.554 533 E N -0.224 119.979 120.200 0.006 0.000 2.122 533 E HA 0.066 4.415 4.350 -0.000 0.000 0.190 533 E C 2.716 179.321 176.600 0.008 0.000 0.977 533 E CA 0.377 56.783 56.400 0.009 0.000 0.820 533 E CB -0.127 29.575 29.700 0.003 0.000 0.770 533 E HN 0.374 nan 8.360 nan 0.000 0.462 534 G N 0.845 109.643 108.800 -0.003 0.000 2.534 534 G HA2 -0.120 3.839 3.960 -0.000 0.000 0.217 534 G HA3 -0.120 3.839 3.960 -0.000 0.000 0.217 534 G C 1.350 176.259 174.900 0.014 0.000 1.128 534 G CA 0.646 45.745 45.100 -0.001 0.000 0.784 534 G HN 0.281 nan 8.290 nan 0.000 0.542 535 A N 0.539 123.374 122.820 0.026 0.000 2.348 535 A HA 0.278 4.597 4.320 -0.000 0.000 0.224 535 A C 0.993 178.606 177.584 0.049 0.000 1.227 535 A CA 0.250 52.315 52.037 0.046 0.000 0.885 535 A CB -0.118 18.927 19.000 0.074 0.000 0.933 535 A HN 0.264 nan 8.150 nan 0.000 0.506 536 N N -0.636 118.086 118.700 0.038 0.000 2.725 536 N HA -0.166 4.573 4.740 -0.000 0.000 0.251 536 N C -0.716 174.821 175.510 0.045 0.000 1.031 536 N CA 0.850 53.921 53.050 0.035 0.000 0.720 536 N CB -1.759 36.745 38.487 0.028 0.000 0.930 536 N HN 0.445 nan 8.380 nan 0.000 0.543 537 I N 1.576 122.180 120.570 0.058 0.000 2.260 537 I HA -0.016 4.154 4.170 -0.000 0.000 0.297 537 I C 1.940 178.089 176.117 0.054 0.000 1.143 537 I CA -0.252 61.092 61.300 0.072 0.000 1.271 537 I CB 0.328 38.398 38.000 0.117 0.000 1.461 537 I HN 0.139 nan 8.210 nan 0.000 0.530 538 E N 6.399 126.624 120.200 0.041 0.000 2.086 538 E HA -0.292 4.058 4.350 -0.000 0.000 0.205 538 E C 1.790 178.408 176.600 0.030 0.000 1.027 538 E CA 1.993 58.411 56.400 0.030 0.000 0.830 538 E CB -0.456 29.257 29.700 0.022 0.000 0.751 538 E HN 0.811 nan 8.360 nan 0.000 0.456 539 I N -1.635 118.955 120.570 0.035 0.000 3.428 539 I HA 0.273 4.442 4.170 -0.000 0.000 0.286 539 I C 1.070 177.211 176.117 0.040 0.000 1.287 539 I CA 0.544 61.864 61.300 0.032 0.000 1.396 539 I CB -0.121 37.896 38.000 0.028 0.000 1.062 539 I HN 0.216 nan 8.210 nan 0.000 0.471 540 G N 1.636 110.469 108.800 0.055 0.000 2.728 540 G HA2 -0.149 3.810 3.960 -0.000 0.000 0.294 540 G HA3 -0.149 3.810 3.960 -0.000 0.000 0.294 540 G C -0.819 174.130 174.900 0.081 0.000 1.342 540 G CA -0.349 44.788 45.100 0.062 0.000 0.866 540 G HN 0.312 nan 8.290 nan 0.000 0.534 541 L N 1.799 123.062 121.223 0.068 0.000 2.344 541 L HA 0.586 4.926 4.340 -0.000 0.000 0.272 541 L C -1.511 175.302 176.870 -0.095 0.000 1.035 541 L CA -2.007 52.852 54.840 0.033 0.000 0.807 541 L CB 2.067 44.194 42.059 0.113 0.000 1.237 541 L HN 0.541 nan 8.230 nan 0.000 0.442 542 P HA 0.223 nan 4.420 nan 0.000 0.276 542 P C -2.451 174.663 177.300 -0.311 0.000 1.252 542 P CA -1.655 61.281 63.100 -0.274 0.000 0.802 542 P CB 0.489 32.012 31.700 -0.295 0.000 1.035 543 P HA -0.059 nan 4.420 nan 0.000 0.216 543 P C 0.244 177.457 177.300 -0.145 0.000 1.153 543 P CA 1.201 64.258 63.100 -0.072 0.000 0.848 543 P CB 0.110 31.820 31.700 0.017 0.000 0.787 544 V N 0.175 119.969 119.914 -0.199 0.000 2.495 544 V HA 0.294 4.413 4.120 -0.000 0.000 0.298 544 V C -0.451 175.517 176.094 -0.210 0.000 1.031 544 V CA -0.655 61.553 62.300 -0.153 0.000 0.871 544 V CB 1.251 33.000 31.823 -0.123 0.000 0.988 544 V HN -0.202 nan 8.190 nan 0.000 0.432 545 F N 3.621 123.408 119.950 -0.271 0.000 2.350 545 F HA 0.349 4.876 4.527 -0.000 0.000 0.365 545 F C 0.627 176.513 175.800 0.144 0.000 1.122 545 F CA -0.607 57.263 58.000 -0.217 0.000 1.139 545 F CB 0.314 38.999 39.000 -0.525 0.000 1.220 545 F HN 0.501 nan 8.300 nan 0.000 0.499 546 H N 5.368 124.659 119.070 0.367 0.000 3.160 546 H HA 0.149 4.705 4.556 -0.000 0.000 0.257 546 H C 0.618 176.181 175.328 0.392 0.000 1.140 546 H CA 0.163 56.398 56.048 0.312 0.000 1.492 546 H CB 0.519 30.409 29.762 0.214 0.000 1.529 546 H HN 0.695 nan 8.280 nan 0.000 0.490 547 M N 3.192 123.150 119.600 0.597 0.000 2.495 547 M HA 0.156 4.636 4.480 -0.000 0.000 0.237 547 M C 1.028 177.541 176.300 0.355 0.000 1.131 547 M CA 0.683 56.251 55.300 0.447 0.000 1.032 547 M CB 0.541 33.370 32.600 0.381 0.000 1.513 547 M HN 0.815 nan 8.290 nan 0.000 0.488 548 G N 0.163 109.237 108.800 0.457 0.000 2.255 548 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.216 548 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.216 548 G C -0.605 174.508 174.900 0.354 0.000 1.307 548 G CA -0.301 44.953 45.100 0.258 0.000 1.162 548 G HN 0.378 nan 8.290 nan 0.000 0.494 549 S N -0.844 114.997 115.700 0.236 0.000 2.655 549 S HA 0.424 4.894 4.470 -0.000 0.000 0.265 549 S C 1.643 176.381 174.600 0.231 0.000 1.240 549 S CA 0.465 58.804 58.200 0.232 0.000 0.986 549 S CB 1.002 64.329 63.200 0.211 0.000 0.985 549 S HN 1.414 nan 8.310 nan 0.000 0.562 550 C N 0.515 119.970 119.300 0.258 0.000 2.391 550 C HA -0.131 4.328 4.460 -0.000 0.000 0.276 550 C C 2.878 177.971 174.990 0.171 0.000 1.217 550 C CA 1.101 60.276 59.018 0.262 0.000 1.766 550 C CB -1.898 26.053 27.740 0.352 0.000 2.046 550 C HN 0.855 nan 8.230 nan 0.000 0.475 551 V N -0.411 119.553 119.914 0.083 0.000 2.720 551 V HA -0.116 4.004 4.120 -0.000 0.000 0.256 551 V C 1.389 177.459 176.094 -0.040 0.000 1.082 551 V CA 2.421 64.650 62.300 -0.118 0.000 1.101 551 V CB -0.806 30.842 31.823 -0.292 0.000 0.693 551 V HN 0.366 nan 8.190 nan 0.000 0.479 552 D N 0.895 121.337 120.400 0.070 0.000 2.363 552 D HA -0.006 4.633 4.640 -0.000 0.000 0.226 552 D C 1.787 178.201 176.300 0.189 0.000 1.020 552 D CA 0.346 54.406 54.000 0.100 0.000 0.892 552 D CB -0.482 40.404 40.800 0.143 0.000 0.900 552 D HN 0.474 nan 8.370 nan 0.000 0.531 553 N N 0.334 119.184 118.700 0.251 0.000 2.258 553 N HA -0.166 4.574 4.740 -0.000 0.000 0.187 553 N C 1.750 177.500 175.510 0.400 0.000 1.012 553 N CA 1.134 54.440 53.050 0.427 0.000 0.870 553 N CB -0.140 38.654 38.487 0.512 0.000 0.977 553 N HN 0.262 nan 8.380 nan 0.000 0.434 554 S N 0.817 116.598 115.700 0.137 0.000 2.419 554 S HA -0.038 4.431 4.470 -0.000 0.000 0.233 554 S C 1.824 176.417 174.600 -0.012 0.000 1.016 554 S CA 0.448 58.629 58.200 -0.031 0.000 0.974 554 S CB -0.159 62.764 63.200 -0.461 0.000 0.786 554 S HN 0.291 nan 8.310 nan 0.000 0.492 555 R N 1.440 121.964 120.500 0.039 0.000 2.096 555 R HA 0.077 4.417 4.340 -0.000 0.000 0.235 555 R C 2.730 179.179 176.300 0.248 0.000 1.127 555 R CA 1.308 57.480 56.100 0.121 0.000 0.968 555 R CB -0.758 29.638 30.300 0.159 0.000 0.861 555 R HN 0.583 nan 8.270 nan 0.000 0.440 556 A N 0.725 123.769 122.820 0.374 0.000 1.930 556 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 556 A C 2.342 180.283 177.584 0.594 0.000 1.175 556 A CA 1.046 53.420 52.037 0.562 0.000 0.627 556 A CB -0.338 19.098 19.000 0.728 0.000 0.815 556 A HN 0.099 nan 8.150 nan 0.000 0.443 557 V N 0.737 120.933 119.914 0.470 0.000 2.343 557 V HA -0.235 3.884 4.120 -0.000 0.000 0.247 557 V C 2.108 178.284 176.094 0.136 0.000 1.051 557 V CA 2.245 64.670 62.300 0.208 0.000 1.036 557 V CB -0.737 31.081 31.823 -0.008 0.000 0.654 557 V HN 0.513 nan 8.190 nan 0.000 0.451 558 D N -0.119 120.392 120.400 0.185 0.000 2.144 558 D HA -0.153 4.487 4.640 -0.000 0.000 0.199 558 D C 2.003 178.371 176.300 0.113 0.000 0.984 558 D CA 1.185 55.277 54.000 0.154 0.000 0.834 558 D CB -0.235 40.670 40.800 0.174 0.000 0.955 558 D HN 0.363 nan 8.370 nan 0.000 0.465 559 L N 1.046 122.363 121.223 0.156 0.000 1.970 559 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 559 L C 2.257 179.175 176.870 0.079 0.000 1.071 559 L CA 1.419 56.352 54.840 0.155 0.000 0.751 559 L CB -0.955 41.263 42.059 0.264 0.000 0.889 559 L HN 0.022 nan 8.230 nan 0.000 0.432 560 L N -0.778 120.419 121.223 -0.044 0.000 2.051 560 L HA -0.263 4.077 4.340 -0.000 0.000 0.214 560 L C 2.297 179.085 176.870 -0.137 0.000 1.076 560 L CA 2.181 56.834 54.840 -0.311 0.000 0.758 560 L CB -0.605 41.019 42.059 -0.724 0.000 0.890 560 L HN 0.340 nan 8.230 nan 0.000 0.433 561 M N -0.728 118.830 119.600 -0.071 0.000 2.254 561 M HA -0.039 4.441 4.480 -0.000 0.000 0.265 561 M C 2.412 178.696 176.300 -0.027 0.000 1.066 561 M CA 1.567 56.835 55.300 -0.052 0.000 1.123 561 M CB -1.606 30.974 32.600 -0.034 0.000 1.388 561 M HN 0.493 nan 8.290 nan 0.000 0.425 562 A N 0.013 122.832 122.820 -0.001 0.000 1.930 562 A HA -0.117 4.202 4.320 -0.000 0.000 0.217 562 A C 2.250 179.832 177.584 -0.002 0.000 1.175 562 A CA 1.299 53.339 52.037 0.006 0.000 0.627 562 A CB -0.482 18.534 19.000 0.026 0.000 0.815 562 A HN 0.429 nan 8.150 nan 0.000 0.443 563 M N -0.496 119.103 119.600 -0.001 0.000 2.067 563 M HA -0.131 4.348 4.480 -0.000 0.000 0.260 563 M C 2.590 178.883 176.300 -0.012 0.000 1.069 563 M CA 1.536 56.835 55.300 -0.002 0.000 1.117 563 M CB -0.451 32.162 32.600 0.022 0.000 1.334 563 M HN 0.454 nan 8.290 nan 0.000 0.407 564 A N 0.722 123.527 122.820 -0.026 0.000 1.892 564 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 564 A C 1.824 179.393 177.584 -0.025 0.000 1.188 564 A CA 2.526 54.545 52.037 -0.031 0.000 0.631 564 A CB -1.281 17.685 19.000 -0.056 0.000 0.822 564 A HN 0.606 nan 8.150 nan 0.000 0.447 565 N N -0.059 118.625 118.700 -0.027 0.000 2.104 565 N HA -0.211 4.529 4.740 -0.000 0.000 0.190 565 N C 1.445 176.946 175.510 -0.015 0.000 1.024 565 N CA 2.151 55.187 53.050 -0.023 0.000 0.853 565 N CB -0.373 38.101 38.487 -0.022 0.000 1.008 565 N HN 0.522 nan 8.380 nan 0.000 0.424 566 D N -0.524 119.868 120.400 -0.012 0.000 2.123 566 D HA -0.036 4.604 4.640 -0.000 0.000 0.200 566 D C 1.808 178.104 176.300 -0.008 0.000 0.976 566 D CA 0.803 54.798 54.000 -0.009 0.000 0.831 566 D CB -0.122 40.674 40.800 -0.008 0.000 0.974 566 D HN 0.353 nan 8.370 nan 0.000 0.469 567 L N -0.462 120.757 121.223 -0.007 0.000 2.456 567 L HA 0.127 4.467 4.340 -0.000 0.000 0.224 567 L C 1.584 178.453 176.870 -0.001 0.000 1.148 567 L CA 0.589 55.427 54.840 -0.003 0.000 0.825 567 L CB -0.548 41.511 42.059 -0.000 0.000 0.937 567 L HN 0.306 nan 8.230 nan 0.000 0.450 568 G N 0.929 109.726 108.800 -0.006 0.000 2.221 568 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.265 568 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.265 568 G C 0.072 174.971 174.900 -0.001 0.000 1.041 568 G CA 0.380 45.477 45.100 -0.006 0.000 0.807 568 G HN 0.353 nan 8.290 nan 0.000 0.502 569 V N -3.818 116.095 119.914 -0.002 0.000 3.040 569 V HA 0.852 4.972 4.120 -0.000 0.000 0.312 569 V C 0.146 176.234 176.094 -0.009 0.000 1.115 569 V CA -1.273 61.032 62.300 0.008 0.000 0.998 569 V CB 2.146 33.984 31.823 0.025 0.000 1.042 569 V HN 0.146 nan 8.190 nan 0.000 0.433 570 D N 1.851 122.253 120.400 0.003 0.000 2.382 570 D HA 0.179 4.819 4.640 -0.000 0.000 0.240 570 D C 1.681 177.942 176.300 -0.064 0.000 1.146 570 D CA 0.878 54.858 54.000 -0.033 0.000 0.897 570 D CB 1.984 42.785 40.800 0.002 0.000 1.197 570 D HN 1.031 nan 8.370 nan 0.000 0.432 571 T N 0.099 114.587 114.554 -0.109 0.000 2.760 571 T HA -0.124 4.226 4.350 -0.000 0.000 0.269 571 T C -1.103 173.519 174.700 -0.129 0.000 1.047 571 T CA 0.752 62.781 62.100 -0.117 0.000 1.139 571 T CB -1.104 67.684 68.868 -0.133 0.000 0.855 571 T HN 0.344 nan 8.240 nan 0.000 0.471 572 P HA 0.060 nan 4.420 nan 0.000 0.231 572 P C 0.936 178.190 177.300 -0.078 0.000 1.158 572 P CA 0.916 63.852 63.100 -0.273 0.000 0.763 572 P CB -0.140 31.061 31.700 -0.831 0.000 0.805 573 K N -1.269 119.118 120.400 -0.022 0.000 2.358 573 K HA 0.148 4.467 4.320 -0.000 0.000 0.197 573 K C 0.010 176.639 176.600 0.048 0.000 1.025 573 K CA 0.016 56.334 56.287 0.052 0.000 1.104 573 K CB 0.617 33.162 32.500 0.075 0.000 0.855 573 K HN -0.013 nan 8.250 nan 0.000 0.531 574 V N 3.935 123.871 119.914 0.035 0.000 2.488 574 V HA 0.099 4.219 4.120 -0.000 0.000 0.277 574 V C -2.325 173.835 176.094 0.110 0.000 1.046 574 V CA -1.738 60.599 62.300 0.060 0.000 0.986 574 V CB 0.638 32.485 31.823 0.040 0.000 0.989 574 V HN 0.023 nan 8.190 nan 0.000 0.475 575 P HA 0.255 nan 4.420 nan 0.000 0.256 575 P C -0.877 176.495 177.300 0.121 0.000 1.688 575 P CA 0.379 63.540 63.100 0.101 0.000 1.162 575 P CB -0.473 31.265 31.700 0.062 0.000 1.870 576 F N 2.772 122.695 119.950 -0.045 0.000 2.574 576 F HA 0.541 5.068 4.527 -0.000 0.000 0.313 576 F C -1.538 174.173 175.800 -0.149 0.000 1.130 576 F CA -0.939 57.007 58.000 -0.090 0.000 0.936 576 F CB 1.646 40.603 39.000 -0.073 0.000 1.219 576 F HN -0.196 nan 8.300 nan 0.000 0.445 577 V N 4.757 124.495 119.914 -0.292 0.000 2.789 577 V HA 0.849 4.969 4.120 -0.000 0.000 0.311 577 V C -0.592 175.212 176.094 -0.483 0.000 1.073 577 V CA -0.655 61.492 62.300 -0.254 0.000 0.921 577 V CB 1.797 33.496 31.823 -0.207 0.000 1.009 577 V HN 0.965 nan 8.190 nan 0.000 0.426 578 A N 2.543 125.074 122.820 -0.482 0.000 2.324 578 A HA 0.891 5.210 4.320 -0.000 0.000 0.330 578 A C -0.267 177.111 177.584 -0.344 0.000 1.165 578 A CA -0.473 51.176 52.037 -0.647 0.000 0.813 578 A CB 1.674 19.878 19.000 -1.328 0.000 1.197 578 A HN 0.839 nan 8.150 nan 0.000 0.484 579 S N 0.284 115.853 115.700 -0.218 0.000 2.557 579 S HA 0.674 5.144 4.470 -0.000 0.000 0.291 579 S C -0.698 173.894 174.600 -0.015 0.000 1.116 579 S CA 0.144 58.328 58.200 -0.027 0.000 0.992 579 S CB 1.284 64.529 63.200 0.076 0.000 1.028 579 S HN 1.858 nan 8.310 nan 0.000 0.484 580 A N 6.229 129.010 122.820 -0.066 0.000 2.709 580 A HA 0.633 4.953 4.320 -0.000 0.000 0.332 580 A C -2.405 175.116 177.584 -0.105 0.000 1.241 580 A CA -1.452 50.571 52.037 -0.024 0.000 0.782 580 A CB 0.669 19.671 19.000 0.004 0.000 1.109 580 A HN 0.616 nan 8.150 nan 0.000 0.472 581 P HA -0.062 nan 4.420 nan 0.000 0.221 581 P C 0.290 177.492 177.300 -0.163 0.000 1.150 581 P CA 1.310 64.369 63.100 -0.068 0.000 0.800 581 P CB 0.311 31.962 31.700 -0.082 0.000 0.787 582 E N -1.027 119.037 120.200 -0.228 0.000 3.575 582 E HA 0.395 4.744 4.350 -0.000 0.000 0.201 582 E C -0.347 176.235 176.600 -0.030 0.000 0.999 582 E CA -0.545 55.772 56.400 -0.140 0.000 1.315 582 E CB 0.521 30.098 29.700 -0.206 0.000 1.146 582 E HN 0.025 nan 8.360 nan 0.000 0.453 583 A N 1.172 123.977 122.820 -0.024 0.000 2.540 583 A HA 0.153 4.473 4.320 -0.000 0.000 0.239 583 A C 0.665 178.241 177.584 -0.013 0.000 1.061 583 A CA 0.599 52.632 52.037 -0.007 0.000 0.758 583 A CB 0.375 19.369 19.000 -0.009 0.000 0.991 583 A HN 0.552 nan 8.150 nan 0.000 0.502 584 M N 1.972 121.550 119.600 -0.037 0.000 2.069 584 M HA 0.089 4.569 4.480 -0.000 0.000 0.208 584 M C 0.878 177.134 176.300 -0.074 0.000 1.459 584 M CA 0.714 55.983 55.300 -0.052 0.000 0.992 584 M CB 0.138 32.688 32.600 -0.085 0.000 1.566 584 M HN 0.858 nan 8.290 nan 0.000 0.571 585 S N 0.148 115.781 115.700 -0.111 0.000 2.603 585 S HA 0.377 4.847 4.470 -0.000 0.000 0.268 585 S C 1.168 175.730 174.600 -0.064 0.000 1.317 585 S CA -0.107 58.024 58.200 -0.114 0.000 1.012 585 S CB 0.882 63.994 63.200 -0.147 0.000 0.926 585 S HN 0.489 nan 8.310 nan 0.000 0.539 586 G N 1.015 109.780 108.800 -0.059 0.000 2.475 586 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.220 586 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.220 586 G C 1.297 176.176 174.900 -0.034 0.000 1.125 586 G CA 0.721 45.798 45.100 -0.038 0.000 0.755 586 G HN 0.770 nan 8.290 nan 0.000 0.565 587 K N 0.387 120.743 120.400 -0.073 0.000 2.063 587 K HA -0.017 4.303 4.320 -0.000 0.000 0.208 587 K C 2.938 179.567 176.600 0.048 0.000 1.048 587 K CA 1.085 57.337 56.287 -0.059 0.000 0.928 587 K CB -0.199 32.194 32.500 -0.179 0.000 0.713 587 K HN 0.298 nan 8.250 nan 0.000 0.442 588 A N 1.300 124.131 122.820 0.018 0.000 1.929 588 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 588 A C 2.336 179.932 177.584 0.020 0.000 1.176 588 A CA 1.547 53.600 52.037 0.027 0.000 0.628 588 A CB -0.573 18.437 19.000 0.017 0.000 0.816 588 A HN 0.321 nan 8.150 nan 0.000 0.444 589 A N 0.274 123.103 122.820 0.014 0.000 1.873 589 A HA 0.021 4.341 4.320 -0.000 0.000 0.218 589 A C 2.546 180.161 177.584 0.051 0.000 1.193 589 A CA 2.588 54.642 52.037 0.028 0.000 0.629 589 A CB -1.222 17.781 19.000 0.006 0.000 0.826 589 A HN 1.129 nan 8.150 nan 0.000 0.447 590 A N -0.389 122.459 122.820 0.047 0.000 1.883 590 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 590 A C 2.170 179.704 177.584 -0.084 0.000 1.186 590 A CA 1.703 53.785 52.037 0.074 0.000 0.624 590 A CB -0.655 18.440 19.000 0.158 0.000 0.822 590 A HN 0.516 nan 8.150 nan 0.000 0.444 591 I N -0.390 120.047 120.570 -0.221 0.000 2.226 591 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 591 I C 2.705 178.341 176.117 -0.802 0.000 1.100 591 I CA 1.126 61.898 61.300 -0.880 0.000 1.374 591 I CB -0.566 37.173 38.000 -0.436 0.000 1.057 591 I HN 0.397 nan 8.210 nan 0.000 0.413 592 G N -0.015 108.675 108.800 -0.184 0.000 2.442 592 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.219 592 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.219 592 G C 1.651 176.556 174.900 0.008 0.000 1.141 592 G CA 1.474 46.618 45.100 0.073 0.000 0.763 592 G HN 0.300 nan 8.290 nan 0.000 0.554 593 T N 0.758 115.372 114.554 0.100 0.000 2.821 593 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 593 T C 2.032 176.702 174.700 -0.049 0.000 1.046 593 T CA 1.359 63.514 62.100 0.091 0.000 1.139 593 T CB -0.317 68.647 68.868 0.160 0.000 0.871 593 T HN 0.802 nan 8.240 nan 0.000 0.454 594 W N -0.565 120.651 121.300 -0.140 0.000 2.518 594 W HA 0.047 4.706 4.660 -0.000 0.000 0.273 594 W C 1.606 177.955 176.519 -0.284 0.000 1.247 594 W CA -0.334 56.843 57.345 -0.279 0.000 1.288 594 W CB -1.022 28.243 29.460 -0.324 0.000 1.107 594 W HN 0.271 nan 8.180 nan 0.000 0.586 595 W N 1.625 122.852 121.300 -0.123 0.000 2.358 595 W HA -0.180 4.479 4.660 -0.000 0.000 0.303 595 W C 2.670 179.078 176.519 -0.185 0.000 1.208 595 W CA 1.416 58.691 57.345 -0.116 0.000 1.274 595 W CB -0.826 28.468 29.460 -0.277 0.000 1.138 595 W HN -0.343 nan 8.180 nan 0.000 0.515 596 V N -0.100 119.752 119.914 -0.102 0.000 2.287 596 V HA -0.350 3.770 4.120 -0.000 0.000 0.248 596 V C 2.126 178.146 176.094 -0.124 0.000 1.053 596 V CA 2.287 64.429 62.300 -0.263 0.000 1.027 596 V CB -1.212 30.267 31.823 -0.573 0.000 0.646 596 V HN 0.105 nan 8.190 nan 0.000 0.447 597 S N -0.111 115.487 115.700 -0.170 0.000 2.382 597 S HA -0.085 4.384 4.470 -0.000 0.000 0.228 597 S C 1.719 176.412 174.600 0.154 0.000 1.027 597 S CA 1.337 59.405 58.200 -0.220 0.000 0.991 597 S CB -0.330 62.630 63.200 -0.399 0.000 0.823 597 S HN 0.487 nan 8.310 nan 0.000 0.469 598 L N 0.640 121.945 121.223 0.135 0.000 2.610 598 L HA 0.167 4.507 4.340 -0.000 0.000 0.232 598 L C 1.512 178.410 176.870 0.047 0.000 1.149 598 L CA 0.416 55.330 54.840 0.123 0.000 0.872 598 L CB -0.360 41.719 42.059 0.033 0.000 0.992 598 L HN 0.541 nan 8.230 nan 0.000 0.447 599 G N -0.215 108.607 108.800 0.037 0.000 2.135 599 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.183 599 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.183 599 G C -0.142 174.729 174.900 -0.048 0.000 1.004 599 G CA -0.276 44.793 45.100 -0.052 0.000 0.677 599 G HN 0.055 nan 8.290 nan 0.000 0.512 600 V N 1.108 121.018 119.914 -0.006 0.000 2.513 600 V HA 0.559 4.679 4.120 -0.000 0.000 0.299 600 V C -1.955 174.002 176.094 -0.228 0.000 1.035 600 V CA -1.969 60.309 62.300 -0.036 0.000 0.889 600 V CB 2.092 33.964 31.823 0.082 0.000 0.988 600 V HN 0.083 nan 8.190 nan 0.000 0.440 601 P HA 0.195 nan 4.420 nan 0.000 0.267 601 P C -0.589 176.405 177.300 -0.510 0.000 1.205 601 P CA 0.217 62.864 63.100 -0.755 0.000 0.765 601 P CB 0.282 31.692 31.700 -0.484 0.000 0.828 602 T N 2.890 117.105 114.554 -0.564 0.000 2.930 602 T HA 0.163 4.512 4.350 -0.000 0.000 0.313 602 T C -0.587 173.993 174.700 -0.200 0.000 1.019 602 T CA -0.424 61.453 62.100 -0.372 0.000 1.004 602 T CB -0.021 68.572 68.868 -0.459 0.000 0.987 602 T HN 0.441 nan 8.240 nan 0.000 0.456 603 H N 3.300 122.264 119.070 -0.176 0.000 2.683 603 H HA 0.512 5.068 4.556 -0.000 0.000 0.339 603 H C -1.185 174.162 175.328 0.031 0.000 1.081 603 H CA -0.139 55.867 56.048 -0.071 0.000 1.432 603 H CB 0.728 30.436 29.762 -0.091 0.000 1.462 603 H HN 0.287 nan 8.280 nan 0.000 0.557 604 V N 4.446 124.034 119.914 -0.543 0.000 2.531 604 V HA 0.221 4.341 4.120 -0.000 0.000 0.301 604 V C 1.003 176.821 176.094 -0.459 0.000 1.034 604 V CA -0.148 61.920 62.300 -0.387 0.000 0.865 604 V CB 1.726 33.610 31.823 0.101 0.000 0.995 604 V HN 1.005 nan 8.190 nan 0.000 0.424 605 G N 2.567 111.133 108.800 -0.390 0.000 3.284 605 G HA2 0.342 4.302 3.960 -0.000 0.000 0.236 605 G HA3 0.342 4.302 3.960 -0.000 0.000 0.236 605 G C 0.444 175.354 174.900 0.017 0.000 1.158 605 G CA 0.669 45.727 45.100 -0.069 0.000 0.774 605 G HN 0.748 nan 8.290 nan 0.000 0.545 606 T N -3.204 111.349 114.554 -0.000 0.000 2.896 606 T HA 0.632 4.982 4.350 -0.000 0.000 0.297 606 T C -0.738 173.941 174.700 -0.034 0.000 1.108 606 T CA -0.945 61.171 62.100 0.026 0.000 1.004 606 T CB 2.363 71.245 68.868 0.022 0.000 1.159 606 T HN -0.108 nan 8.240 nan 0.000 0.499 607 M N 3.075 122.630 119.600 -0.076 0.000 2.108 607 M HA 0.494 4.973 4.480 -0.000 0.000 0.354 607 M C -2.506 173.531 176.300 -0.437 0.000 1.229 607 M CA -2.217 52.873 55.300 -0.350 0.000 1.081 607 M CB 0.499 32.901 32.600 -0.331 0.000 1.606 607 M HN 0.442 nan 8.290 nan 0.000 0.467 608 P HA 0.281 nan 4.420 nan 0.000 0.273 608 P C -2.672 174.372 177.300 -0.427 0.000 1.250 608 P CA -1.126 61.740 63.100 -0.389 0.000 0.793 608 P CB -0.522 30.962 31.700 -0.359 0.000 1.011 609 P HA 0.020 nan 4.420 nan 0.000 0.237 609 P C 0.387 177.584 177.300 -0.172 0.000 1.788 609 P CA 0.091 63.043 63.100 -0.246 0.000 1.061 609 P CB -0.342 31.282 31.700 -0.126 0.000 1.967 610 V N -0.931 118.862 119.914 -0.202 0.000 3.497 610 V HA 0.220 4.340 4.120 -0.000 0.000 0.272 610 V C 1.641 177.765 176.094 0.050 0.000 1.474 610 V CA 0.305 62.565 62.300 -0.066 0.000 1.025 610 V CB -0.444 31.321 31.823 -0.097 0.000 0.820 610 V HN 0.034 nan 8.190 nan 0.000 0.437 611 E N 2.049 122.238 120.200 -0.019 0.000 2.347 611 E HA 0.038 4.387 4.350 -0.000 0.000 0.196 611 E C 2.101 178.701 176.600 -0.001 0.000 1.008 611 E CA 0.985 57.386 56.400 0.001 0.000 0.852 611 E CB -0.187 29.460 29.700 -0.087 0.000 0.783 611 E HN 0.737 nan 8.360 nan 0.000 0.505 612 G N 0.694 109.497 108.800 0.005 0.000 2.559 612 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.216 612 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.216 612 G C 0.639 175.569 174.900 0.049 0.000 1.126 612 G CA 0.345 45.455 45.100 0.017 0.000 0.778 612 G HN 0.137 nan 8.290 nan 0.000 0.543 613 S N -0.190 115.567 115.700 0.096 0.000 2.707 613 S HA 0.359 4.829 4.470 -0.000 0.000 0.312 613 S C 0.421 175.137 174.600 0.193 0.000 1.116 613 S CA -0.702 57.591 58.200 0.155 0.000 1.078 613 S CB 1.160 64.485 63.200 0.207 0.000 0.997 613 S HN 0.063 nan 8.310 nan 0.000 0.477 614 D N 3.734 124.232 120.400 0.164 0.000 2.149 614 D HA -0.115 4.524 4.640 -0.000 0.000 0.198 614 D C 1.782 178.209 176.300 0.212 0.000 0.990 614 D CA 1.009 55.111 54.000 0.170 0.000 0.839 614 D CB -0.002 40.867 40.800 0.115 0.000 0.948 614 D HN 0.586 nan 8.370 nan 0.000 0.460 615 L N 0.359 121.699 121.223 0.195 0.000 2.005 615 L HA -0.160 4.179 4.340 -0.000 0.000 0.207 615 L C 2.179 179.136 176.870 0.144 0.000 1.072 615 L CA 0.937 55.855 54.840 0.131 0.000 0.744 615 L CB -0.052 42.041 42.059 0.056 0.000 0.895 615 L HN -0.052 nan 8.230 nan 0.000 0.433 616 I N -0.826 119.856 120.570 0.188 0.000 2.226 616 I HA -0.326 3.843 4.170 -0.000 0.000 0.245 616 I C 2.455 178.687 176.117 0.193 0.000 1.100 616 I CA 1.510 62.913 61.300 0.170 0.000 1.374 616 I CB -1.342 36.763 38.000 0.175 0.000 1.057 616 I HN 0.365 nan 8.210 nan 0.000 0.413 617 Y N 1.458 121.840 120.300 0.136 0.000 2.128 617 Y HA -0.309 4.241 4.550 -0.000 0.000 0.284 617 Y C 3.113 179.129 175.900 0.195 0.000 1.154 617 Y CA 2.252 60.455 58.100 0.171 0.000 1.149 617 Y CB -0.370 38.168 38.460 0.129 0.000 0.976 617 Y HN 0.097 nan 8.280 nan 0.000 0.505 618 S N -0.180 115.721 115.700 0.335 0.000 2.382 618 S HA -0.186 4.284 4.470 -0.000 0.000 0.228 618 S C 2.052 176.741 174.600 0.148 0.000 1.027 618 S CA 1.590 59.928 58.200 0.230 0.000 0.991 618 S CB -0.655 62.653 63.200 0.180 0.000 0.823 618 S HN 0.514 nan 8.310 nan 0.000 0.469 619 I N 1.168 121.822 120.570 0.139 0.000 2.163 619 I HA -0.210 3.959 4.170 -0.000 0.000 0.243 619 I C 2.173 178.400 176.117 0.183 0.000 1.085 619 I CA 1.267 62.659 61.300 0.152 0.000 1.347 619 I CB -0.334 37.755 38.000 0.150 0.000 1.044 619 I HN 0.321 nan 8.210 nan 0.000 0.408 620 L N -0.036 121.288 121.223 0.169 0.000 2.093 620 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 620 L C 2.580 179.569 176.870 0.199 0.000 1.085 620 L CA 1.888 56.875 54.840 0.245 0.000 0.755 620 L CB -0.774 41.435 42.059 0.250 0.000 0.904 620 L HN 0.438 nan 8.230 nan 0.000 0.435 621 T N -5.155 109.441 114.554 0.070 0.000 3.014 621 T HA 0.092 4.442 4.350 -0.000 0.000 0.250 621 T C 1.496 176.255 174.700 0.099 0.000 1.060 621 T CA 0.061 62.207 62.100 0.076 0.000 1.040 621 T CB 0.545 69.410 68.868 -0.005 0.000 0.971 621 T HN 0.295 nan 8.240 nan 0.000 0.497 622 Q N -0.302 119.547 119.800 0.082 0.000 2.474 622 Q HA 0.342 4.681 4.340 -0.000 0.000 0.191 622 Q C 1.937 177.953 176.000 0.027 0.000 0.700 622 Q CA -0.220 55.592 55.803 0.015 0.000 0.849 622 Q CB 0.452 29.220 28.738 0.050 0.000 1.232 622 Q HN 0.248 nan 8.270 nan 0.000 0.563 623 I N 1.713 122.333 120.570 0.083 0.000 2.315 623 I HA -0.137 4.033 4.170 -0.000 0.000 0.248 623 I C 2.439 178.651 176.117 0.159 0.000 1.117 623 I CA 1.355 62.716 61.300 0.101 0.000 1.404 623 I CB -1.589 36.475 38.000 0.107 0.000 1.071 623 I HN 0.164 nan 8.210 nan 0.000 0.419 624 A N 1.885 124.835 122.820 0.217 0.000 1.927 624 A HA -0.289 4.031 4.320 -0.000 0.000 0.220 624 A C 2.587 180.320 177.584 0.250 0.000 1.185 624 A CA 2.986 55.200 52.037 0.296 0.000 0.639 624 A CB -1.055 18.109 19.000 0.274 0.000 0.820 624 A HN 0.603 nan 8.150 nan 0.000 0.451 625 S N -0.091 115.710 115.700 0.169 0.000 2.399 625 S HA -0.194 4.276 4.470 -0.000 0.000 0.231 625 S C 1.393 176.085 174.600 0.154 0.000 1.022 625 S CA 1.459 59.729 58.200 0.117 0.000 0.983 625 S CB -0.491 62.583 63.200 -0.210 0.000 0.803 625 S HN 0.608 nan 8.310 nan 0.000 0.480 626 D N 1.131 121.605 120.400 0.123 0.000 2.162 626 D HA 0.055 4.695 4.640 -0.000 0.000 0.203 626 D C 2.146 178.541 176.300 0.158 0.000 0.967 626 D CA 0.926 55.004 54.000 0.130 0.000 0.840 626 D CB -0.168 40.668 40.800 0.061 0.000 0.972 626 D HN 0.375 nan 8.370 nan 0.000 0.482 627 V N -0.001 119.991 119.914 0.130 0.000 2.300 627 V HA -0.162 3.958 4.120 -0.000 0.000 0.241 627 V C 1.905 177.894 176.094 -0.175 0.000 1.034 627 V CA 1.258 63.563 62.300 0.008 0.000 1.021 627 V CB -0.513 31.302 31.823 -0.013 0.000 0.662 627 V HN 0.128 nan 8.190 nan 0.000 0.458 628 Y N -0.068 120.328 120.300 0.160 0.000 2.503 628 Y HA 0.416 4.966 4.550 -0.000 0.000 0.277 628 Y C 2.067 177.942 175.900 -0.041 0.000 1.102 628 Y CA 0.850 58.981 58.100 0.052 0.000 1.261 628 Y CB 0.569 39.046 38.460 0.029 0.000 1.096 628 Y HN 0.353 nan 8.280 nan 0.000 0.546 629 G N -0.431 108.431 108.800 0.104 0.000 2.308 629 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.221 629 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.221 629 G C 0.707 175.630 174.900 0.040 0.000 1.032 629 G CA -0.189 44.807 45.100 -0.173 0.000 0.623 629 G HN 0.679 nan 8.290 nan 0.000 0.506 630 G N -0.474 108.380 108.800 0.090 0.000 2.488 630 G HA2 0.895 4.855 3.960 -0.000 0.000 0.318 630 G HA3 0.895 4.855 3.960 -0.000 0.000 0.318 630 G C -0.627 174.335 174.900 0.103 0.000 1.188 630 G CA -0.167 44.938 45.100 0.009 0.000 0.944 630 G HN 1.678 nan 8.290 nan 0.000 0.495 631 Y N -2.901 117.293 120.300 -0.177 0.000 2.687 631 Y HA 0.576 5.125 4.550 -0.000 0.000 0.338 631 Y C -1.533 174.166 175.900 -0.335 0.000 1.189 631 Y CA -2.077 55.903 58.100 -0.199 0.000 1.097 631 Y CB 0.655 39.073 38.460 -0.070 0.000 1.342 631 Y HN 0.451 nan 8.280 nan 0.000 0.461 632 F N 2.431 122.261 119.950 -0.201 0.000 2.412 632 F HA 0.523 5.050 4.527 -0.000 0.000 0.348 632 F C 0.156 175.691 175.800 -0.442 0.000 1.102 632 F CA -0.278 57.390 58.000 -0.552 0.000 1.196 632 F CB 0.920 39.234 39.000 -1.144 0.000 1.144 632 F HN 0.347 nan 8.300 nan 0.000 0.541 633 I N 5.143 125.613 120.570 -0.166 0.000 2.388 633 I HA 0.187 4.357 4.170 -0.000 0.000 0.281 633 I C -0.870 175.292 176.117 0.075 0.000 1.046 633 I CA -0.196 61.133 61.300 0.049 0.000 1.187 633 I CB 0.257 38.330 38.000 0.122 0.000 1.351 633 I HN 0.418 nan 8.210 nan 0.000 0.472 634 F N 5.095 125.190 119.950 0.242 0.000 2.421 634 F HA 0.409 4.936 4.527 -0.000 0.000 0.358 634 F C 0.518 176.436 175.800 0.197 0.000 1.115 634 F CA -0.378 57.729 58.000 0.178 0.000 1.160 634 F CB 0.866 39.961 39.000 0.158 0.000 1.123 634 F HN 0.387 nan 8.300 nan 0.000 0.508 635 E N 3.609 124.051 120.200 0.402 0.000 2.415 635 E HA 0.267 4.617 4.350 -0.000 0.000 0.302 635 E C -0.542 176.217 176.600 0.266 0.000 0.907 635 E CA -0.400 56.163 56.400 0.273 0.000 0.798 635 E CB 1.141 30.933 29.700 0.153 0.000 1.315 635 E HN 0.488 nan 8.360 nan 0.000 0.396 636 M N 1.104 120.803 119.600 0.165 0.000 2.388 636 M HA 0.171 4.651 4.480 -0.000 0.000 0.265 636 M C 0.401 176.744 176.300 0.072 0.000 1.088 636 M CA 0.555 55.926 55.300 0.119 0.000 1.134 636 M CB 0.029 32.689 32.600 0.101 0.000 1.384 636 M HN 0.413 nan 8.290 nan 0.000 0.447 637 D N 1.275 121.702 120.400 0.045 0.000 2.316 637 D HA 0.121 4.760 4.640 -0.000 0.000 0.245 637 D C -1.849 174.435 176.300 -0.027 0.000 1.171 637 D CA -1.929 52.070 54.000 -0.003 0.000 0.856 637 D CB 1.633 42.423 40.800 -0.017 0.000 1.090 637 D HN 0.021 nan 8.370 nan 0.000 0.476 638 P HA -0.158 nan 4.420 nan 0.000 0.218 638 P C 1.184 178.421 177.300 -0.105 0.000 1.149 638 P CA 0.934 63.995 63.100 -0.065 0.000 0.817 638 P CB 0.580 32.251 31.700 -0.049 0.000 0.785 639 Q N 0.440 120.189 119.800 -0.086 0.000 2.016 639 Q HA -0.079 4.260 4.340 -0.000 0.000 0.200 639 Q C 2.154 178.085 176.000 -0.114 0.000 0.978 639 Q CA 1.475 57.224 55.803 -0.090 0.000 0.833 639 Q CB -1.370 27.328 28.738 -0.066 0.000 0.895 639 Q HN -0.062 nan 8.270 nan 0.000 0.427 640 V N 1.036 120.885 119.914 -0.107 0.000 2.324 640 V HA -0.333 3.787 4.120 -0.000 0.000 0.250 640 V C 2.283 178.253 176.094 -0.206 0.000 1.060 640 V CA 1.925 64.145 62.300 -0.133 0.000 1.042 640 V CB -1.379 30.387 31.823 -0.095 0.000 0.650 640 V HN 0.519 nan 8.190 nan 0.000 0.450 641 A N -0.142 122.539 122.820 -0.232 0.000 1.902 641 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 641 A C 2.401 179.732 177.584 -0.422 0.000 1.181 641 A CA 2.066 53.852 52.037 -0.418 0.000 0.623 641 A CB -0.703 17.924 19.000 -0.623 0.000 0.818 641 A HN 0.593 nan 8.150 nan 0.000 0.443 642 A N -0.718 121.926 122.820 -0.293 0.000 1.968 642 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 642 A C 2.208 179.672 177.584 -0.199 0.000 1.169 642 A CA 1.438 53.337 52.037 -0.231 0.000 0.638 642 A CB -0.433 18.472 19.000 -0.159 0.000 0.812 642 A HN 0.532 nan 8.150 nan 0.000 0.446 643 R N 0.074 120.457 120.500 -0.195 0.000 2.070 643 R HA -0.142 4.198 4.340 -0.000 0.000 0.233 643 R C 2.097 178.249 176.300 -0.246 0.000 1.137 643 R CA 1.917 57.908 56.100 -0.180 0.000 0.945 643 R CB -0.243 29.960 30.300 -0.161 0.000 0.845 643 R HN 0.498 nan 8.270 nan 0.000 0.430 644 K N 0.076 120.246 120.400 -0.384 0.000 2.103 644 K HA -0.158 4.161 4.320 -0.000 0.000 0.207 644 K C 2.099 178.512 176.600 -0.310 0.000 1.048 644 K CA 1.622 57.552 56.287 -0.595 0.000 0.930 644 K CB -0.167 31.868 32.500 -0.776 0.000 0.716 644 K HN 0.266 nan 8.250 nan 0.000 0.444 645 I N 0.962 121.382 120.570 -0.251 0.000 2.202 645 I HA -0.287 3.883 4.170 -0.000 0.000 0.242 645 I C 2.203 178.259 176.117 -0.101 0.000 1.091 645 I CA 1.173 62.375 61.300 -0.164 0.000 1.368 645 I CB -0.224 37.661 38.000 -0.192 0.000 1.058 645 I HN 0.113 nan 8.210 nan 0.000 0.410 646 L N 0.112 121.271 121.223 -0.107 0.000 2.079 646 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 646 L C 2.264 179.132 176.870 -0.003 0.000 1.081 646 L CA 1.279 56.086 54.840 -0.054 0.000 0.752 646 L CB -0.675 41.347 42.059 -0.061 0.000 0.896 646 L HN 0.300 nan 8.230 nan 0.000 0.433 647 D N 0.007 120.392 120.400 -0.024 0.000 2.133 647 D HA -0.207 4.432 4.640 -0.000 0.000 0.195 647 D C 2.124 178.521 176.300 0.162 0.000 0.997 647 D CA 1.628 55.652 54.000 0.041 0.000 0.840 647 D CB 0.241 41.010 40.800 -0.052 0.000 0.947 647 D HN 0.372 nan 8.370 nan 0.000 0.452 648 A N 0.268 123.154 122.820 0.110 0.000 1.929 648 A HA -0.064 4.255 4.320 -0.000 0.000 0.216 648 A C 2.433 180.175 177.584 0.265 0.000 1.176 648 A CA 0.614 52.813 52.037 0.272 0.000 0.628 648 A CB -0.504 18.604 19.000 0.179 0.000 0.816 648 A HN 0.215 nan 8.150 nan 0.000 0.444 649 L N -0.814 120.497 121.223 0.147 0.000 2.109 649 L HA -0.106 4.233 4.340 -0.000 0.000 0.207 649 L C 2.696 179.671 176.870 0.175 0.000 1.086 649 L CA 1.350 56.264 54.840 0.124 0.000 0.760 649 L CB -0.343 41.739 42.059 0.037 0.000 0.910 649 L HN 0.426 nan 8.230 nan 0.000 0.437 650 E N 0.044 120.351 120.200 0.178 0.000 2.072 650 E HA -0.273 4.077 4.350 -0.000 0.000 0.191 650 E C 2.139 178.908 176.600 0.283 0.000 0.985 650 E CA 1.304 57.812 56.400 0.180 0.000 0.801 650 E CB -0.217 29.555 29.700 0.119 0.000 0.750 650 E HN 0.491 nan 8.360 nan 0.000 0.452 651 Y N 1.387 121.826 120.300 0.231 0.000 2.102 651 Y HA -0.273 4.277 4.550 -0.000 0.000 0.280 651 Y C 2.481 178.571 175.900 0.316 0.000 1.178 651 Y CA 2.579 60.865 58.100 0.310 0.000 1.146 651 Y CB 0.011 38.676 38.460 0.342 0.000 0.968 651 Y HN -0.018 nan 8.280 nan 0.000 0.504 652 R N -0.933 119.851 120.500 0.472 0.000 2.100 652 R HA -0.073 4.267 4.340 -0.000 0.000 0.220 652 R C 2.358 178.742 176.300 0.139 0.000 1.091 652 R CA 1.630 57.910 56.100 0.300 0.000 0.986 652 R CB -0.524 29.932 30.300 0.260 0.000 0.888 652 R HN 0.499 nan 8.270 nan 0.000 0.444 653 T N -1.377 113.265 114.554 0.147 0.000 2.788 653 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 653 T C 1.579 176.334 174.700 0.092 0.000 1.044 653 T CA 0.906 63.060 62.100 0.090 0.000 1.139 653 T CB -0.473 68.447 68.868 0.086 0.000 0.867 653 T HN 0.443 nan 8.240 nan 0.000 0.454 654 W N 2.338 123.603 121.300 -0.058 0.000 2.332 654 W HA 0.001 4.661 4.660 -0.000 0.000 0.321 654 W C 2.384 178.793 176.519 -0.184 0.000 1.219 654 W CA 1.310 58.590 57.345 -0.109 0.000 1.277 654 W CB -0.344 29.039 29.460 -0.129 0.000 1.161 654 W HN 0.080 nan 8.180 nan 0.000 0.476 655 K N 0.066 120.209 120.400 -0.427 0.000 2.097 655 K HA -0.196 4.124 4.320 -0.000 0.000 0.206 655 K C 2.275 178.428 176.600 -0.744 0.000 1.049 655 K CA 1.552 57.293 56.287 -0.910 0.000 0.933 655 K CB -0.693 31.383 32.500 -0.706 0.000 0.717 655 K HN 0.286 nan 8.250 nan 0.000 0.442 656 L N -0.027 120.980 121.223 -0.362 0.000 2.046 656 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 656 L C 2.236 178.998 176.870 -0.180 0.000 1.077 656 L CA 1.610 56.320 54.840 -0.216 0.000 0.747 656 L CB -0.606 41.406 42.059 -0.077 0.000 0.896 656 L HN 0.333 nan 8.230 nan 0.000 0.432 657 G N -1.099 107.592 108.800 -0.182 0.000 2.402 657 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.216 657 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.216 657 G C 1.523 176.333 174.900 -0.150 0.000 1.162 657 G CA 0.843 45.870 45.100 -0.120 0.000 0.777 657 G HN 0.273 nan 8.290 nan 0.000 0.539 658 V N 0.433 120.166 119.914 -0.303 0.000 2.358 658 V HA -0.196 3.923 4.120 -0.000 0.000 0.246 658 V C 2.396 178.438 176.094 -0.086 0.000 1.047 658 V CA 2.072 64.210 62.300 -0.270 0.000 1.035 658 V CB -0.873 30.622 31.823 -0.547 0.000 0.658 658 V HN 0.541 nan 8.190 nan 0.000 0.452 659 H N -0.248 118.692 119.070 -0.216 0.000 2.387 659 H HA -0.139 4.417 4.556 -0.000 0.000 0.299 659 H C 2.445 177.721 175.328 -0.086 0.000 1.090 659 H CA 1.332 57.293 56.048 -0.145 0.000 1.332 659 H CB 0.119 29.801 29.762 -0.132 0.000 1.386 659 H HN 0.371 nan 8.280 nan 0.000 0.516 660 K N 0.559 120.988 120.400 0.048 0.000 2.026 660 K HA -0.152 4.168 4.320 -0.000 0.000 0.208 660 K C 2.256 178.868 176.600 0.020 0.000 1.048 660 K CA 1.006 57.306 56.287 0.022 0.000 0.929 660 K CB 0.074 32.575 32.500 0.002 0.000 0.713 660 K HN 0.239 nan 8.250 nan 0.000 0.439 661 E N 0.720 120.926 120.200 0.010 0.000 2.038 661 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 661 E C 2.018 178.649 176.600 0.052 0.000 1.000 661 E CA 1.403 57.814 56.400 0.019 0.000 0.803 661 E CB -0.009 29.695 29.700 0.006 0.000 0.750 661 E HN 0.035 nan 8.360 nan 0.000 0.448 662 V N 1.388 121.344 119.914 0.069 0.000 2.287 662 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 662 V C 2.577 178.769 176.094 0.163 0.000 1.053 662 V CA 1.971 64.358 62.300 0.145 0.000 1.027 662 V CB -0.937 30.912 31.823 0.044 0.000 0.646 662 V HN 0.372 nan 8.190 nan 0.000 0.447 663 A N -1.127 121.732 122.820 0.066 0.000 1.972 663 A HA -0.257 4.062 4.320 -0.000 0.000 0.219 663 A C 2.279 179.900 177.584 0.062 0.000 1.169 663 A CA 1.964 54.030 52.037 0.049 0.000 0.635 663 A CB -0.431 18.576 19.000 0.011 0.000 0.810 663 A HN 0.609 nan 8.150 nan 0.000 0.446 664 E N -0.877 119.353 120.200 0.049 0.000 2.112 664 E HA -0.145 4.205 4.350 -0.000 0.000 0.190 664 E C 2.284 178.895 176.600 0.017 0.000 0.979 664 E CA 0.843 57.258 56.400 0.027 0.000 0.814 664 E CB -0.038 29.671 29.700 0.014 0.000 0.762 664 E HN 0.653 nan 8.360 nan 0.000 0.460 665 R N -0.312 120.205 120.500 0.027 0.000 2.062 665 R HA -0.150 4.190 4.340 -0.000 0.000 0.231 665 R C 1.706 177.933 176.300 -0.123 0.000 1.136 665 R CA 1.548 57.615 56.100 -0.053 0.000 0.948 665 R CB -0.361 29.912 30.300 -0.045 0.000 0.845 665 R HN 0.134 nan 8.270 nan 0.000 0.430 666 Y N 1.119 121.403 120.300 -0.026 0.000 2.546 666 Y HA 0.126 4.676 4.550 -0.000 0.000 0.287 666 Y C -0.291 175.593 175.900 -0.027 0.000 1.158 666 Y CA 0.698 58.781 58.100 -0.028 0.000 1.307 666 Y CB 0.061 38.499 38.460 -0.036 0.000 1.036 666 Y HN 0.223 nan 8.280 nan 0.000 0.532 667 E N 0.851 121.101 120.200 0.084 0.000 2.291 667 E HA -0.186 4.164 4.350 -0.000 0.000 0.181 667 E C -0.133 176.493 176.600 0.043 0.000 1.480 667 E CA 0.716 57.142 56.400 0.044 0.000 0.674 667 E CB -1.556 28.153 29.700 0.016 0.000 1.108 667 E HN 0.425 nan 8.360 nan 0.000 0.357 668 T N -2.133 112.443 114.554 0.038 0.000 2.887 668 T HA 0.545 4.894 4.350 -0.000 0.000 0.292 668 T C 0.157 174.853 174.700 -0.006 0.000 1.087 668 T CA -1.342 60.764 62.100 0.009 0.000 1.009 668 T CB 1.794 70.658 68.868 -0.006 0.000 1.203 668 T HN 0.151 nan 8.240 nan 0.000 0.518 669 K N 0.237 120.626 120.400 -0.019 0.000 2.508 669 K HA 0.170 4.490 4.320 -0.000 0.000 0.273 669 K C 0.086 176.663 176.600 -0.038 0.000 0.964 669 K CA -0.478 55.794 56.287 -0.025 0.000 0.948 669 K CB 0.082 32.563 32.500 -0.031 0.000 0.917 669 K HN 0.523 nan 8.250 nan 0.000 0.512 670 L N 2.570 123.775 121.223 -0.030 0.000 2.453 670 L HA 0.019 4.359 4.340 -0.000 0.000 0.272 670 L C -0.274 176.551 176.870 -0.074 0.000 1.182 670 L CA 0.050 54.870 54.840 -0.033 0.000 0.858 670 L CB 0.535 42.595 42.059 0.001 0.000 1.120 670 L HN 0.670 nan 8.230 nan 0.000 0.474 671 C N 5.192 124.396 119.300 -0.159 0.000 2.634 671 C HA 0.096 4.556 4.460 -0.000 0.000 0.418 671 C C 1.391 176.306 174.990 -0.125 0.000 1.373 671 C CA -0.437 58.423 59.018 -0.262 0.000 1.756 671 C CB -0.325 27.031 27.740 -0.639 0.000 2.589 671 C HN 0.888 nan 8.230 nan 0.000 0.602 672 Q N 3.596 123.348 119.800 -0.080 0.000 2.319 672 Q HA 0.164 4.503 4.340 -0.000 0.000 0.202 672 Q C 1.050 177.079 176.000 0.048 0.000 0.896 672 Q CA 0.160 55.974 55.803 0.018 0.000 0.942 672 Q CB 0.157 28.900 28.738 0.009 0.000 1.083 672 Q HN 0.988 nan 8.270 nan 0.000 0.510 673 G N 0.341 109.123 108.800 -0.031 0.000 2.353 673 G HA2 0.064 4.023 3.960 -0.000 0.000 0.239 673 G HA3 0.064 4.023 3.960 -0.000 0.000 0.239 673 G C -0.296 174.739 174.900 0.225 0.000 1.295 673 G CA -0.238 44.843 45.100 -0.031 0.000 0.884 673 G HN 0.127 nan 8.290 nan 0.000 0.537 674 Y N 0.000 120.358 120.300 0.097 0.000 2.660 674 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 674 Y CA 0.000 58.175 58.100 0.126 0.000 1.940 674 Y CB 0.000 38.517 38.460 0.096 0.000 1.050 674 Y HN 0.000 nan 8.280 nan 0.000 0.758