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 3i2j_1_A DATA FIRST_RESID 2 DATA SEQUENCE VDGNYSVASN VMVPMRDGVR LAVDLYRPDA DGPVPVLLVR NPYDKFDVFA DATA SEQUENCE WSTQSTNWLE FVRDGYAVVI QDTRGLFASE GEFVPHVDDE ADAEDTLSWI DATA SEQUENCE LEQAWCDGNV GMFGVSYLGV TQWQAAVSGV GGLKAIAPSM ASADLYRAPW DATA SEQUENCE YGPGGALSVE ALLGWSALIG TGLITSRSDA RPEDAADFVQ LAAILNDVAG DATA SEQUENCE AASVTPLAEQ PLLGRLIPWV IDQVVDHPDN DESWQSISLF ERLGGLATPA DATA SEQUENCE LITAGWYDGF VGESLRTFVA VKDNADARLV VGPWSHSNLT GRNADRKFGI DATA SEQUENCE AATYPIQEAT TMHKAFFDRH LRGETDALAG VPKVRLFVMG IDEWRDETDW DATA SEQUENCE PLPDTAYTPF YLGGSGAANT STGGGTLSTS ISGTESADTY LYDPADPVPS DATA SEQUENCE LGGTLLFHNG DNGPADQRPI HDRDDVLCYS TEVLTDPVEV TGTVSARLFV DATA SEQUENCE SSSAVDTDFT AKLVDVFPDG RAIALCDGIV RMRYRETLVN PTLIEAGEIY DATA SEQUENCE EVAIDMLATS NVFLPGHRIM VQVSSSNFPK YDRNSNTGGV IAREQLEEMC DATA SEQUENCE TAVNRIHRGP EHPSHIVLPI IKRK 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 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.121 176.094 0.044 0.000 1.182 2 V CA 0.000 62.318 62.300 0.029 0.000 1.235 2 V CB 0.000 31.835 31.823 0.020 0.000 1.184 3 D N 3.203 123.629 120.400 0.043 0.000 2.458 3 D HA 0.478 5.118 4.640 0.000 0.000 0.243 3 D C 1.236 177.576 176.300 0.067 0.000 1.146 3 D CA 2.150 56.183 54.000 0.055 0.000 0.877 3 D CB 1.274 42.099 40.800 0.043 0.000 1.176 3 D HN 1.227 nan 8.370 nan 0.000 0.461 4 G N 2.218 111.077 108.800 0.098 0.000 2.213 4 G HA2 -0.261 3.699 3.960 0.000 0.000 0.236 4 G HA3 -0.261 3.699 3.960 0.000 0.000 0.236 4 G C 0.384 175.389 174.900 0.174 0.000 0.991 4 G CA -0.380 44.794 45.100 0.124 0.000 0.629 4 G HN 0.503 nan 8.290 nan 0.000 0.517 5 N N 0.249 119.034 118.700 0.141 0.000 2.492 5 N HA 0.750 5.490 4.740 0.000 0.000 0.289 5 N C -0.275 175.366 175.510 0.218 0.000 1.133 5 N CA 0.174 53.288 53.050 0.106 0.000 0.961 5 N CB 1.149 39.651 38.487 0.024 0.000 1.186 5 N HN 0.699 nan 8.380 nan 0.000 0.493 6 Y N -2.637 117.688 120.300 0.041 0.000 2.705 6 Y HA 0.715 5.265 4.550 0.000 0.000 0.332 6 Y C -0.806 175.109 175.900 0.025 0.000 1.221 6 Y CA -1.320 56.809 58.100 0.049 0.000 1.059 6 Y CB 0.607 39.126 38.460 0.099 0.000 1.298 6 Y HN 0.449 nan 8.280 nan 0.000 0.459 7 S N 0.279 116.088 115.700 0.181 0.000 2.599 7 S HA 0.887 5.357 4.470 0.000 0.000 0.294 7 S C -1.786 172.863 174.600 0.082 0.000 1.094 7 S CA -0.748 57.478 58.200 0.043 0.000 0.931 7 S CB 1.819 65.013 63.200 -0.010 0.000 1.093 7 S HN 0.881 nan 8.310 nan 0.000 0.488 8 V N 1.130 121.020 119.914 -0.040 0.000 2.483 8 V HA 0.791 4.911 4.120 0.000 0.000 0.297 8 V C -0.090 175.912 176.094 -0.154 0.000 1.027 8 V CA -0.545 61.643 62.300 -0.186 0.000 0.855 8 V CB 1.153 32.818 31.823 -0.265 0.000 0.995 8 V HN 1.240 nan 8.190 nan 0.000 0.424 9 A N 3.578 126.304 122.820 -0.157 0.000 2.287 9 A HA 0.819 5.140 4.320 0.000 0.000 0.317 9 A C 0.065 177.625 177.584 -0.039 0.000 1.220 9 A CA -0.381 51.613 52.037 -0.072 0.000 0.835 9 A CB 0.977 19.952 19.000 -0.041 0.000 1.180 9 A HN 0.711 nan 8.150 nan 0.000 0.500 10 S N 2.245 117.958 115.700 0.022 0.000 2.541 10 S HA 0.435 4.906 4.470 0.000 0.000 0.283 10 S C 0.188 174.853 174.600 0.109 0.000 1.196 10 S CA -0.644 57.630 58.200 0.123 0.000 1.062 10 S CB 0.605 63.934 63.200 0.216 0.000 1.009 10 S HN 0.744 nan 8.310 nan 0.000 0.502 11 N N 0.341 119.089 118.700 0.080 0.000 2.738 11 N HA -0.130 4.610 4.740 0.000 0.000 0.249 11 N C -0.780 174.734 175.510 0.006 0.000 1.047 11 N CA 0.279 53.336 53.050 0.011 0.000 0.707 11 N CB -1.476 37.036 38.487 0.043 0.000 0.937 11 N HN 0.386 nan 8.380 nan 0.000 0.545 12 V N 1.445 121.363 119.914 0.007 0.000 2.470 12 V HA 0.133 4.253 4.120 0.000 0.000 0.276 12 V C 0.952 176.992 176.094 -0.090 0.000 1.040 12 V CA 0.035 62.344 62.300 0.015 0.000 1.008 12 V CB 0.952 32.839 31.823 0.107 0.000 0.990 12 V HN 0.141 nan 8.190 nan 0.000 0.477 13 M N 5.851 125.399 119.600 -0.087 0.000 2.108 13 M HA 0.386 4.867 4.480 0.000 0.000 0.354 13 M C -0.572 175.567 176.300 -0.268 0.000 1.229 13 M CA -0.354 54.858 55.300 -0.148 0.000 1.081 13 M CB 0.986 33.539 32.600 -0.078 0.000 1.606 13 M HN 0.308 nan 8.290 nan 0.000 0.467 14 V N 6.869 126.545 119.914 -0.397 0.000 2.357 14 V HA 0.395 4.515 4.120 0.000 0.000 0.284 14 V C -2.064 173.830 176.094 -0.333 0.000 1.018 14 V CA -1.546 60.373 62.300 -0.635 0.000 0.841 14 V CB 1.681 32.932 31.823 -0.954 0.000 0.991 14 V HN 0.615 nan 8.190 nan 0.000 0.437 15 P HA 0.266 nan 4.420 nan 0.000 0.282 15 P C -0.568 176.691 177.300 -0.067 0.000 1.262 15 P CA -0.278 62.765 63.100 -0.096 0.000 0.773 15 P CB 0.949 32.631 31.700 -0.029 0.000 0.879 16 M N 3.280 122.849 119.600 -0.051 0.000 2.245 16 M HA 0.243 4.723 4.480 0.000 0.000 0.292 16 M C 2.163 178.459 176.300 -0.006 0.000 1.176 16 M CA -0.548 54.737 55.300 -0.025 0.000 1.035 16 M CB 0.299 32.882 32.600 -0.027 0.000 1.440 16 M HN 0.403 nan 8.290 nan 0.000 0.494 17 R N 0.700 121.202 120.500 0.003 0.000 2.159 17 R HA -0.163 4.177 4.340 0.000 0.000 0.237 17 R C 0.468 176.771 176.300 0.004 0.000 1.131 17 R CA 1.941 58.046 56.100 0.008 0.000 0.982 17 R CB -0.597 29.710 30.300 0.011 0.000 0.868 17 R HN 0.682 nan 8.270 nan 0.000 0.453 18 D N -0.753 119.646 120.400 -0.002 0.000 2.339 18 D HA 0.098 4.738 4.640 0.000 0.000 0.217 18 D C 1.154 177.451 176.300 -0.006 0.000 1.050 18 D CA 0.555 54.553 54.000 -0.004 0.000 0.856 18 D CB 0.427 41.224 40.800 -0.006 0.000 0.922 18 D HN 0.441 nan 8.370 nan 0.000 0.518 19 G N -0.175 108.620 108.800 -0.007 0.000 2.199 19 G HA2 -0.278 3.682 3.960 0.000 0.000 0.254 19 G HA3 -0.278 3.682 3.960 0.000 0.000 0.254 19 G C 0.245 175.134 174.900 -0.018 0.000 0.982 19 G CA 0.179 45.274 45.100 -0.009 0.000 0.632 19 G HN 0.379 nan 8.290 nan 0.000 0.529 20 V N 1.921 121.822 119.914 -0.022 0.000 2.572 20 V HA 0.369 4.490 4.120 0.000 0.000 0.291 20 V C 1.047 177.114 176.094 -0.046 0.000 1.039 20 V CA 0.146 62.428 62.300 -0.029 0.000 1.055 20 V CB 1.006 32.814 31.823 -0.025 0.000 0.969 20 V HN 0.394 nan 8.190 nan 0.000 0.482 21 R N 4.390 124.857 120.500 -0.055 0.000 2.294 21 R HA 0.566 4.907 4.340 0.000 0.000 0.319 21 R C -1.313 174.931 176.300 -0.093 0.000 0.984 21 R CA -0.858 55.191 56.100 -0.084 0.000 0.861 21 R CB 1.258 31.512 30.300 -0.078 0.000 1.104 21 R HN 0.395 nan 8.270 nan 0.000 0.451 22 L N 2.176 123.323 121.223 -0.128 0.000 2.309 22 L HA 0.431 4.772 4.340 0.000 0.000 0.282 22 L C 0.158 176.934 176.870 -0.157 0.000 1.036 22 L CA -0.274 54.492 54.840 -0.122 0.000 0.806 22 L CB 1.686 43.679 42.059 -0.111 0.000 1.220 22 L HN 0.721 nan 8.230 nan 0.000 0.429 23 A N 3.487 126.229 122.820 -0.129 0.000 2.366 23 A HA 0.649 4.970 4.320 0.000 0.000 0.272 23 A C -0.328 177.173 177.584 -0.139 0.000 1.135 23 A CA -0.312 51.642 52.037 -0.138 0.000 0.804 23 A CB 0.456 19.373 19.000 -0.138 0.000 1.064 23 A HN 0.722 nan 8.150 nan 0.000 0.499 24 V N -0.251 119.590 119.914 -0.122 0.000 3.001 24 V HA 0.751 4.872 4.120 0.000 0.000 0.314 24 V C -1.233 174.859 176.094 -0.003 0.000 1.099 24 V CA -1.090 61.173 62.300 -0.062 0.000 0.989 24 V CB 2.177 33.975 31.823 -0.042 0.000 1.040 24 V HN 0.679 nan 8.190 nan 0.000 0.434 25 D N 2.876 123.311 120.400 0.058 0.000 2.217 25 D HA 0.634 5.274 4.640 0.000 0.000 0.243 25 D C -0.576 175.776 176.300 0.086 0.000 1.054 25 D CA 0.048 54.092 54.000 0.073 0.000 0.838 25 D CB 1.983 42.877 40.800 0.157 0.000 1.162 25 D HN 0.656 nan 8.370 nan 0.000 0.472 26 L N 2.662 123.861 121.223 -0.040 0.000 2.280 26 L HA 0.342 4.682 4.340 0.000 0.000 0.287 26 L C -0.806 175.962 176.870 -0.170 0.000 1.023 26 L CA -0.898 53.901 54.840 -0.067 0.000 0.819 26 L CB 0.540 42.486 42.059 -0.188 0.000 1.212 26 L HN 0.248 nan 8.230 nan 0.000 0.420 27 Y N 3.082 123.395 120.300 0.021 0.000 2.504 27 Y HA 0.442 4.993 4.550 0.000 0.000 0.339 27 Y C 0.149 176.048 175.900 -0.002 0.000 0.974 27 Y CA -0.557 57.594 58.100 0.086 0.000 1.232 27 Y CB 0.749 39.307 38.460 0.163 0.000 1.108 27 Y HN 0.425 nan 8.280 nan 0.000 0.509 28 R N 4.832 125.378 120.500 0.078 0.000 2.437 28 R HA 0.417 4.757 4.340 0.000 0.000 0.310 28 R C -2.820 173.552 176.300 0.121 0.000 0.955 28 R CA -2.132 53.962 56.100 -0.011 0.000 0.851 28 R CB 1.581 31.732 30.300 -0.249 0.000 1.161 28 R HN 0.315 nan 8.270 nan 0.000 0.446 29 P HA -0.012 nan 4.420 nan 0.000 0.271 29 P C -0.888 176.484 177.300 0.120 0.000 1.218 29 P CA -0.257 62.944 63.100 0.167 0.000 0.780 29 P CB 0.654 32.433 31.700 0.132 0.000 0.901 30 D N 1.202 121.672 120.400 0.118 0.000 2.349 30 D HA 0.344 4.984 4.640 0.000 0.000 0.266 30 D C 0.113 176.450 176.300 0.062 0.000 1.293 30 D CA 0.786 54.830 54.000 0.073 0.000 0.926 30 D CB -0.149 40.684 40.800 0.056 0.000 1.090 30 D HN 0.338 nan 8.370 nan 0.000 0.502 31 A N 3.110 125.965 122.820 0.059 0.000 2.437 31 A HA 0.363 4.683 4.320 0.000 0.000 0.293 31 A C -0.825 176.791 177.584 0.055 0.000 1.038 31 A CA -0.989 51.082 52.037 0.057 0.000 0.708 31 A CB 1.385 20.425 19.000 0.067 0.000 1.251 31 A HN 0.239 nan 8.150 nan 0.000 0.409 32 D N 1.295 121.720 120.400 0.042 0.000 2.302 32 D HA 0.508 5.149 4.640 0.000 0.000 0.248 32 D C 0.747 177.069 176.300 0.037 0.000 1.094 32 D CA 1.533 55.556 54.000 0.037 0.000 0.897 32 D CB 1.399 42.215 40.800 0.026 0.000 1.200 32 D HN 1.496 nan 8.370 nan 0.000 0.429 33 G N 2.251 111.074 108.800 0.037 0.000 2.767 33 G HA2 -0.113 3.847 3.960 0.000 0.000 0.686 33 G HA3 -0.113 3.847 3.960 0.000 0.000 0.686 33 G C -2.862 172.067 174.900 0.048 0.000 1.213 33 G CA -1.094 44.024 45.100 0.030 0.000 0.803 33 G HN 0.379 nan 8.290 nan 0.000 0.603 34 P HA 0.576 nan 4.420 nan 0.000 0.274 34 P C 0.296 177.626 177.300 0.050 0.000 1.246 34 P CA 0.095 63.230 63.100 0.059 0.000 0.795 34 P CB 1.506 33.208 31.700 0.002 0.000 1.006 35 V N -3.668 116.298 119.914 0.086 0.000 3.102 35 V HA 0.670 4.790 4.120 0.000 0.000 0.312 35 V C -2.759 173.364 176.094 0.049 0.000 1.135 35 V CA -3.154 59.174 62.300 0.046 0.000 1.022 35 V CB 1.598 33.464 31.823 0.072 0.000 1.056 35 V HN 0.372 nan 8.190 nan 0.000 0.436 36 P HA 0.362 nan 4.420 nan 0.000 0.272 36 P C -0.883 176.531 177.300 0.190 0.000 1.223 36 P CA -0.076 63.050 63.100 0.043 0.000 0.784 36 P CB 1.377 33.058 31.700 -0.032 0.000 0.923 37 V N 2.933 122.964 119.914 0.196 0.000 2.656 37 V HA 0.407 4.527 4.120 0.000 0.000 0.307 37 V C 0.161 176.325 176.094 0.118 0.000 1.051 37 V CA -0.703 61.737 62.300 0.234 0.000 0.893 37 V CB 1.843 33.832 31.823 0.276 0.000 0.999 37 V HN 0.346 nan 8.190 nan 0.000 0.426 38 L N 4.851 126.141 121.223 0.112 0.000 2.341 38 L HA 0.639 4.979 4.340 0.000 0.000 0.278 38 L C -0.895 176.017 176.870 0.071 0.000 1.005 38 L CA -0.639 54.211 54.840 0.016 0.000 0.818 38 L CB 1.820 43.876 42.059 -0.004 0.000 1.259 38 L HN 0.461 nan 8.230 nan 0.000 0.418 39 L N 4.338 125.552 121.223 -0.015 0.000 2.329 39 L HA 0.710 5.050 4.340 0.000 0.000 0.279 39 L C -0.847 175.858 176.870 -0.275 0.000 1.014 39 L CA -0.295 54.499 54.840 -0.076 0.000 0.814 39 L CB 1.943 43.991 42.059 -0.018 0.000 1.257 39 L HN 0.287 nan 8.230 nan 0.000 0.424 40 V N 5.421 125.119 119.914 -0.360 0.000 2.444 40 V HA 0.579 4.699 4.120 0.000 0.000 0.294 40 V C -0.271 175.610 176.094 -0.355 0.000 1.022 40 V CA -0.673 61.305 62.300 -0.537 0.000 0.850 40 V CB 1.592 32.915 31.823 -0.833 0.000 0.992 40 V HN 0.686 nan 8.190 nan 0.000 0.426 41 R N 3.690 124.011 120.500 -0.300 0.000 2.265 41 R HA 0.472 4.812 4.340 0.000 0.000 0.328 41 R C -0.507 175.687 176.300 -0.178 0.000 0.969 41 R CA -0.301 55.691 56.100 -0.180 0.000 0.832 41 R CB 1.491 31.736 30.300 -0.092 0.000 1.139 41 R HN 0.792 nan 8.270 nan 0.000 0.457 42 N N 3.945 122.534 118.700 -0.184 0.000 2.410 42 N HA 0.260 5.000 4.740 0.000 0.000 0.287 42 N C -2.202 173.153 175.510 -0.258 0.000 1.044 42 N CA -1.878 51.022 53.050 -0.250 0.000 0.881 42 N CB 2.149 40.437 38.487 -0.331 0.000 1.405 42 N HN 0.243 nan 8.380 nan 0.000 0.490 43 P HA 0.131 nan 4.420 nan 0.000 0.261 43 P C -0.700 176.258 177.300 -0.569 0.000 1.352 43 P CA 0.274 63.003 63.100 -0.618 0.000 0.891 43 P CB -0.167 30.936 31.700 -0.995 0.000 1.383 44 Y N -0.210 120.026 120.300 -0.107 0.000 2.734 44 Y HA 0.391 4.941 4.550 0.000 0.000 0.278 44 Y C 0.043 175.676 175.900 -0.446 0.000 1.108 44 Y CA -1.346 56.681 58.100 -0.121 0.000 1.211 44 Y CB -0.373 38.070 38.460 -0.028 0.000 1.182 44 Y HN -0.097 nan 8.280 nan 0.000 0.547 45 D N 1.542 121.531 120.400 -0.684 0.000 4.874 45 D HA -0.183 4.457 4.640 0.000 0.000 0.228 45 D C 0.880 176.991 176.300 -0.315 0.000 1.423 45 D CA 0.684 54.111 54.000 -0.954 0.000 1.130 45 D CB 0.373 40.318 40.800 -1.425 0.000 0.564 45 D HN 0.626 nan 8.370 nan 0.000 0.272 46 K N 2.275 122.532 120.400 -0.239 0.000 2.218 46 K HA -0.194 4.126 4.320 0.000 0.000 0.205 46 K C 1.872 178.558 176.600 0.142 0.000 1.046 46 K CA 1.114 57.376 56.287 -0.043 0.000 0.933 46 K CB -0.274 32.170 32.500 -0.092 0.000 0.728 46 K HN 0.284 nan 8.250 nan 0.000 0.454 47 F N 2.369 122.295 119.950 -0.040 0.000 2.134 47 F HA -0.089 4.438 4.527 0.000 0.000 0.299 47 F C 1.099 176.863 175.800 -0.061 0.000 1.097 47 F CA 0.708 58.689 58.000 -0.031 0.000 1.264 47 F CB -0.814 38.145 39.000 -0.068 0.000 1.001 47 F HN 0.112 nan 8.300 nan 0.000 0.479 48 D N 0.832 121.301 120.400 0.116 0.000 2.551 48 D HA 0.079 4.719 4.640 0.000 0.000 0.223 48 D C 1.382 177.733 176.300 0.085 0.000 1.144 48 D CA 0.085 54.102 54.000 0.028 0.000 1.025 48 D CB 0.255 41.063 40.800 0.013 0.000 1.085 48 D HN 0.094 nan 8.370 nan 0.000 0.506 49 V N 0.534 120.416 119.914 -0.053 0.000 2.719 49 V HA -0.070 4.051 4.120 0.000 0.000 0.252 49 V C 1.828 177.800 176.094 -0.205 0.000 1.065 49 V CA 0.753 63.026 62.300 -0.044 0.000 1.086 49 V CB -0.945 30.928 31.823 0.083 0.000 0.700 49 V HN 0.160 nan 8.190 nan 0.000 0.467 50 F N 1.996 121.878 119.950 -0.112 0.000 2.293 50 F HA 0.265 4.792 4.527 0.000 0.000 0.300 50 F C 2.670 178.376 175.800 -0.156 0.000 1.086 50 F CA 0.500 58.401 58.000 -0.165 0.000 1.375 50 F CB -1.402 37.535 39.000 -0.106 0.000 1.045 50 F HN 0.261 nan 8.300 nan 0.000 0.516 51 A N 0.508 123.386 122.820 0.096 0.000 1.933 51 A HA -0.175 4.145 4.320 0.000 0.000 0.218 51 A C 2.038 179.686 177.584 0.105 0.000 1.175 51 A CA 1.753 53.848 52.037 0.097 0.000 0.628 51 A CB -1.091 17.986 19.000 0.129 0.000 0.814 51 A HN 0.666 nan 8.150 nan 0.000 0.444 52 W N -2.386 118.941 121.300 0.045 0.000 2.871 52 W HA 0.270 4.930 4.660 0.000 0.000 0.267 52 W C 1.264 177.801 176.519 0.030 0.000 1.180 52 W CA 0.693 58.045 57.345 0.011 0.000 1.463 52 W CB -0.674 28.814 29.460 0.046 0.000 0.966 52 W HN 0.206 nan 8.180 nan 0.000 0.605 53 S N 1.872 117.154 115.700 -0.698 0.000 2.399 53 S HA -0.193 4.278 4.470 0.000 0.000 0.231 53 S C 1.916 176.361 174.600 -0.259 0.000 1.022 53 S CA 2.524 60.313 58.200 -0.686 0.000 0.983 53 S CB -0.683 62.123 63.200 -0.658 0.000 0.803 53 S HN 0.426 nan 8.310 nan 0.000 0.480 54 T N -0.403 114.026 114.554 -0.209 0.000 3.051 54 T HA -0.019 4.331 4.350 0.000 0.000 0.269 54 T C 1.081 175.642 174.700 -0.231 0.000 1.127 54 T CA 0.795 62.790 62.100 -0.174 0.000 1.107 54 T CB -0.227 68.547 68.868 -0.157 0.000 0.898 54 T HN 0.207 nan 8.240 nan 0.000 0.517 55 Q N 0.029 119.665 119.800 -0.274 0.000 2.189 55 Q HA 0.503 4.843 4.340 0.000 0.000 0.221 55 Q C 1.389 177.078 176.000 -0.519 0.000 0.848 55 Q CA -0.142 55.329 55.803 -0.554 0.000 1.007 55 Q CB 0.935 29.418 28.738 -0.424 0.000 1.116 55 Q HN 0.488 nan 8.270 nan 0.000 0.481 56 S N -1.087 114.508 115.700 -0.175 0.000 4.163 56 S HA 0.414 4.884 4.470 0.000 0.000 0.164 56 S C -0.190 174.514 174.600 0.173 0.000 0.896 56 S CA 0.623 58.886 58.200 0.104 0.000 1.125 56 S CB 0.287 63.736 63.200 0.414 0.000 1.698 56 S HN 0.311 nan 8.310 nan 0.000 0.817 57 T N 0.815 115.436 114.554 0.112 0.000 2.853 57 T HA 0.518 4.868 4.350 0.000 0.000 0.311 57 T C -1.688 172.917 174.700 -0.158 0.000 1.307 57 T CA -0.845 61.223 62.100 -0.053 0.000 1.019 57 T CB 1.117 69.870 68.868 -0.192 0.000 1.264 57 T HN 0.198 nan 8.240 nan 0.000 0.497 58 N N 2.500 121.014 118.700 -0.309 0.000 3.050 58 N HA 0.104 4.844 4.740 0.000 0.000 0.289 58 N C 1.106 176.210 175.510 -0.676 0.000 1.209 58 N CA -0.464 52.319 53.050 -0.445 0.000 1.154 58 N CB -0.016 38.270 38.487 -0.336 0.000 1.444 58 N HN 0.799 nan 8.380 nan 0.000 0.529 59 W N 0.443 121.339 121.300 -0.673 0.000 2.699 59 W HA 0.034 4.694 4.660 0.000 0.000 0.249 59 W C 0.597 176.726 176.519 -0.650 0.000 1.280 59 W CA -0.213 56.512 57.345 -1.034 0.000 1.345 59 W CB -0.625 28.567 29.460 -0.447 0.000 1.128 59 W HN 0.207 nan 8.180 nan 0.000 0.642 60 L N 1.256 122.002 121.223 -0.795 0.000 2.191 60 L HA -0.184 4.157 4.340 0.000 0.000 0.212 60 L C 2.576 179.261 176.870 -0.308 0.000 1.103 60 L CA 1.548 56.054 54.840 -0.557 0.000 0.769 60 L CB -0.669 41.042 42.059 -0.580 0.000 0.908 60 L HN 0.013 nan 8.230 nan 0.000 0.438 61 E N -0.242 119.752 120.200 -0.343 0.000 2.118 61 E HA -0.218 4.132 4.350 0.000 0.000 0.195 61 E C 2.107 178.735 176.600 0.046 0.000 0.992 61 E CA 1.195 57.496 56.400 -0.166 0.000 0.804 61 E CB -0.064 29.512 29.700 -0.206 0.000 0.741 61 E HN 0.380 nan 8.360 nan 0.000 0.458 62 F N 0.126 120.090 119.950 0.022 0.000 2.134 62 F HA -0.167 4.360 4.527 0.001 0.000 0.299 62 F C 2.326 178.241 175.800 0.191 0.000 1.097 62 F CA 0.587 58.647 58.000 0.099 0.000 1.264 62 F CB -1.202 37.766 39.000 -0.053 0.000 1.001 62 F HN -0.109 nan 8.300 nan 0.000 0.479 63 V N 0.249 120.301 119.914 0.230 0.000 2.358 63 V HA -0.229 3.891 4.120 0.000 0.000 0.246 63 V C 2.426 178.559 176.094 0.065 0.000 1.047 63 V CA 1.643 63.985 62.300 0.071 0.000 1.035 63 V CB -0.708 30.951 31.823 -0.273 0.000 0.658 63 V HN 0.227 nan 8.190 nan 0.000 0.452 64 R N 0.047 120.577 120.500 0.051 0.000 2.152 64 R HA -0.170 4.170 4.340 0.000 0.000 0.232 64 R C 1.734 178.116 176.300 0.137 0.000 1.117 64 R CA 1.606 57.782 56.100 0.125 0.000 0.981 64 R CB -0.293 30.069 30.300 0.104 0.000 0.870 64 R HN 0.505 nan 8.270 nan 0.000 0.451 65 D N -1.189 119.318 120.400 0.179 0.000 2.340 65 D HA 0.045 4.685 4.640 0.000 0.000 0.220 65 D C 0.650 177.031 176.300 0.135 0.000 1.039 65 D CA 0.761 54.872 54.000 0.185 0.000 0.866 65 D CB 0.446 41.410 40.800 0.275 0.000 0.913 65 D HN 0.333 nan 8.370 nan 0.000 0.523 66 G N -0.598 108.281 108.800 0.132 0.000 2.138 66 G HA2 -0.245 3.715 3.960 0.000 0.000 0.193 66 G HA3 -0.245 3.715 3.960 0.000 0.000 0.193 66 G C -0.285 174.596 174.900 -0.032 0.000 0.998 66 G CA -0.296 44.825 45.100 0.035 0.000 0.668 66 G HN 0.279 nan 8.290 nan 0.000 0.516 67 Y N 0.872 121.237 120.300 0.109 0.000 2.334 67 Y HA 0.647 5.197 4.550 0.000 0.000 0.328 67 Y C 0.854 176.831 175.900 0.127 0.000 1.130 67 Y CA 0.042 58.204 58.100 0.103 0.000 1.163 67 Y CB 1.570 40.077 38.460 0.079 0.000 1.207 67 Y HN 0.422 nan 8.280 nan 0.000 0.471 68 A N 2.407 125.404 122.820 0.297 0.000 2.316 68 A HA 0.662 4.982 4.320 0.000 0.000 0.284 68 A C -0.945 176.808 177.584 0.282 0.000 1.115 68 A CA -0.507 51.677 52.037 0.245 0.000 0.812 68 A CB 0.383 19.517 19.000 0.223 0.000 1.064 68 A HN 0.536 nan 8.150 nan 0.000 0.489 69 V N 2.673 122.748 119.914 0.269 0.000 2.540 69 V HA 0.435 4.555 4.120 0.000 0.000 0.302 69 V C -0.520 175.726 176.094 0.253 0.000 1.035 69 V CA -0.460 61.984 62.300 0.240 0.000 0.873 69 V CB 1.715 33.647 31.823 0.182 0.000 0.992 69 V HN 0.651 nan 8.190 nan 0.000 0.428 70 V N 6.364 126.387 119.914 0.181 0.000 2.384 70 V HA 0.550 4.670 4.120 0.000 0.000 0.287 70 V C -0.296 175.826 176.094 0.047 0.000 1.020 70 V CA -0.393 62.021 62.300 0.189 0.000 0.850 70 V CB 1.667 33.653 31.823 0.270 0.000 0.987 70 V HN 0.677 nan 8.190 nan 0.000 0.436 71 I N 4.539 125.155 120.570 0.076 0.000 2.406 71 I HA 0.518 4.688 4.170 0.000 0.000 0.290 71 I C -0.286 175.817 176.117 -0.024 0.000 0.999 71 I CA -0.390 60.892 61.300 -0.030 0.000 1.124 71 I CB 1.827 39.841 38.000 0.023 0.000 1.289 71 I HN 0.618 nan 8.210 nan 0.000 0.441 72 Q N 4.779 124.526 119.800 -0.089 0.000 2.337 72 Q HA 0.292 4.632 4.340 0.000 0.000 0.266 72 Q C -1.343 174.589 176.000 -0.112 0.000 1.023 72 Q CA -0.863 54.885 55.803 -0.091 0.000 0.829 72 Q CB 2.048 30.738 28.738 -0.080 0.000 1.306 72 Q HN 0.471 nan 8.270 nan 0.000 0.449 73 D N 2.963 123.296 120.400 -0.112 0.000 2.348 73 D HA 0.077 4.717 4.640 0.000 0.000 0.253 73 D C -0.068 176.200 176.300 -0.053 0.000 1.161 73 D CA 0.244 54.191 54.000 -0.089 0.000 0.876 73 D CB 1.199 41.955 40.800 -0.072 0.000 1.160 73 D HN 0.614 nan 8.370 nan 0.000 0.459 74 T N 0.174 114.709 114.554 -0.033 0.000 2.855 74 T HA 0.023 4.374 4.350 0.000 0.000 0.314 74 T C 0.746 175.476 174.700 0.050 0.000 1.077 74 T CA -0.770 61.350 62.100 0.033 0.000 1.095 74 T CB 0.766 69.703 68.868 0.116 0.000 0.987 74 T HN 0.353 nan 8.240 nan 0.000 0.546 75 R N 0.707 121.251 120.500 0.074 0.000 2.494 75 R HA 0.219 4.559 4.340 0.000 0.000 0.291 75 R C 1.572 177.941 176.300 0.115 0.000 0.953 75 R CA 1.396 57.534 56.100 0.062 0.000 1.098 75 R CB -0.885 29.440 30.300 0.042 0.000 0.911 75 R HN 1.244 nan 8.270 nan 0.000 0.407 76 G N 3.295 112.120 108.800 0.042 0.000 2.159 76 G HA2 -0.273 3.688 3.960 0.000 0.000 0.256 76 G HA3 -0.273 3.688 3.960 0.000 0.000 0.256 76 G C -0.150 174.709 174.900 -0.068 0.000 0.977 76 G CA 0.251 45.368 45.100 0.027 0.000 0.652 76 G HN 0.493 nan 8.290 nan 0.000 0.531 77 L N -0.924 120.238 121.223 -0.103 0.000 2.354 77 L HA 0.738 5.078 4.340 0.000 0.000 0.269 77 L C 1.495 178.314 176.870 -0.086 0.000 1.005 77 L CA -1.221 53.479 54.840 -0.233 0.000 0.819 77 L CB 1.108 43.001 42.059 -0.278 0.000 1.311 77 L HN 0.108 nan 8.230 nan 0.000 0.423 78 F N 0.839 120.695 119.950 -0.157 0.000 2.958 78 F HA -0.452 4.075 4.527 0.000 0.000 0.240 78 F C 1.805 177.524 175.800 -0.134 0.000 1.487 78 F CA 1.686 59.603 58.000 -0.138 0.000 1.873 78 F CB -1.350 37.554 39.000 -0.160 0.000 0.531 78 F HN 0.547 nan 8.300 nan 0.000 0.277 79 A N -0.088 122.756 122.820 0.040 0.000 2.206 79 A HA 0.317 4.637 4.320 0.000 0.000 0.211 79 A C 0.917 178.465 177.584 -0.060 0.000 1.158 79 A CA 1.054 53.058 52.037 -0.055 0.000 0.761 79 A CB -0.505 18.401 19.000 -0.158 0.000 0.801 79 A HN 0.375 nan 8.150 nan 0.000 0.473 80 S N 0.594 116.264 115.700 -0.051 0.000 2.601 80 S HA 0.298 4.768 4.470 0.000 0.000 0.271 80 S C 0.220 174.792 174.600 -0.047 0.000 1.305 80 S CA -0.455 57.712 58.200 -0.055 0.000 1.022 80 S CB 0.759 63.931 63.200 -0.046 0.000 0.940 80 S HN 0.598 nan 8.310 nan 0.000 0.525 81 E N 0.371 120.544 120.200 -0.045 0.000 2.385 81 E HA 0.578 4.928 4.350 0.000 0.000 0.254 81 E C 0.730 177.314 176.600 -0.027 0.000 1.228 81 E CA -0.127 56.252 56.400 -0.036 0.000 0.956 81 E CB 0.443 30.122 29.700 -0.035 0.000 1.116 81 E HN 0.831 nan 8.360 nan 0.000 0.507 82 G N 0.299 109.086 108.800 -0.022 0.000 2.627 82 G HA2 -0.157 3.803 3.960 0.000 0.000 0.214 82 G HA3 -0.157 3.803 3.960 0.000 0.000 0.214 82 G C -1.121 173.776 174.900 -0.005 0.000 1.331 82 G CA -0.768 44.324 45.100 -0.014 0.000 0.891 82 G HN 0.394 nan 8.290 nan 0.000 0.539 83 E N -0.854 119.347 120.200 0.002 0.000 2.212 83 E HA 0.567 4.917 4.350 0.000 0.000 0.268 83 E C -1.020 175.604 176.600 0.039 0.000 0.902 83 E CA -0.748 55.661 56.400 0.015 0.000 0.779 83 E CB 2.113 31.810 29.700 -0.006 0.000 1.172 83 E HN 0.510 nan 8.360 nan 0.000 0.409 84 F N 2.582 122.475 119.950 -0.094 0.000 2.411 84 F HA 0.354 4.881 4.527 0.000 0.000 0.350 84 F C -0.820 174.910 175.800 -0.117 0.000 1.114 84 F CA -0.485 57.446 58.000 -0.115 0.000 1.135 84 F CB 0.667 39.573 39.000 -0.157 0.000 1.120 84 F HN 0.081 nan 8.300 nan 0.000 0.495 85 V N 7.375 126.739 119.914 -0.918 0.000 2.623 85 V HA 0.342 4.463 4.120 0.000 0.000 0.304 85 V C -2.337 173.051 176.094 -1.175 0.000 1.054 85 V CA -1.971 59.788 62.300 -0.902 0.000 0.882 85 V CB 1.807 33.408 31.823 -0.371 0.000 1.002 85 V HN 0.636 nan 8.190 nan 0.000 0.424 86 P HA 0.190 nan 4.420 nan 0.000 0.265 86 P C 0.323 177.274 177.300 -0.582 0.000 1.193 86 P CA 0.711 63.178 63.100 -1.054 0.000 0.765 86 P CB 0.169 30.948 31.700 -1.535 0.000 0.823 87 H N -0.371 118.681 119.070 -0.030 0.000 4.880 87 H HA -0.190 4.366 4.556 0.000 0.000 0.084 87 H C 1.368 176.696 175.328 -0.001 0.000 0.577 87 H CA 1.869 57.933 56.048 0.026 0.000 1.124 87 H CB -2.297 27.549 29.762 0.140 0.000 0.507 87 H HN 0.362 nan 8.280 nan 0.000 0.707 88 V N -0.789 119.158 119.914 0.055 0.000 2.759 88 V HA -0.038 4.082 4.120 0.000 0.000 0.256 88 V C 1.599 177.699 176.094 0.011 0.000 1.080 88 V CA 2.484 64.805 62.300 0.034 0.000 1.101 88 V CB 0.015 31.837 31.823 -0.003 0.000 0.698 88 V HN 0.292 nan 8.190 nan 0.000 0.477 89 D N -0.264 120.130 120.400 -0.010 0.000 2.407 89 D HA 0.043 4.683 4.640 0.000 0.000 0.208 89 D C 1.369 177.681 176.300 0.019 0.000 1.083 89 D CA 0.500 54.498 54.000 -0.004 0.000 0.844 89 D CB 0.234 41.018 40.800 -0.026 0.000 0.967 89 D HN 0.496 nan 8.370 nan 0.000 0.506 90 D N 1.353 121.776 120.400 0.039 0.000 2.224 90 D HA -0.095 4.546 4.640 0.000 0.000 0.205 90 D C 1.698 178.019 176.300 0.035 0.000 0.965 90 D CA 0.658 54.686 54.000 0.046 0.000 0.852 90 D CB 0.337 41.173 40.800 0.059 0.000 0.947 90 D HN 0.375 nan 8.370 nan 0.000 0.494 91 E N 0.928 121.152 120.200 0.039 0.000 2.031 91 E HA -0.128 4.222 4.350 0.000 0.000 0.193 91 E C 2.161 178.779 176.600 0.029 0.000 0.994 91 E CA 0.932 57.354 56.400 0.038 0.000 0.800 91 E CB 0.020 29.746 29.700 0.043 0.000 0.752 91 E HN 0.147 nan 8.360 nan 0.000 0.447 92 A N 1.599 124.434 122.820 0.024 0.000 1.873 92 A HA -0.197 4.123 4.320 0.000 0.000 0.215 92 A C 1.724 179.318 177.584 0.016 0.000 1.186 92 A CA 1.704 53.752 52.037 0.019 0.000 0.616 92 A CB -0.388 18.620 19.000 0.014 0.000 0.823 92 A HN 0.091 nan 8.150 nan 0.000 0.442 93 D N 0.149 120.557 120.400 0.013 0.000 2.144 93 D HA -0.041 4.599 4.640 0.000 0.000 0.199 93 D C 2.170 178.476 176.300 0.010 0.000 0.984 93 D CA 1.463 55.468 54.000 0.007 0.000 0.834 93 D CB -0.363 40.441 40.800 0.006 0.000 0.955 93 D HN 0.424 nan 8.370 nan 0.000 0.465 94 A N 0.708 123.537 122.820 0.015 0.000 1.898 94 A HA -0.191 4.129 4.320 0.000 0.000 0.216 94 A C 2.121 179.721 177.584 0.026 0.000 1.181 94 A CA 1.596 53.642 52.037 0.015 0.000 0.620 94 A CB -0.548 18.458 19.000 0.009 0.000 0.819 94 A HN 0.234 nan 8.150 nan 0.000 0.442 95 E N -0.196 120.020 120.200 0.027 0.000 2.058 95 E HA -0.250 4.100 4.350 0.000 0.000 0.194 95 E C 1.235 177.860 176.600 0.042 0.000 0.997 95 E CA 1.513 57.931 56.400 0.031 0.000 0.801 95 E CB -0.123 29.594 29.700 0.027 0.000 0.746 95 E HN 0.535 nan 8.360 nan 0.000 0.450 96 D N -0.458 119.966 120.400 0.040 0.000 2.144 96 D HA -0.102 4.538 4.640 0.000 0.000 0.200 96 D C 1.905 178.260 176.300 0.091 0.000 0.978 96 D CA 1.330 55.363 54.000 0.055 0.000 0.833 96 D CB -0.450 40.368 40.800 0.030 0.000 0.961 96 D HN 0.168 nan 8.370 nan 0.000 0.470 97 T N 1.014 115.610 114.554 0.069 0.000 2.737 97 T HA -0.034 4.316 4.350 0.000 0.000 0.265 97 T C 2.227 177.034 174.700 0.178 0.000 1.038 97 T CA 0.496 62.660 62.100 0.106 0.000 1.144 97 T CB -0.244 68.650 68.868 0.043 0.000 0.866 97 T HN 0.103 nan 8.240 nan 0.000 0.434 98 L N 0.862 122.148 121.223 0.106 0.000 2.083 98 L HA -0.110 4.230 4.340 0.000 0.000 0.209 98 L C 2.861 179.775 176.870 0.074 0.000 1.083 98 L CA 0.974 55.864 54.840 0.082 0.000 0.752 98 L CB -0.585 41.499 42.059 0.043 0.000 0.899 98 L HN 0.232 nan 8.230 nan 0.000 0.433 99 S N -1.030 114.718 115.700 0.082 0.000 2.356 99 S HA -0.242 4.229 4.470 0.000 0.000 0.223 99 S C 1.524 176.167 174.600 0.073 0.000 1.032 99 S CA 1.461 59.696 58.200 0.058 0.000 1.005 99 S CB -0.496 62.740 63.200 0.061 0.000 0.867 99 S HN 0.557 nan 8.310 nan 0.000 0.449 100 W N 2.241 123.516 121.300 -0.042 0.000 2.335 100 W HA -0.118 4.542 4.660 0.001 0.000 0.311 100 W C 1.735 178.190 176.519 -0.107 0.000 1.213 100 W CA 1.218 58.532 57.345 -0.052 0.000 1.274 100 W CB -0.474 28.978 29.460 -0.014 0.000 1.148 100 W HN 0.188 nan 8.180 nan 0.000 0.498 101 I N 0.408 121.018 120.570 0.065 0.000 2.163 101 I HA -0.366 3.804 4.170 0.000 0.000 0.243 101 I C 2.424 178.255 176.117 -0.476 0.000 1.085 101 I CA 1.504 62.645 61.300 -0.266 0.000 1.347 101 I CB -0.779 37.249 38.000 0.047 0.000 1.044 101 I HN 0.006 nan 8.210 nan 0.000 0.408 102 L N 0.154 121.223 121.223 -0.256 0.000 2.191 102 L HA -0.206 4.134 4.340 0.000 0.000 0.212 102 L C 2.261 178.949 176.870 -0.303 0.000 1.103 102 L CA 1.287 55.985 54.840 -0.236 0.000 0.769 102 L CB -0.470 41.517 42.059 -0.121 0.000 0.908 102 L HN 0.302 nan 8.230 nan 0.000 0.438 103 E N -0.931 119.050 120.200 -0.365 0.000 2.371 103 E HA -0.050 4.300 4.350 0.000 0.000 0.194 103 E C 0.417 176.717 176.600 -0.500 0.000 1.012 103 E CA -0.030 56.155 56.400 -0.359 0.000 0.860 103 E CB 0.241 29.765 29.700 -0.294 0.000 0.811 103 E HN 0.407 nan 8.360 nan 0.000 0.502 104 Q N -0.016 119.308 119.800 -0.793 0.000 2.373 104 Q HA 0.125 4.466 4.340 0.000 0.000 0.255 104 Q C 0.940 176.494 176.000 -0.743 0.000 0.980 104 Q CA 0.099 55.316 55.803 -0.977 0.000 0.882 104 Q CB 0.962 28.630 28.738 -1.783 0.000 1.249 104 Q HN 0.106 nan 8.270 nan 0.000 0.438 105 A N 3.246 125.775 122.820 -0.485 0.000 1.986 105 A HA -0.165 4.155 4.320 0.000 0.000 0.220 105 A C 1.358 178.855 177.584 -0.146 0.000 1.171 105 A CA 1.702 53.610 52.037 -0.215 0.000 0.640 105 A CB -0.659 18.320 19.000 -0.036 0.000 0.811 105 A HN 0.886 nan 8.150 nan 0.000 0.451 106 W N -2.385 118.868 121.300 -0.079 0.000 3.290 106 W HA 0.371 5.031 4.660 0.000 0.000 0.287 106 W C 0.434 176.928 176.519 -0.042 0.000 1.288 106 W CA -0.400 56.919 57.345 -0.043 0.000 1.725 106 W CB -1.409 28.041 29.460 -0.016 0.000 1.103 106 W HN 0.306 nan 8.180 nan 0.000 0.670 107 C N 5.332 124.450 119.300 -0.303 0.000 2.295 107 C HA 0.204 4.664 4.460 0.000 0.000 0.331 107 C C 1.472 176.382 174.990 -0.134 0.000 1.280 107 C CA -0.435 58.457 59.018 -0.209 0.000 1.746 107 C CB 0.440 27.913 27.740 -0.445 0.000 2.328 107 C HN 0.367 nan 8.230 nan 0.000 0.521 108 D N 2.440 122.809 120.400 -0.052 0.000 2.319 108 D HA 0.200 4.840 4.640 0.000 0.000 0.230 108 D C 1.369 177.636 176.300 -0.054 0.000 1.094 108 D CA 0.702 54.673 54.000 -0.048 0.000 0.856 108 D CB -0.246 40.538 40.800 -0.026 0.000 0.915 108 D HN 1.268 nan 8.370 nan 0.000 0.517 109 G N -0.074 108.684 108.800 -0.069 0.000 2.176 109 G HA2 -0.234 3.726 3.960 0.000 0.000 0.232 109 G HA3 -0.234 3.726 3.960 0.000 0.000 0.232 109 G C -0.250 174.631 174.900 -0.031 0.000 0.986 109 G CA -0.283 44.782 45.100 -0.059 0.000 0.643 109 G HN 0.420 nan 8.290 nan 0.000 0.522 110 N N 0.259 118.950 118.700 -0.015 0.000 2.442 110 N HA 0.544 5.284 4.740 0.000 0.000 0.274 110 N C -0.689 174.835 175.510 0.023 0.000 1.002 110 N CA -0.190 52.866 53.050 0.010 0.000 0.910 110 N CB 2.586 41.087 38.487 0.024 0.000 1.244 110 N HN 0.107 nan 8.380 nan 0.000 0.492 111 V N 0.484 120.407 119.914 0.016 0.000 2.680 111 V HA 0.811 4.931 4.120 0.000 0.000 0.309 111 V C 0.603 176.691 176.094 -0.010 0.000 1.052 111 V CA -0.724 61.583 62.300 0.012 0.000 0.908 111 V CB 1.940 33.771 31.823 0.013 0.000 1.001 111 V HN 0.727 nan 8.190 nan 0.000 0.431 112 G N 2.812 111.564 108.800 -0.079 0.000 2.730 112 G HA2 0.852 4.813 3.960 0.000 0.000 0.289 112 G HA3 0.852 4.813 3.960 0.000 0.000 0.289 112 G C -1.291 173.561 174.900 -0.081 0.000 1.341 112 G CA -0.837 44.201 45.100 -0.104 0.000 0.932 112 G HN 0.521 nan 8.290 nan 0.000 0.481 113 M N -0.309 119.319 119.600 0.047 0.000 2.619 113 M HA 0.686 5.166 4.480 0.000 0.000 0.297 113 M C -1.194 175.308 176.300 0.336 0.000 1.229 113 M CA -0.625 54.713 55.300 0.062 0.000 0.860 113 M CB 2.801 35.374 32.600 -0.045 0.000 1.741 113 M HN 0.662 nan 8.290 nan 0.000 0.462 114 F N -1.092 118.901 119.950 0.073 0.000 2.741 114 F HA 0.980 5.507 4.527 0.000 0.000 0.313 114 F C -0.509 175.310 175.800 0.031 0.000 1.153 114 F CA -0.630 57.480 58.000 0.184 0.000 0.931 114 F CB 1.244 40.497 39.000 0.422 0.000 1.335 114 F HN 0.847 nan 8.300 nan 0.000 0.460 115 G N 0.053 108.932 108.800 0.131 0.000 2.340 115 G HA2 0.449 4.409 3.960 0.000 0.000 0.527 115 G HA3 0.449 4.409 3.960 0.000 0.000 0.527 115 G C -2.637 172.251 174.900 -0.021 0.000 1.381 115 G CA -0.290 44.756 45.100 -0.090 0.000 1.001 115 G HN 1.586 nan 8.290 nan 0.000 0.626 116 V N 0.212 120.106 119.914 -0.034 0.000 2.715 116 V HA 0.822 4.942 4.120 0.000 0.000 0.310 116 V C 1.353 177.449 176.094 0.003 0.000 1.054 116 V CA 1.801 64.103 62.300 0.004 0.000 0.928 116 V CB 1.189 33.033 31.823 0.034 0.000 1.007 116 V HN 2.957 nan 8.190 nan 0.000 0.437 117 S N 4.166 119.833 115.700 -0.055 0.000 4.139 117 S HA -0.383 4.088 4.470 0.000 0.000 0.603 117 S C 1.086 175.638 174.600 -0.080 0.000 1.897 117 S CA 2.138 60.268 58.200 -0.117 0.000 4.241 117 S CB -1.770 61.642 63.200 0.355 0.000 0.221 117 S HN 1.362 nan 8.310 nan 0.000 0.488 118 Y N 1.778 122.128 120.300 0.084 0.000 2.256 118 Y HA 0.008 4.559 4.550 0.000 0.000 0.288 118 Y C 1.957 177.857 175.900 0.001 0.000 1.155 118 Y CA 2.156 60.329 58.100 0.123 0.000 1.203 118 Y CB -0.243 38.389 38.460 0.287 0.000 0.980 118 Y HN 0.403 nan 8.280 nan 0.000 0.530 119 L N -0.893 120.379 121.223 0.081 0.000 2.552 119 L HA 0.040 4.380 4.340 0.000 0.000 0.227 119 L C 2.345 179.113 176.870 -0.171 0.000 1.146 119 L CA 1.381 56.139 54.840 -0.137 0.000 0.858 119 L CB -0.895 40.943 42.059 -0.368 0.000 0.969 119 L HN 0.265 nan 8.230 nan 0.000 0.451 120 G N -1.694 107.027 108.800 -0.131 0.000 2.559 120 G HA2 -0.013 3.947 3.960 0.000 0.000 0.209 120 G HA3 -0.013 3.947 3.960 0.000 0.000 0.209 120 G C 1.484 176.314 174.900 -0.117 0.000 1.151 120 G CA 0.431 45.450 45.100 -0.136 0.000 0.824 120 G HN 0.114 nan 8.290 nan 0.000 0.543 121 V N 2.434 122.287 119.914 -0.102 0.000 2.392 121 V HA -0.203 3.917 4.120 0.000 0.000 0.249 121 V C 3.283 179.347 176.094 -0.051 0.000 1.059 121 V CA 2.453 64.736 62.300 -0.029 0.000 1.051 121 V CB -1.020 30.714 31.823 -0.149 0.000 0.658 121 V HN 0.617 nan 8.190 nan 0.000 0.455 122 T N -2.080 112.383 114.554 -0.152 0.000 3.007 122 T HA -0.208 4.142 4.350 0.000 0.000 0.270 122 T C 1.664 176.314 174.700 -0.083 0.000 1.107 122 T CA 1.226 63.259 62.100 -0.111 0.000 1.118 122 T CB -0.259 68.542 68.868 -0.110 0.000 0.889 122 T HN 0.580 nan 8.240 nan 0.000 0.506 123 Q N -0.171 119.543 119.800 -0.144 0.000 2.137 123 Q HA 0.022 4.362 4.340 0.000 0.000 0.198 123 Q C 1.928 177.805 176.000 -0.205 0.000 0.960 123 Q CA 1.175 56.847 55.803 -0.218 0.000 0.847 123 Q CB -0.242 28.289 28.738 -0.345 0.000 0.915 123 Q HN 0.702 nan 8.270 nan 0.000 0.448 124 W N 1.496 122.785 121.300 -0.017 0.000 2.388 124 W HA -0.137 4.523 4.660 0.000 0.000 0.294 124 W C 2.288 178.802 176.519 -0.007 0.000 1.212 124 W CA 0.579 57.921 57.345 -0.005 0.000 1.271 124 W CB 0.021 29.483 29.460 0.003 0.000 1.126 124 W HN 0.187 nan 8.180 nan 0.000 0.535 125 Q N 0.081 119.993 119.800 0.187 0.000 2.124 125 Q HA -0.187 4.153 4.340 0.000 0.000 0.202 125 Q C 2.440 178.483 176.000 0.071 0.000 0.977 125 Q CA 1.722 57.589 55.803 0.107 0.000 0.850 125 Q CB -0.585 28.191 28.738 0.062 0.000 0.901 125 Q HN 0.331 nan 8.270 nan 0.000 0.429 126 A N 0.958 123.800 122.820 0.037 0.000 1.898 126 A HA -0.045 4.275 4.320 0.000 0.000 0.216 126 A C 2.277 179.880 177.584 0.031 0.000 1.181 126 A CA 1.397 53.445 52.037 0.018 0.000 0.620 126 A CB -0.667 18.324 19.000 -0.016 0.000 0.819 126 A HN 0.384 nan 8.150 nan 0.000 0.442 127 A N 0.005 122.851 122.820 0.044 0.000 1.969 127 A HA 0.027 4.347 4.320 0.000 0.000 0.218 127 A C 2.079 179.715 177.584 0.087 0.000 1.169 127 A CA 1.766 53.840 52.037 0.062 0.000 0.635 127 A CB -1.000 18.052 19.000 0.086 0.000 0.810 127 A HN 1.138 nan 8.150 nan 0.000 0.445 128 V N -1.301 118.675 119.914 0.103 0.000 3.573 128 V HA -0.026 4.094 4.120 0.000 0.000 0.270 128 V C 1.979 178.104 176.094 0.051 0.000 1.221 128 V CA 1.618 63.965 62.300 0.078 0.000 1.163 128 V CB -0.984 30.888 31.823 0.081 0.000 0.847 128 V HN 0.624 nan 8.190 nan 0.000 0.468 129 S N 0.509 116.236 115.700 0.045 0.000 2.481 129 S HA 0.228 4.698 4.470 0.000 0.000 0.231 129 S C 1.889 176.504 174.600 0.026 0.000 0.996 129 S CA 0.965 59.185 58.200 0.033 0.000 0.942 129 S CB -0.332 62.886 63.200 0.030 0.000 0.768 129 S HN 1.821 nan 8.310 nan 0.000 0.520 130 G N 0.353 109.169 108.800 0.026 0.000 2.143 130 G HA2 -0.237 3.723 3.960 0.000 0.000 0.249 130 G HA3 -0.237 3.723 3.960 0.000 0.000 0.249 130 G C 0.028 174.937 174.900 0.014 0.000 0.981 130 G CA 0.043 45.154 45.100 0.019 0.000 0.665 130 G HN 0.762 nan 8.290 nan 0.000 0.528 131 V N 1.447 121.370 119.914 0.015 0.000 2.403 131 V HA 0.403 4.523 4.120 0.000 0.000 0.265 131 V C 2.065 178.163 176.094 0.006 0.000 1.034 131 V CA 0.992 63.298 62.300 0.010 0.000 1.036 131 V CB 0.562 32.392 31.823 0.012 0.000 1.032 131 V HN 0.583 nan 8.190 nan 0.000 0.478 132 G N 4.500 113.302 108.800 0.002 0.000 2.450 132 G HA2 -0.178 3.782 3.960 0.000 0.000 0.220 132 G HA3 -0.178 3.782 3.960 0.000 0.000 0.220 132 G C 1.477 176.376 174.900 -0.001 0.000 1.130 132 G CA 0.793 45.893 45.100 0.000 0.000 0.760 132 G HN 0.864 nan 8.290 nan 0.000 0.557 133 G N -0.234 108.562 108.800 -0.006 0.000 2.598 133 G HA2 0.113 4.073 3.960 0.000 0.000 0.215 133 G HA3 0.113 4.073 3.960 0.000 0.000 0.215 133 G C 0.629 175.529 174.900 0.000 0.000 1.131 133 G CA -0.142 44.953 45.100 -0.009 0.000 0.785 133 G HN 0.402 nan 8.290 nan 0.000 0.539 134 L N 1.097 122.323 121.223 0.005 0.000 2.407 134 L HA 0.350 4.690 4.340 0.000 0.000 0.282 134 L C 0.998 177.875 176.870 0.012 0.000 1.110 134 L CA -0.233 54.612 54.840 0.009 0.000 0.863 134 L CB 0.679 42.743 42.059 0.007 0.000 1.207 134 L HN -0.165 nan 8.230 nan 0.000 0.454 135 K N 4.150 124.563 120.400 0.022 0.000 2.352 135 K HA 0.500 4.820 4.320 0.000 0.000 0.194 135 K C 0.067 176.668 176.600 0.002 0.000 1.038 135 K CA 0.603 56.903 56.287 0.021 0.000 1.023 135 K CB 0.459 32.986 32.500 0.046 0.000 0.840 135 K HN 0.601 nan 8.250 nan 0.000 0.519 136 A N 1.111 123.964 122.820 0.056 0.000 2.599 136 A HA 0.608 4.928 4.320 0.000 0.000 0.294 136 A C -1.178 176.544 177.584 0.231 0.000 1.055 136 A CA -0.959 51.149 52.037 0.118 0.000 0.683 136 A CB 0.830 19.907 19.000 0.130 0.000 1.278 136 A HN 0.165 nan 8.150 nan 0.000 0.412 137 I N -2.173 118.524 120.570 0.212 0.000 3.042 137 I HA 0.961 5.131 4.170 0.000 0.000 0.310 137 I C -0.088 176.088 176.117 0.099 0.000 1.117 137 I CA -1.101 60.262 61.300 0.105 0.000 1.003 137 I CB 2.580 40.454 38.000 -0.211 0.000 1.228 137 I HN 1.189 nan 8.210 nan 0.000 0.443 138 A N 3.276 126.137 122.820 0.069 0.000 3.266 138 A HA 0.610 4.930 4.320 0.000 0.000 0.310 138 A C -2.883 174.713 177.584 0.021 0.000 1.066 138 A CA -1.167 50.869 52.037 -0.001 0.000 0.839 138 A CB -0.066 19.027 19.000 0.154 0.000 1.192 138 A HN 0.522 nan 8.150 nan 0.000 0.496 139 P HA 0.241 nan 4.420 nan 0.000 0.287 139 P C -0.139 177.172 177.300 0.019 0.000 1.294 139 P CA 0.295 63.327 63.100 -0.112 0.000 0.776 139 P CB 1.550 33.065 31.700 -0.308 0.000 0.889 140 S N 5.024 120.747 115.700 0.039 0.000 2.451 140 S HA 0.492 4.962 4.470 0.000 0.000 0.301 140 S C 0.580 175.175 174.600 -0.008 0.000 1.116 140 S CA -0.429 57.807 58.200 0.061 0.000 1.093 140 S CB -0.255 63.008 63.200 0.104 0.000 1.017 140 S HN 0.372 nan 8.310 nan 0.000 0.482 141 M N 1.426 121.033 119.600 0.012 0.000 2.253 141 M HA -0.199 4.281 4.480 0.000 0.000 0.195 141 M C 0.021 176.109 176.300 -0.353 0.000 0.512 141 M CA 0.939 56.216 55.300 -0.038 0.000 0.442 141 M CB -3.192 29.427 32.600 0.033 0.000 1.189 141 M HN 0.682 nan 8.290 nan 0.000 0.923 142 A N -0.120 122.614 122.820 -0.144 0.000 2.387 142 A HA 0.933 5.254 4.320 0.000 0.000 0.298 142 A C 0.071 177.746 177.584 0.152 0.000 1.165 142 A CA 0.071 52.019 52.037 -0.148 0.000 0.814 142 A CB 2.194 21.239 19.000 0.076 0.000 1.357 142 A HN 0.598 nan 8.150 nan 0.000 0.443 143 S N -1.905 113.924 115.700 0.215 0.000 2.546 143 S HA 0.600 5.070 4.470 0.000 0.000 0.274 143 S C -0.088 174.558 174.600 0.076 0.000 1.121 143 S CA 0.267 58.577 58.200 0.184 0.000 0.887 143 S CB 1.714 65.061 63.200 0.244 0.000 1.094 143 S HN 1.913 nan 8.310 nan 0.000 0.474 144 A N 2.086 124.859 122.820 -0.079 0.000 2.430 144 A HA 0.396 4.716 4.320 0.000 0.000 0.243 144 A C 0.055 177.650 177.584 0.017 0.000 1.254 144 A CA -0.012 51.956 52.037 -0.116 0.000 0.914 144 A CB 0.026 18.790 19.000 -0.394 0.000 0.998 144 A HN 0.677 nan 8.150 nan 0.000 0.515 145 D N 0.501 120.899 120.400 -0.004 0.000 2.358 145 D HA 0.256 4.896 4.640 0.000 0.000 0.253 145 D C 0.527 176.815 176.300 -0.019 0.000 1.288 145 D CA -0.394 53.606 54.000 -0.000 0.000 0.950 145 D CB 0.878 41.627 40.800 -0.086 0.000 1.197 145 D HN -0.063 nan 8.370 nan 0.000 0.550 146 L N 3.110 124.359 121.223 0.044 0.000 2.201 146 L HA -0.127 4.213 4.340 0.000 0.000 0.212 146 L C 1.913 178.755 176.870 -0.047 0.000 1.105 146 L CA 1.184 56.038 54.840 0.024 0.000 0.775 146 L CB -1.429 40.752 42.059 0.202 0.000 0.913 146 L HN 0.554 nan 8.230 nan 0.000 0.440 147 Y N 1.308 121.440 120.300 -0.280 0.000 2.114 147 Y HA -0.235 4.315 4.550 0.000 0.000 0.284 147 Y C 2.858 178.549 175.900 -0.347 0.000 1.143 147 Y CA 1.727 59.424 58.100 -0.672 0.000 1.135 147 Y CB -0.042 37.922 38.460 -0.828 0.000 0.980 147 Y HN 0.034 nan 8.280 nan 0.000 0.499 148 R N 0.108 120.558 120.500 -0.085 0.000 2.115 148 R HA 0.180 4.521 4.340 0.000 0.000 0.230 148 R C -0.049 176.126 176.300 -0.208 0.000 1.111 148 R CA 0.765 56.793 56.100 -0.120 0.000 0.976 148 R CB -0.058 30.178 30.300 -0.107 0.000 0.870 148 R HN 0.264 nan 8.270 nan 0.000 0.445 149 A N 0.092 122.755 122.820 -0.262 0.000 2.555 149 A HA 0.343 4.663 4.320 0.000 0.000 0.297 149 A C -2.484 174.757 177.584 -0.571 0.000 1.060 149 A CA -1.155 50.623 52.037 -0.431 0.000 0.710 149 A CB 1.609 20.388 19.000 -0.369 0.000 1.282 149 A HN -0.110 nan 8.150 nan 0.000 0.399 150 P HA 0.135 nan 4.420 nan 0.000 0.267 150 P C 0.422 177.319 177.300 -0.672 0.000 1.289 150 P CA 0.320 62.753 63.100 -1.112 0.000 0.866 150 P CB -0.015 30.762 31.700 -1.539 0.000 1.309 151 W N -1.385 119.782 121.300 -0.221 0.000 2.525 151 W HA 0.066 4.726 4.660 0.000 0.000 0.288 151 W C 1.504 177.712 176.519 -0.518 0.000 1.200 151 W CA -0.020 57.186 57.345 -0.232 0.000 1.349 151 W CB -0.451 29.017 29.460 0.015 0.000 1.102 151 W HN -0.117 nan 8.180 nan 0.000 0.558 152 Y N -0.682 119.348 120.300 -0.450 0.000 2.603 152 Y HA 0.686 5.236 4.550 0.000 0.000 0.165 152 Y C 0.968 176.614 175.900 -0.424 0.000 1.186 152 Y CA 0.230 57.953 58.100 -0.629 0.000 1.600 152 Y CB 0.107 37.632 38.460 -1.559 0.000 1.092 152 Y HN -0.241 nan 8.280 nan 0.000 0.430 153 G N -1.152 107.462 108.800 -0.311 0.000 2.328 153 G HA2 0.219 4.179 3.960 0.000 0.000 0.295 153 G HA3 0.219 4.179 3.960 0.000 0.000 0.295 153 G C -2.671 172.188 174.900 -0.068 0.000 1.413 153 G CA -0.667 44.354 45.100 -0.131 0.000 0.817 153 G HN 0.079 nan 8.290 nan 0.000 0.546 154 P HA 0.033 nan 4.420 nan 0.000 0.225 154 P C 1.469 178.746 177.300 -0.039 0.000 1.148 154 P CA 1.556 64.635 63.100 -0.035 0.000 0.779 154 P CB 0.165 31.839 31.700 -0.043 0.000 0.780 155 G N -0.984 107.772 108.800 -0.074 0.000 2.986 155 G HA2 0.288 4.248 3.960 0.000 0.000 0.213 155 G HA3 0.288 4.248 3.960 0.000 0.000 0.213 155 G C 1.079 175.952 174.900 -0.045 0.000 1.156 155 G CA 0.390 45.445 45.100 -0.074 0.000 0.763 155 G HN 0.409 nan 8.290 nan 0.000 0.547 156 G N -1.098 107.651 108.800 -0.085 0.000 2.137 156 G HA2 0.163 4.124 3.960 0.000 0.000 0.237 156 G HA3 0.163 4.124 3.960 0.000 0.000 0.237 156 G C 0.307 175.215 174.900 0.013 0.000 1.002 156 G CA 0.220 45.200 45.100 -0.201 0.000 0.702 156 G HN 1.340 nan 8.290 nan 0.000 0.515 157 A N -0.492 122.332 122.820 0.006 0.000 2.324 157 A HA 0.845 5.165 4.320 0.000 0.000 0.330 157 A C 0.158 177.806 177.584 0.107 0.000 1.165 157 A CA -0.496 51.591 52.037 0.083 0.000 0.813 157 A CB 1.337 20.285 19.000 -0.085 0.000 1.197 157 A HN 1.555 nan 8.150 nan 0.000 0.484 158 L N 2.050 123.288 121.223 0.024 0.000 2.410 158 L HA 0.284 4.624 4.340 0.000 0.000 0.273 158 L C 0.411 177.204 176.870 -0.128 0.000 1.152 158 L CA 0.691 55.264 54.840 -0.445 0.000 0.855 158 L CB 0.908 42.746 42.059 -0.368 0.000 1.129 158 L HN 0.496 nan 8.230 nan 0.000 0.463 159 S N 4.649 120.234 115.700 -0.193 0.000 3.919 159 S HA 0.032 4.503 4.470 0.000 0.000 0.245 159 S C 1.251 175.810 174.600 -0.068 0.000 1.344 159 S CA 0.027 58.168 58.200 -0.097 0.000 0.896 159 S CB 0.326 63.458 63.200 -0.114 0.000 1.557 159 S HN 0.683 nan 8.310 nan 0.000 0.468 160 V N 3.265 123.139 119.914 -0.067 0.000 2.343 160 V HA -0.232 3.888 4.120 0.000 0.000 0.247 160 V C 2.348 178.428 176.094 -0.023 0.000 1.051 160 V CA 2.511 64.786 62.300 -0.042 0.000 1.036 160 V CB -0.314 31.508 31.823 -0.002 0.000 0.654 160 V HN 0.842 nan 8.190 nan 0.000 0.451 161 E N 1.292 121.452 120.200 -0.067 0.000 2.110 161 E HA -0.094 4.256 4.350 0.000 0.000 0.193 161 E C 2.047 178.760 176.600 0.187 0.000 0.988 161 E CA 1.818 58.223 56.400 0.008 0.000 0.804 161 E CB -0.991 28.690 29.700 -0.031 0.000 0.745 161 E HN 0.554 nan 8.360 nan 0.000 0.458 162 A N 1.120 124.072 122.820 0.220 0.000 1.877 162 A HA -0.102 4.218 4.320 0.000 0.000 0.216 162 A C 2.258 180.154 177.584 0.520 0.000 1.186 162 A CA 1.593 53.894 52.037 0.440 0.000 0.620 162 A CB -0.900 18.244 19.000 0.241 0.000 0.822 162 A HN 0.334 nan 8.150 nan 0.000 0.443 163 L N -0.160 121.293 121.223 0.383 0.000 2.017 163 L HA -0.116 4.224 4.340 0.000 0.000 0.208 163 L C 2.321 179.292 176.870 0.169 0.000 1.073 163 L CA 1.805 56.800 54.840 0.260 0.000 0.745 163 L CB -0.453 41.622 42.059 0.027 0.000 0.894 163 L HN 0.413 nan 8.230 nan 0.000 0.432 164 L N -1.031 120.242 121.223 0.084 0.000 2.072 164 L HA -0.056 4.285 4.340 0.000 0.000 0.205 164 L C 2.532 179.376 176.870 -0.044 0.000 1.079 164 L CA 1.095 55.951 54.840 0.027 0.000 0.752 164 L CB -1.451 40.617 42.059 0.014 0.000 0.906 164 L HN 0.459 nan 8.230 nan 0.000 0.436 165 G N -0.616 108.105 108.800 -0.131 0.000 2.421 165 G HA2 -0.313 3.648 3.960 0.000 0.000 0.216 165 G HA3 -0.313 3.648 3.960 0.000 0.000 0.216 165 G C 1.290 175.659 174.900 -0.885 0.000 1.171 165 G CA 0.476 45.268 45.100 -0.513 0.000 0.775 165 G HN 0.434 nan 8.290 nan 0.000 0.543 166 W N 1.829 122.558 121.300 -0.952 0.000 2.358 166 W HA -0.062 4.598 4.660 0.000 0.000 0.303 166 W C 2.896 179.375 176.519 -0.067 0.000 1.208 166 W CA 1.814 58.932 57.345 -0.379 0.000 1.274 166 W CB -0.237 29.419 29.460 0.326 0.000 1.138 166 W HN 0.194 nan 8.180 nan 0.000 0.515 167 S N 0.390 116.158 115.700 0.113 0.000 2.370 167 S HA -0.232 4.238 4.470 0.000 0.000 0.226 167 S C 1.989 176.507 174.600 -0.136 0.000 1.033 167 S CA 1.641 59.846 58.200 0.007 0.000 1.011 167 S CB -1.045 62.234 63.200 0.131 0.000 0.852 167 S HN 0.392 nan 8.310 nan 0.000 0.457 168 A N 1.070 123.814 122.820 -0.127 0.000 1.930 168 A HA -0.007 4.313 4.320 0.000 0.000 0.217 168 A C 2.124 179.632 177.584 -0.128 0.000 1.175 168 A CA 1.236 53.209 52.037 -0.105 0.000 0.627 168 A CB -0.651 18.307 19.000 -0.069 0.000 0.815 168 A HN 0.408 nan 8.150 nan 0.000 0.443 169 L N -0.174 120.931 121.223 -0.196 0.000 2.017 169 L HA -0.124 4.216 4.340 0.000 0.000 0.208 169 L C 2.163 178.916 176.870 -0.195 0.000 1.073 169 L CA 1.673 56.427 54.840 -0.143 0.000 0.745 169 L CB -0.284 41.715 42.059 -0.100 0.000 0.894 169 L HN 0.330 nan 8.230 nan 0.000 0.432 170 I N -0.254 120.056 120.570 -0.433 0.000 2.315 170 I HA -0.170 4.000 4.170 0.000 0.000 0.248 170 I C 2.546 178.449 176.117 -0.356 0.000 1.117 170 I CA 1.357 62.340 61.300 -0.527 0.000 1.404 170 I CB -2.092 35.324 38.000 -0.972 0.000 1.071 170 I HN 0.417 nan 8.210 nan 0.000 0.419 171 G N 0.743 109.388 108.800 -0.259 0.000 2.476 171 G HA2 -0.284 3.676 3.960 0.000 0.000 0.218 171 G HA3 -0.284 3.676 3.960 0.000 0.000 0.218 171 G C 1.643 176.455 174.900 -0.146 0.000 1.164 171 G CA 1.603 46.595 45.100 -0.179 0.000 0.768 171 G HN 0.339 nan 8.290 nan 0.000 0.560 172 T N 0.966 115.485 114.554 -0.058 0.000 2.720 172 T HA -0.067 4.284 4.350 0.000 0.000 0.268 172 T C 2.478 177.227 174.700 0.082 0.000 1.037 172 T CA 1.522 63.688 62.100 0.111 0.000 1.144 172 T CB -0.609 68.361 68.868 0.169 0.000 0.864 172 T HN 0.380 nan 8.240 nan 0.000 0.444 173 G N 1.266 110.042 108.800 -0.040 0.000 2.418 173 G HA2 -0.114 3.846 3.960 0.000 0.000 0.217 173 G HA3 -0.114 3.846 3.960 0.000 0.000 0.217 173 G C 1.502 176.155 174.900 -0.412 0.000 1.158 173 G CA 0.414 45.423 45.100 -0.152 0.000 0.771 173 G HN 0.441 nan 8.290 nan 0.000 0.545 174 L N 0.075 121.079 121.223 -0.364 0.000 2.083 174 L HA -0.029 4.311 4.340 0.000 0.000 0.209 174 L C 2.834 179.538 176.870 -0.278 0.000 1.083 174 L CA 0.669 55.296 54.840 -0.355 0.000 0.752 174 L CB -0.296 41.599 42.059 -0.274 0.000 0.899 174 L HN 0.226 nan 8.230 nan 0.000 0.433 175 I N -0.885 119.544 120.570 -0.235 0.000 2.163 175 I HA -0.251 3.920 4.170 0.000 0.000 0.240 175 I C 2.487 178.550 176.117 -0.091 0.000 1.081 175 I CA 1.450 62.610 61.300 -0.234 0.000 1.353 175 I CB -0.613 37.069 38.000 -0.530 0.000 1.054 175 I HN 0.190 nan 8.210 nan 0.000 0.407 176 T N 0.227 114.797 114.554 0.027 0.000 2.737 176 T HA -0.168 4.182 4.350 0.000 0.000 0.269 176 T C 1.974 176.597 174.700 -0.127 0.000 1.040 176 T CA 1.802 63.935 62.100 0.055 0.000 1.142 176 T CB -0.212 68.725 68.868 0.115 0.000 0.861 176 T HN 0.266 nan 8.240 nan 0.000 0.456 177 S N 0.625 116.106 115.700 -0.365 0.000 2.515 177 S HA 0.071 4.541 4.470 0.000 0.000 0.231 177 S C 0.867 175.341 174.600 -0.211 0.000 0.987 177 S CA 0.232 58.177 58.200 -0.425 0.000 0.936 177 S CB -0.086 62.715 63.200 -0.664 0.000 0.766 177 S HN 0.460 nan 8.310 nan 0.000 0.528 178 R N 1.667 122.076 120.500 -0.153 0.000 2.522 178 R HA 0.159 4.499 4.340 0.000 0.000 0.284 178 R C 1.099 177.366 176.300 -0.055 0.000 1.032 178 R CA -0.054 55.989 56.100 -0.096 0.000 1.049 178 R CB 0.302 30.551 30.300 -0.085 0.000 0.956 178 R HN 0.163 nan 8.270 nan 0.000 0.422 179 S N 1.412 117.086 115.700 -0.044 0.000 2.348 179 S HA -0.104 4.367 4.470 0.000 0.000 0.221 179 S C 0.414 175.007 174.600 -0.012 0.000 1.033 179 S CA 1.235 59.423 58.200 -0.021 0.000 1.010 179 S CB 0.091 63.279 63.200 -0.019 0.000 0.891 179 S HN 0.592 nan 8.310 nan 0.000 0.442 180 D N 1.360 121.749 120.400 -0.018 0.000 2.303 180 D HA 0.554 5.195 4.640 0.000 0.000 0.236 180 D C -0.353 175.938 176.300 -0.014 0.000 1.068 180 D CA -0.143 53.850 54.000 -0.011 0.000 0.830 180 D CB 1.520 42.312 40.800 -0.012 0.000 1.109 180 D HN 0.258 nan 8.370 nan 0.000 0.496 181 A N 3.715 126.535 122.820 -0.001 0.000 2.540 181 A HA 0.167 4.487 4.320 0.000 0.000 0.239 181 A C 0.543 178.122 177.584 -0.008 0.000 1.061 181 A CA 0.196 52.235 52.037 0.004 0.000 0.758 181 A CB 0.335 19.352 19.000 0.027 0.000 0.991 181 A HN 0.488 nan 8.150 nan 0.000 0.502 182 R N 2.414 122.900 120.500 -0.022 0.000 2.668 182 R HA 0.376 4.716 4.340 0.000 0.000 0.279 182 R C -1.940 174.347 176.300 -0.021 0.000 0.976 182 R CA -1.828 54.254 56.100 -0.030 0.000 0.978 182 R CB 0.792 31.061 30.300 -0.052 0.000 1.133 182 R HN 0.428 nan 8.270 nan 0.000 0.484 183 P HA -0.191 nan 4.420 nan 0.000 0.220 183 P C 0.673 177.964 177.300 -0.015 0.000 1.148 183 P CA 1.114 64.208 63.100 -0.009 0.000 0.803 183 P CB 0.252 31.946 31.700 -0.009 0.000 0.782 184 E N -0.743 119.437 120.200 -0.035 0.000 2.489 184 E HA -0.093 4.257 4.350 0.000 0.000 0.193 184 E C 0.715 177.266 176.600 -0.083 0.000 1.057 184 E CA 0.545 56.916 56.400 -0.048 0.000 0.866 184 E CB -0.727 28.941 29.700 -0.054 0.000 0.916 184 E HN 0.173 nan 8.360 nan 0.000 0.500 185 D N 2.333 122.675 120.400 -0.096 0.000 2.104 185 D HA -0.118 4.523 4.640 0.000 0.000 0.194 185 D C 1.950 178.178 176.300 -0.122 0.000 0.994 185 D CA 2.146 56.028 54.000 -0.197 0.000 0.830 185 D CB -0.306 40.421 40.800 -0.123 0.000 0.959 185 D HN 0.353 nan 8.370 nan 0.000 0.452 186 A N 1.004 123.865 122.820 0.068 0.000 1.883 186 A HA -0.112 4.208 4.320 0.000 0.000 0.217 186 A C 2.317 179.977 177.584 0.128 0.000 1.186 186 A CA 2.605 54.751 52.037 0.181 0.000 0.624 186 A CB -0.834 18.235 19.000 0.115 0.000 0.822 186 A HN 0.255 nan 8.150 nan 0.000 0.444 187 A N -0.431 122.414 122.820 0.042 0.000 1.930 187 A HA -0.128 4.192 4.320 0.000 0.000 0.217 187 A C 1.756 179.341 177.584 0.003 0.000 1.175 187 A CA 1.808 53.860 52.037 0.025 0.000 0.627 187 A CB -0.538 18.465 19.000 0.004 0.000 0.815 187 A HN 0.450 nan 8.150 nan 0.000 0.443 188 D N -0.725 119.633 120.400 -0.070 0.000 2.117 188 D HA -0.114 4.527 4.640 0.000 0.000 0.197 188 D C 1.518 177.763 176.300 -0.093 0.000 0.987 188 D CA 1.035 54.956 54.000 -0.133 0.000 0.829 188 D CB -0.386 40.259 40.800 -0.258 0.000 0.961 188 D HN 0.416 nan 8.370 nan 0.000 0.460 189 F N 0.701 120.641 119.950 -0.018 0.000 2.102 189 F HA -0.154 4.373 4.527 0.000 0.000 0.298 189 F C 2.534 178.330 175.800 -0.008 0.000 1.105 189 F CA 0.440 58.431 58.000 -0.015 0.000 1.239 189 F CB -0.947 38.047 39.000 -0.011 0.000 0.991 189 F HN -0.159 nan 8.300 nan 0.000 0.474 190 V N -0.222 119.810 119.914 0.195 0.000 2.287 190 V HA -0.344 3.776 4.120 0.000 0.000 0.248 190 V C 2.281 178.419 176.094 0.074 0.000 1.053 190 V CA 2.109 64.474 62.300 0.107 0.000 1.027 190 V CB -0.774 31.094 31.823 0.076 0.000 0.646 190 V HN 0.381 nan 8.190 nan 0.000 0.447 191 Q N -0.749 119.083 119.800 0.052 0.000 2.119 191 Q HA -0.125 4.215 4.340 0.000 0.000 0.201 191 Q C 2.294 178.314 176.000 0.032 0.000 0.972 191 Q CA 1.385 57.206 55.803 0.030 0.000 0.847 191 Q CB -0.199 28.544 28.738 0.008 0.000 0.903 191 Q HN 0.559 nan 8.270 nan 0.000 0.433 192 L N 0.041 121.289 121.223 0.041 0.000 2.056 192 L HA -0.165 4.175 4.340 0.000 0.000 0.207 192 L C 2.495 179.399 176.870 0.057 0.000 1.078 192 L CA 0.954 55.818 54.840 0.041 0.000 0.749 192 L CB -0.560 41.530 42.059 0.053 0.000 0.901 192 L HN 0.203 nan 8.230 nan 0.000 0.433 193 A N 0.027 122.894 122.820 0.079 0.000 1.933 193 A HA -0.160 4.160 4.320 0.000 0.000 0.218 193 A C 2.521 180.138 177.584 0.054 0.000 1.175 193 A CA 1.674 53.751 52.037 0.067 0.000 0.628 193 A CB -0.651 18.389 19.000 0.066 0.000 0.814 193 A HN 0.400 nan 8.150 nan 0.000 0.444 194 A N -0.139 122.711 122.820 0.050 0.000 1.930 194 A HA -0.042 4.279 4.320 0.000 0.000 0.217 194 A C 2.096 179.708 177.584 0.046 0.000 1.175 194 A CA 1.429 53.493 52.037 0.045 0.000 0.627 194 A CB -0.536 18.487 19.000 0.038 0.000 0.815 194 A HN 0.505 nan 8.150 nan 0.000 0.443 195 I N -0.468 120.127 120.570 0.041 0.000 2.202 195 I HA -0.237 3.933 4.170 0.000 0.000 0.242 195 I C 2.289 178.438 176.117 0.054 0.000 1.091 195 I CA 1.117 62.441 61.300 0.039 0.000 1.368 195 I CB -0.322 37.691 38.000 0.021 0.000 1.058 195 I HN 0.267 nan 8.210 nan 0.000 0.410 196 L N 0.468 121.724 121.223 0.056 0.000 2.131 196 L HA -0.181 4.159 4.340 0.000 0.000 0.210 196 L C 1.952 178.877 176.870 0.092 0.000 1.092 196 L CA 0.976 55.864 54.840 0.079 0.000 0.759 196 L CB -0.625 41.480 42.059 0.077 0.000 0.903 196 L HN 0.323 nan 8.230 nan 0.000 0.435 197 N N -0.555 118.190 118.700 0.074 0.000 2.494 197 N HA -0.090 4.651 4.740 0.000 0.000 0.182 197 N C 0.058 175.618 175.510 0.082 0.000 1.076 197 N CA 0.835 53.926 53.050 0.068 0.000 0.908 197 N CB 0.105 38.624 38.487 0.053 0.000 0.967 197 N HN 0.234 nan 8.380 nan 0.000 0.449 198 D N -0.531 119.925 120.400 0.095 0.000 3.118 198 D HA 0.108 4.748 4.640 0.000 0.000 0.259 198 D C 0.701 177.062 176.300 0.102 0.000 1.292 198 D CA -0.165 53.899 54.000 0.107 0.000 0.784 198 D CB -0.038 40.809 40.800 0.078 0.000 1.413 198 D HN -0.310 nan 8.370 nan 0.000 0.583 199 V N 1.010 121.013 119.914 0.147 0.000 2.427 199 V HA -0.103 4.017 4.120 0.000 0.000 0.248 199 V C 2.607 178.669 176.094 -0.054 0.000 1.051 199 V CA 2.014 64.364 62.300 0.082 0.000 1.048 199 V CB -0.596 31.319 31.823 0.153 0.000 0.666 199 V HN 0.524 nan 8.190 nan 0.000 0.456 200 A N 0.755 123.476 122.820 -0.165 0.000 1.933 200 A HA -0.080 4.240 4.320 0.000 0.000 0.218 200 A C 2.425 179.998 177.584 -0.018 0.000 1.175 200 A CA 1.916 53.761 52.037 -0.320 0.000 0.628 200 A CB -1.190 17.543 19.000 -0.446 0.000 0.814 200 A HN 0.512 nan 8.150 nan 0.000 0.444 201 G N -0.401 108.423 108.800 0.041 0.000 2.421 201 G HA2 -0.026 3.935 3.960 0.000 0.000 0.216 201 G HA3 -0.026 3.935 3.960 0.000 0.000 0.216 201 G C 1.780 176.724 174.900 0.073 0.000 1.171 201 G CA 1.544 46.689 45.100 0.076 0.000 0.775 201 G HN 0.818 nan 8.290 nan 0.000 0.543 202 A N 1.135 123.985 122.820 0.051 0.000 1.908 202 A HA 0.229 4.549 4.320 0.000 0.000 0.218 202 A C 2.744 180.365 177.584 0.062 0.000 1.181 202 A CA 2.323 54.388 52.037 0.046 0.000 0.627 202 A CB -0.724 18.295 19.000 0.032 0.000 0.818 202 A HN 0.883 nan 8.150 nan 0.000 0.445 203 A N -0.994 121.861 122.820 0.059 0.000 2.119 203 A HA 0.094 4.414 4.320 0.000 0.000 0.217 203 A C 2.180 179.957 177.584 0.320 0.000 1.153 203 A CA 1.542 53.650 52.037 0.118 0.000 0.692 203 A CB -0.457 18.499 19.000 -0.073 0.000 0.799 203 A HN 0.412 nan 8.150 nan 0.000 0.458 204 S N -0.581 115.293 115.700 0.291 0.000 2.496 204 S HA 0.091 4.561 4.470 0.000 0.000 0.224 204 S C 0.629 175.285 174.600 0.093 0.000 0.996 204 S CA 0.029 58.367 58.200 0.228 0.000 0.927 204 S CB -0.113 63.194 63.200 0.178 0.000 0.774 204 S HN 0.275 nan 8.310 nan 0.000 0.524 205 V N 3.829 123.793 119.914 0.084 0.000 2.572 205 V HA 0.241 4.361 4.120 0.000 0.000 0.291 205 V C 0.571 176.688 176.094 0.039 0.000 1.039 205 V CA -0.171 62.158 62.300 0.047 0.000 1.055 205 V CB 0.507 32.355 31.823 0.041 0.000 0.969 205 V HN 0.431 nan 8.190 nan 0.000 0.482 206 T N 3.997 118.563 114.554 0.020 0.000 2.829 206 T HA 0.627 4.978 4.350 0.000 0.000 0.280 206 T C -2.849 171.857 174.700 0.009 0.000 0.999 206 T CA -2.370 59.737 62.100 0.013 0.000 0.983 206 T CB 1.949 70.816 68.868 -0.002 0.000 0.968 206 T HN 0.419 nan 8.240 nan 0.000 0.446 207 P HA 0.183 nan 4.420 nan 0.000 0.271 207 P C 0.855 178.169 177.300 0.023 0.000 1.216 207 P CA -0.768 62.341 63.100 0.015 0.000 0.776 207 P CB 0.571 32.277 31.700 0.011 0.000 0.881 208 L N 3.687 124.930 121.223 0.034 0.000 2.079 208 L HA -0.161 4.179 4.340 0.000 0.000 0.210 208 L C 2.029 178.916 176.870 0.027 0.000 1.081 208 L CA 2.121 56.986 54.840 0.043 0.000 0.752 208 L CB -1.602 40.494 42.059 0.061 0.000 0.896 208 L HN 0.454 nan 8.230 nan 0.000 0.433 209 A N -1.385 121.448 122.820 0.021 0.000 2.209 209 A HA -0.071 4.250 4.320 0.000 0.000 0.212 209 A C 0.979 178.565 177.584 0.002 0.000 1.158 209 A CA 0.333 52.375 52.037 0.009 0.000 0.742 209 A CB -0.635 18.369 19.000 0.008 0.000 0.790 209 A HN 0.565 nan 8.150 nan 0.000 0.472 210 E N 1.332 121.536 120.200 0.007 0.000 2.001 210 E HA 0.232 4.583 4.350 0.000 0.000 0.279 210 E C -0.868 175.736 176.600 0.005 0.000 1.045 210 E CA -0.193 56.209 56.400 0.004 0.000 0.833 210 E CB 0.450 30.152 29.700 0.004 0.000 1.077 210 E HN 0.256 nan 8.360 nan 0.000 0.397 211 Q N 3.283 123.084 119.800 0.001 0.000 2.674 211 Q HA 0.185 4.525 4.340 0.000 0.000 0.249 211 Q C -2.102 173.897 176.000 -0.001 0.000 1.011 211 Q CA -1.827 53.977 55.803 0.002 0.000 0.734 211 Q CB 1.399 30.138 28.738 0.001 0.000 1.201 211 Q HN 0.358 nan 8.270 nan 0.000 0.498 212 P HA -0.174 nan 4.420 nan 0.000 0.214 212 P C 1.422 178.715 177.300 -0.011 0.000 1.163 212 P CA 0.689 63.785 63.100 -0.006 0.000 0.883 212 P CB 0.381 32.078 31.700 -0.006 0.000 0.788 213 L N -1.032 120.184 121.223 -0.013 0.000 1.988 213 L HA -0.100 4.241 4.340 0.000 0.000 0.207 213 L C 2.352 179.210 176.870 -0.022 0.000 1.071 213 L CA 1.783 56.610 54.840 -0.023 0.000 0.744 213 L CB -1.342 40.702 42.059 -0.024 0.000 0.893 213 L HN -0.177 nan 8.230 nan 0.000 0.433 214 L N -0.534 120.682 121.223 -0.011 0.000 2.046 214 L HA -0.104 4.236 4.340 0.000 0.000 0.208 214 L C 2.521 179.401 176.870 0.015 0.000 1.077 214 L CA 1.205 56.045 54.840 0.000 0.000 0.747 214 L CB -1.409 40.655 42.059 0.009 0.000 0.896 214 L HN 0.502 nan 8.230 nan 0.000 0.432 215 G N -0.293 108.512 108.800 0.009 0.000 2.448 215 G HA2 -0.264 3.696 3.960 0.000 0.000 0.219 215 G HA3 -0.264 3.696 3.960 0.000 0.000 0.219 215 G C 1.763 176.670 174.900 0.011 0.000 1.127 215 G CA 0.645 45.752 45.100 0.012 0.000 0.766 215 G HN 0.297 nan 8.290 nan 0.000 0.552 216 R N -0.231 120.268 120.500 -0.002 0.000 2.062 216 R HA 0.194 4.534 4.340 0.000 0.000 0.226 216 R C 2.403 178.696 176.300 -0.012 0.000 1.125 216 R CA 0.573 56.666 56.100 -0.010 0.000 0.966 216 R CB -0.319 29.967 30.300 -0.023 0.000 0.861 216 R HN 0.350 nan 8.270 nan 0.000 0.433 217 L N 0.426 121.637 121.223 -0.021 0.000 2.056 217 L HA 0.022 4.362 4.340 0.000 0.000 0.207 217 L C 0.737 177.613 176.870 0.009 0.000 1.078 217 L CA 0.996 55.816 54.840 -0.033 0.000 0.749 217 L CB 0.048 42.067 42.059 -0.066 0.000 0.901 217 L HN 0.198 nan 8.230 nan 0.000 0.433 218 I N -0.985 119.616 120.570 0.052 0.000 2.623 218 I HA 0.178 4.348 4.170 0.000 0.000 0.275 218 I C -1.942 174.270 176.117 0.158 0.000 1.108 218 I CA -1.438 59.941 61.300 0.132 0.000 1.120 218 I CB 1.527 39.649 38.000 0.203 0.000 1.249 218 I HN -0.221 nan 8.210 nan 0.000 0.500 219 P HA -0.219 nan 4.420 nan 0.000 0.216 219 P C 1.621 178.992 177.300 0.118 0.000 1.150 219 P CA 1.431 64.584 63.100 0.089 0.000 0.843 219 P CB 0.113 31.852 31.700 0.065 0.000 0.787 220 W N 0.484 121.763 121.300 -0.034 0.000 2.292 220 W HA -0.284 4.376 4.660 0.000 0.000 0.304 220 W C 1.687 178.177 176.519 -0.049 0.000 1.228 220 W CA 1.391 58.705 57.345 -0.051 0.000 1.241 220 W CB -1.122 28.295 29.460 -0.071 0.000 1.142 220 W HN -0.273 nan 8.180 nan 0.000 0.520 221 V N 1.257 121.175 119.914 0.007 0.000 2.277 221 V HA -0.393 3.727 4.120 0.000 0.000 0.253 221 V C 2.155 178.049 176.094 -0.334 0.000 1.067 221 V CA 2.279 64.416 62.300 -0.271 0.000 1.047 221 V CB -0.888 30.938 31.823 0.005 0.000 0.649 221 V HN 0.262 nan 8.190 nan 0.000 0.447 222 I N -0.620 119.850 120.570 -0.167 0.000 2.512 222 I HA -0.009 4.161 4.170 0.000 0.000 0.247 222 I C 2.231 178.278 176.117 -0.117 0.000 1.094 222 I CA 0.996 62.227 61.300 -0.116 0.000 1.427 222 I CB -1.457 36.512 38.000 -0.052 0.000 1.149 222 I HN 0.279 nan 8.210 nan 0.000 0.438 223 D N 0.745 121.088 120.400 -0.094 0.000 2.123 223 D HA -0.227 4.414 4.640 0.000 0.000 0.196 223 D C 2.110 178.388 176.300 -0.037 0.000 0.992 223 D CA 1.493 55.463 54.000 -0.049 0.000 0.833 223 D CB 0.016 40.811 40.800 -0.008 0.000 0.954 223 D HN 0.320 nan 8.370 nan 0.000 0.455 224 Q N 0.154 119.823 119.800 -0.218 0.000 2.252 224 Q HA 0.034 4.374 4.340 0.000 0.000 0.195 224 Q C 2.006 177.847 176.000 -0.266 0.000 0.974 224 Q CA 0.823 56.435 55.803 -0.318 0.000 0.846 224 Q CB -0.305 28.075 28.738 -0.598 0.000 0.943 224 Q HN 0.071 nan 8.270 nan 0.000 0.516 225 V N 0.075 119.696 119.914 -0.490 0.000 2.239 225 V HA -0.147 3.973 4.120 0.000 0.000 0.242 225 V C 2.321 178.532 176.094 0.196 0.000 1.038 225 V CA 1.651 63.894 62.300 -0.095 0.000 1.002 225 V CB -0.793 30.709 31.823 -0.535 0.000 0.641 225 V HN 0.251 nan 8.190 nan 0.000 0.449 226 V N 0.409 120.320 119.914 -0.004 0.000 2.407 226 V HA -0.234 3.887 4.120 0.000 0.000 0.248 226 V C 2.123 178.291 176.094 0.123 0.000 1.055 226 V CA 2.116 64.464 62.300 0.079 0.000 1.049 226 V CB -0.720 31.099 31.823 -0.006 0.000 0.662 226 V HN 0.543 nan 8.190 nan 0.000 0.455 227 D N -1.469 118.951 120.400 0.032 0.000 2.348 227 D HA -0.042 4.599 4.640 0.000 0.000 0.216 227 D C 0.926 177.109 176.300 -0.196 0.000 0.970 227 D CA 0.797 54.745 54.000 -0.086 0.000 0.889 227 D CB -0.162 40.531 40.800 -0.177 0.000 0.912 227 D HN 0.504 nan 8.370 nan 0.000 0.524 228 H N -0.047 119.119 119.070 0.160 0.000 2.418 228 H HA 0.148 4.704 4.556 0.000 0.000 0.238 228 H C -1.597 173.918 175.328 0.312 0.000 1.403 228 H CA -1.273 54.906 56.048 0.218 0.000 1.419 228 H CB 1.500 31.329 29.762 0.112 0.000 1.463 228 H HN 0.080 nan 8.280 nan 0.000 0.515 229 P HA -0.077 nan 4.420 nan 0.000 0.225 229 P C 0.092 177.363 177.300 -0.048 0.000 1.156 229 P CA 0.567 63.716 63.100 0.083 0.000 0.787 229 P CB 0.618 32.493 31.700 0.292 0.000 0.802 230 D N 0.661 121.132 120.400 0.118 0.000 2.304 230 D HA 0.049 4.690 4.640 0.000 0.000 0.247 230 D C 0.435 176.622 176.300 -0.187 0.000 1.089 230 D CA -0.210 53.801 54.000 0.018 0.000 0.910 230 D CB -0.049 40.842 40.800 0.152 0.000 1.199 230 D HN -0.145 nan 8.370 nan 0.000 0.426 231 N N 1.801 120.110 118.700 -0.651 0.000 3.103 231 N HA -0.008 4.732 4.740 0.000 0.000 0.305 231 N C -0.860 174.520 175.510 -0.216 0.000 1.232 231 N CA -0.316 52.206 53.050 -0.879 0.000 1.190 231 N CB -0.280 37.424 38.487 -1.304 0.000 1.461 231 N HN 0.287 nan 8.380 nan 0.000 0.538 232 D N -0.771 119.673 120.400 0.073 0.000 2.539 232 D HA 0.158 4.798 4.640 0.000 0.000 0.280 232 D C 0.885 177.223 176.300 0.063 0.000 1.208 232 D CA -0.353 53.691 54.000 0.074 0.000 1.088 232 D CB 0.252 41.129 40.800 0.128 0.000 1.149 232 D HN -0.091 nan 8.370 nan 0.000 0.596 233 E N -0.770 119.443 120.200 0.022 0.000 2.153 233 E HA -0.141 4.209 4.350 0.000 0.000 0.194 233 E C 2.002 178.568 176.600 -0.055 0.000 0.988 233 E CA 1.556 57.953 56.400 -0.005 0.000 0.811 233 E CB -0.461 29.235 29.700 -0.006 0.000 0.746 233 E HN 0.496 nan 8.360 nan 0.000 0.466 234 S N -1.198 114.398 115.700 -0.174 0.000 2.399 234 S HA -0.175 4.295 4.470 0.000 0.000 0.231 234 S C 1.891 176.294 174.600 -0.329 0.000 1.022 234 S CA 0.870 58.845 58.200 -0.376 0.000 0.983 234 S CB -0.650 62.029 63.200 -0.868 0.000 0.803 234 S HN 0.421 nan 8.310 nan 0.000 0.480 235 W N 2.018 123.272 121.300 -0.077 0.000 2.481 235 W HA 0.142 4.802 4.660 0.000 0.000 0.293 235 W C 2.916 179.439 176.519 0.007 0.000 1.201 235 W CA 0.209 57.559 57.345 0.007 0.000 1.328 235 W CB -0.165 29.300 29.460 0.008 0.000 1.112 235 W HN 0.243 nan 8.180 nan 0.000 0.546 236 Q N 0.254 120.169 119.800 0.192 0.000 2.181 236 Q HA -0.168 4.172 4.340 0.000 0.000 0.205 236 Q C 1.912 177.966 176.000 0.089 0.000 0.980 236 Q CA 1.809 57.679 55.803 0.111 0.000 0.862 236 Q CB -1.168 27.604 28.738 0.057 0.000 0.905 236 Q HN 0.255 nan 8.270 nan 0.000 0.429 237 S N 1.734 117.470 115.700 0.061 0.000 2.365 237 S HA -0.146 4.324 4.470 0.000 0.000 0.225 237 S C 2.116 176.757 174.600 0.068 0.000 1.039 237 S CA 1.689 59.913 58.200 0.041 0.000 1.033 237 S CB -0.378 62.822 63.200 -0.000 0.000 0.887 237 S HN 0.615 nan 8.310 nan 0.000 0.447 238 I N -0.818 119.815 120.570 0.106 0.000 3.728 238 I HA 0.242 4.412 4.170 0.000 0.000 0.307 238 I C 0.834 177.031 176.117 0.133 0.000 1.276 238 I CA -0.207 61.171 61.300 0.130 0.000 1.285 238 I CB -0.061 38.048 38.000 0.181 0.000 1.038 238 I HN 0.022 nan 8.210 nan 0.000 0.445 239 S N 1.454 117.241 115.700 0.145 0.000 2.548 239 S HA 0.317 4.787 4.470 0.000 0.000 0.277 239 S C 0.796 175.455 174.600 0.097 0.000 1.315 239 S CA -0.538 57.739 58.200 0.128 0.000 1.050 239 S CB 0.843 64.123 63.200 0.133 0.000 0.918 239 S HN 0.311 nan 8.310 nan 0.000 0.497 240 L N 5.034 126.310 121.223 0.088 0.000 2.609 240 L HA 0.244 4.584 4.340 0.000 0.000 0.230 240 L C 1.563 178.446 176.870 0.021 0.000 1.087 240 L CA 0.495 55.369 54.840 0.058 0.000 0.874 240 L CB -1.847 40.253 42.059 0.069 0.000 1.114 240 L HN 0.740 nan 8.230 nan 0.000 0.488 241 F N 2.171 122.065 119.950 -0.094 0.000 2.095 241 F HA -0.210 4.317 4.527 0.001 0.000 0.298 241 F C 2.416 178.159 175.800 -0.095 0.000 1.104 241 F CA 1.694 59.612 58.000 -0.137 0.000 1.232 241 F CB 0.276 39.203 39.000 -0.121 0.000 0.987 241 F HN 0.080 nan 8.300 nan 0.000 0.475 242 E N 0.166 120.392 120.200 0.043 0.000 2.204 242 E HA -0.166 4.184 4.350 0.000 0.000 0.195 242 E C 2.241 178.779 176.600 -0.103 0.000 0.990 242 E CA 0.896 57.280 56.400 -0.026 0.000 0.821 242 E CB -0.374 29.352 29.700 0.043 0.000 0.750 242 E HN 0.505 nan 8.360 nan 0.000 0.477 243 R N 0.092 120.539 120.500 -0.089 0.000 2.236 243 R HA 0.115 4.456 4.340 0.000 0.000 0.208 243 R C 2.360 178.588 176.300 -0.120 0.000 1.036 243 R CA 0.127 56.182 56.100 -0.075 0.000 1.001 243 R CB -0.022 30.266 30.300 -0.020 0.000 0.896 243 R HN 0.156 nan 8.270 nan 0.000 0.464 244 L N -0.661 120.412 121.223 -0.250 0.000 2.093 244 L HA -0.060 4.280 4.340 0.000 0.000 0.208 244 L C 2.409 179.143 176.870 -0.228 0.000 1.085 244 L CA 1.369 56.040 54.840 -0.283 0.000 0.755 244 L CB -0.796 40.922 42.059 -0.569 0.000 0.904 244 L HN 0.330 nan 8.230 nan 0.000 0.435 245 G N -0.146 108.498 108.800 -0.260 0.000 2.462 245 G HA2 -0.183 3.777 3.960 0.000 0.000 0.220 245 G HA3 -0.183 3.777 3.960 0.000 0.000 0.220 245 G C 1.428 176.270 174.900 -0.097 0.000 1.121 245 G CA 0.763 45.759 45.100 -0.173 0.000 0.758 245 G HN 0.510 nan 8.290 nan 0.000 0.559 246 G N -0.416 108.338 108.800 -0.077 0.000 3.088 246 G HA2 0.382 4.342 3.960 0.000 0.000 0.217 246 G HA3 0.382 4.342 3.960 0.000 0.000 0.217 246 G C 0.598 175.484 174.900 -0.023 0.000 1.159 246 G CA -0.486 44.589 45.100 -0.042 0.000 0.760 246 G HN 0.338 nan 8.290 nan 0.000 0.550 247 L N 0.374 121.585 121.223 -0.020 0.000 2.453 247 L HA 0.516 4.857 4.340 0.000 0.000 0.261 247 L C 0.781 177.656 176.870 0.008 0.000 1.179 247 L CA -0.441 54.406 54.840 0.012 0.000 0.813 247 L CB 1.562 43.654 42.059 0.055 0.000 1.110 247 L HN 0.074 nan 8.230 nan 0.000 0.466 248 A N 0.838 123.667 122.820 0.015 0.000 2.795 248 A HA 0.351 4.671 4.320 0.000 0.000 0.282 248 A C -0.134 177.452 177.584 0.002 0.000 0.964 248 A CA -0.298 51.743 52.037 0.006 0.000 1.045 248 A CB 0.128 19.129 19.000 0.002 0.000 1.174 248 A HN 0.610 nan 8.150 nan 0.000 0.493 249 T N 2.977 117.543 114.554 0.020 0.000 2.749 249 T HA 0.479 4.829 4.350 0.000 0.000 0.287 249 T C -2.794 171.901 174.700 -0.008 0.000 0.970 249 T CA -1.093 61.008 62.100 0.001 0.000 0.980 249 T CB 1.211 70.094 68.868 0.026 0.000 0.924 249 T HN 0.168 nan 8.240 nan 0.000 0.456 250 P HA 0.344 nan 4.420 nan 0.000 0.265 250 P C -1.215 176.178 177.300 0.156 0.000 1.193 250 P CA -0.189 62.850 63.100 -0.102 0.000 0.765 250 P CB 0.398 31.645 31.700 -0.755 0.000 0.823 251 A N 3.763 126.720 122.820 0.228 0.000 2.381 251 A HA 0.495 4.815 4.320 0.000 0.000 0.299 251 A C -1.116 176.380 177.584 -0.146 0.000 1.049 251 A CA -0.693 51.385 52.037 0.067 0.000 0.715 251 A CB 0.813 19.853 19.000 0.067 0.000 1.222 251 A HN 0.580 nan 8.150 nan 0.000 0.428 252 L N 4.176 125.055 121.223 -0.573 0.000 2.270 252 L HA 0.532 4.872 4.340 0.000 0.000 0.286 252 L C -1.167 175.512 176.870 -0.318 0.000 1.059 252 L CA -0.456 53.927 54.840 -0.762 0.000 0.839 252 L CB 0.049 41.253 42.059 -1.426 0.000 1.221 252 L HN 0.647 nan 8.230 nan 0.000 0.431 253 I N 4.012 124.515 120.570 -0.111 0.000 2.321 253 I HA 0.285 4.455 4.170 0.000 0.000 0.291 253 I C 0.015 176.121 176.117 -0.020 0.000 0.998 253 I CA -0.145 61.169 61.300 0.024 0.000 1.227 253 I CB 1.760 39.880 38.000 0.200 0.000 1.368 253 I HN 0.458 nan 8.210 nan 0.000 0.466 254 T N 5.377 119.950 114.554 0.032 0.000 2.855 254 T HA 0.814 5.164 4.350 0.000 0.000 0.281 254 T C -0.271 174.461 174.700 0.054 0.000 1.007 254 T CA -0.567 61.577 62.100 0.073 0.000 1.009 254 T CB 1.879 70.866 68.868 0.198 0.000 0.983 254 T HN 0.698 nan 8.240 nan 0.000 0.455 255 A N 1.424 124.244 122.820 -0.000 0.000 2.569 255 A HA 0.973 5.294 4.320 0.000 0.000 0.290 255 A C -0.396 177.138 177.584 -0.084 0.000 1.136 255 A CA -0.807 51.189 52.037 -0.068 0.000 0.710 255 A CB 1.676 20.531 19.000 -0.243 0.000 1.303 255 A HN 1.054 nan 8.150 nan 0.000 0.413 256 G N -1.598 107.154 108.800 -0.081 0.000 2.591 256 G HA2 0.475 4.435 3.960 0.000 0.000 0.306 256 G HA3 0.475 4.435 3.960 0.000 0.000 0.306 256 G C -0.120 174.643 174.900 -0.229 0.000 1.334 256 G CA -0.537 44.481 45.100 -0.136 0.000 0.981 256 G HN 0.790 nan 8.290 nan 0.000 0.491 257 W N 0.418 121.578 121.300 -0.233 0.000 2.364 257 W HA -0.062 4.598 4.660 0.000 0.000 0.281 257 W C 0.878 177.111 176.519 -0.476 0.000 1.219 257 W CA 0.264 57.369 57.345 -0.400 0.000 1.220 257 W CB 0.038 29.142 29.460 -0.594 0.000 1.127 257 W HN 0.589 nan 8.180 nan 0.000 0.556 258 Y N -0.582 119.830 120.300 0.187 0.000 2.636 258 Y HA 0.188 4.738 4.550 0.000 0.000 0.260 258 Y C -0.069 175.913 175.900 0.136 0.000 1.177 258 Y CA -0.771 57.422 58.100 0.155 0.000 1.209 258 Y CB -0.345 38.205 38.460 0.150 0.000 1.166 258 Y HN -0.272 nan 8.280 nan 0.000 0.531 259 D N -0.646 119.889 120.400 0.225 0.000 2.256 259 D HA 0.269 4.910 4.640 0.000 0.000 0.250 259 D C 1.609 178.003 176.300 0.157 0.000 1.093 259 D CA 0.213 54.352 54.000 0.232 0.000 0.882 259 D CB 1.465 42.419 40.800 0.257 0.000 1.185 259 D HN 0.321 nan 8.370 nan 0.000 0.437 260 G N 2.262 111.119 108.800 0.094 0.000 2.485 260 G HA2 -0.261 3.699 3.960 0.000 0.000 0.221 260 G HA3 -0.261 3.699 3.960 0.000 0.000 0.221 260 G C 0.967 175.741 174.900 -0.210 0.000 1.115 260 G CA 0.520 45.547 45.100 -0.122 0.000 0.751 260 G HN 0.558 nan 8.290 nan 0.000 0.567 261 F N -0.435 119.486 119.950 -0.049 0.000 2.765 261 F HA 0.253 4.780 4.527 0.000 0.000 0.302 261 F C 2.232 178.018 175.800 -0.023 0.000 1.111 261 F CA -0.341 57.627 58.000 -0.054 0.000 1.359 261 F CB 0.134 39.114 39.000 -0.034 0.000 1.097 261 F HN 0.016 nan 8.300 nan 0.000 0.577 262 V N 0.555 120.551 119.914 0.136 0.000 2.282 262 V HA -0.265 3.855 4.120 0.000 0.000 0.249 262 V C 2.437 178.564 176.094 0.056 0.000 1.057 262 V CA 2.609 64.950 62.300 0.068 0.000 1.032 262 V CB -0.896 30.954 31.823 0.045 0.000 0.645 262 V HN 0.420 nan 8.190 nan 0.000 0.447 263 G N -1.120 107.718 108.800 0.063 0.000 2.440 263 G HA2 -0.224 3.736 3.960 0.000 0.000 0.218 263 G HA3 -0.224 3.736 3.960 0.000 0.000 0.218 263 G C 1.479 176.409 174.900 0.049 0.000 1.154 263 G CA 0.848 45.989 45.100 0.068 0.000 0.767 263 G HN 0.542 nan 8.290 nan 0.000 0.552 264 E N 0.887 121.105 120.200 0.030 0.000 2.112 264 E HA -0.004 4.346 4.350 0.000 0.000 0.190 264 E C 2.946 179.593 176.600 0.078 0.000 0.979 264 E CA 0.679 57.088 56.400 0.016 0.000 0.814 264 E CB -0.351 29.348 29.700 -0.001 0.000 0.762 264 E HN 0.330 nan 8.360 nan 0.000 0.460 265 S N 1.331 117.100 115.700 0.114 0.000 2.353 265 S HA -0.120 4.350 4.470 0.000 0.000 0.222 265 S C 2.161 176.825 174.600 0.106 0.000 1.035 265 S CA 0.967 59.243 58.200 0.127 0.000 1.025 265 S CB -0.314 62.938 63.200 0.087 0.000 0.902 265 S HN 0.186 nan 8.310 nan 0.000 0.440 266 L N 0.772 122.019 121.223 0.040 0.000 2.083 266 L HA -0.066 4.274 4.340 0.000 0.000 0.209 266 L C 2.642 179.663 176.870 0.252 0.000 1.083 266 L CA 1.182 56.042 54.840 0.034 0.000 0.752 266 L CB -0.418 41.612 42.059 -0.048 0.000 0.899 266 L HN 0.192 nan 8.230 nan 0.000 0.433 267 R N -0.408 120.225 120.500 0.221 0.000 2.189 267 R HA -0.124 4.216 4.340 0.000 0.000 0.223 267 R C 2.425 178.945 176.300 0.367 0.000 1.092 267 R CA 1.697 57.961 56.100 0.273 0.000 0.989 267 R CB -0.440 29.910 30.300 0.084 0.000 0.876 267 R HN 0.549 nan 8.270 nan 0.000 0.457 268 T N -1.588 113.107 114.554 0.235 0.000 2.857 268 T HA -0.137 4.213 4.350 0.000 0.000 0.266 268 T C 1.664 176.439 174.700 0.126 0.000 1.048 268 T CA 0.720 62.834 62.100 0.025 0.000 1.139 268 T CB -0.378 68.361 68.868 -0.216 0.000 0.874 268 T HN 0.192 nan 8.240 nan 0.000 0.455 269 F N 2.421 122.449 119.950 0.130 0.000 2.095 269 F HA -0.051 4.476 4.527 0.000 0.000 0.298 269 F C 2.258 178.152 175.800 0.157 0.000 1.104 269 F CA 1.186 59.276 58.000 0.150 0.000 1.232 269 F CB -0.554 38.517 39.000 0.119 0.000 0.987 269 F HN 0.002 nan 8.300 nan 0.000 0.475 270 V N 0.556 120.643 119.914 0.289 0.000 2.407 270 V HA -0.306 3.814 4.120 0.000 0.000 0.248 270 V C 2.702 178.803 176.094 0.012 0.000 1.055 270 V CA 1.765 64.174 62.300 0.181 0.000 1.049 270 V CB -1.611 30.403 31.823 0.319 0.000 0.662 270 V HN 0.508 nan 8.190 nan 0.000 0.455 271 A N 0.211 123.024 122.820 -0.012 0.000 1.968 271 A HA -0.070 4.251 4.320 0.000 0.000 0.217 271 A C 2.226 179.698 177.584 -0.187 0.000 1.169 271 A CA 1.941 53.873 52.037 -0.174 0.000 0.638 271 A CB -0.354 18.351 19.000 -0.492 0.000 0.812 271 A HN 0.687 nan 8.150 nan 0.000 0.446 272 V N -2.002 117.818 119.914 -0.157 0.000 3.565 272 V HA 0.034 4.155 4.120 0.000 0.000 0.260 272 V C 1.887 177.892 176.094 -0.148 0.000 1.231 272 V CA 1.047 63.284 62.300 -0.105 0.000 1.100 272 V CB -0.516 31.328 31.823 0.035 0.000 0.807 272 V HN 0.643 nan 8.190 nan 0.000 0.454 273 K N 0.754 120.979 120.400 -0.291 0.000 2.152 273 K HA -0.207 4.113 4.320 0.000 0.000 0.206 273 K C 1.403 177.911 176.600 -0.154 0.000 1.048 273 K CA 2.181 58.256 56.287 -0.354 0.000 0.933 273 K CB -0.541 31.573 32.500 -0.643 0.000 0.721 273 K HN 0.413 nan 8.250 nan 0.000 0.447 274 D N 0.725 121.061 120.400 -0.106 0.000 2.234 274 D HA -0.051 4.590 4.640 0.000 0.000 0.205 274 D C 1.124 177.403 176.300 -0.035 0.000 0.962 274 D CA 0.733 54.701 54.000 -0.052 0.000 0.855 274 D CB -0.018 40.758 40.800 -0.039 0.000 0.951 274 D HN 0.314 nan 8.370 nan 0.000 0.500 275 N N -0.282 118.394 118.700 -0.040 0.000 2.282 275 N HA 0.233 4.973 4.740 0.000 0.000 0.185 275 N C 0.097 175.601 175.510 -0.011 0.000 1.099 275 N CA 0.120 53.157 53.050 -0.022 0.000 0.878 275 N CB 1.611 40.083 38.487 -0.025 0.000 0.993 275 N HN 0.026 nan 8.380 nan 0.000 0.481 276 A N -0.115 122.697 122.820 -0.014 0.000 2.602 276 A HA 0.329 4.649 4.320 0.000 0.000 0.290 276 A C -1.601 175.993 177.584 0.016 0.000 1.114 276 A CA -0.682 51.354 52.037 -0.002 0.000 0.683 276 A CB 0.900 19.894 19.000 -0.011 0.000 1.281 276 A HN -0.020 nan 8.150 nan 0.000 0.416 277 D N 1.075 121.501 120.400 0.044 0.000 2.357 277 D HA 0.454 5.094 4.640 0.000 0.000 0.265 277 D C 0.273 176.673 176.300 0.166 0.000 1.334 277 D CA 1.011 55.089 54.000 0.130 0.000 0.984 277 D CB 0.207 41.158 40.800 0.253 0.000 1.077 277 D HN 0.799 nan 8.370 nan 0.000 0.514 278 A N 4.846 127.740 122.820 0.122 0.000 2.312 278 A HA 0.779 5.099 4.320 0.000 0.000 0.326 278 A C -0.038 177.752 177.584 0.343 0.000 1.172 278 A CA -0.815 51.316 52.037 0.157 0.000 0.821 278 A CB 1.017 19.950 19.000 -0.112 0.000 1.166 278 A HN 0.505 nan 8.150 nan 0.000 0.493 279 R N 0.507 121.187 120.500 0.299 0.000 2.807 279 R HA 0.682 5.022 4.340 0.000 0.000 0.276 279 R C -1.830 174.533 176.300 0.105 0.000 0.979 279 R CA -0.811 55.412 56.100 0.205 0.000 0.928 279 R CB 1.719 31.985 30.300 -0.056 0.000 1.191 279 R HN 0.602 nan 8.270 nan 0.000 0.471 280 L N 0.968 122.114 121.223 -0.129 0.000 2.410 280 L HA 0.562 4.902 4.340 0.000 0.000 0.270 280 L C -1.438 175.298 176.870 -0.224 0.000 0.983 280 L CA -0.679 53.955 54.840 -0.345 0.000 0.822 280 L CB 2.335 43.838 42.059 -0.926 0.000 1.285 280 L HN 0.335 nan 8.230 nan 0.000 0.409 281 V N 5.301 125.114 119.914 -0.169 0.000 2.525 281 V HA 0.643 4.763 4.120 0.000 0.000 0.299 281 V C -1.001 175.038 176.094 -0.093 0.000 1.034 281 V CA -0.604 61.664 62.300 -0.054 0.000 0.863 281 V CB 2.116 33.951 31.823 0.019 0.000 0.999 281 V HN 0.498 nan 8.190 nan 0.000 0.423 282 V N 3.838 123.651 119.914 -0.168 0.000 2.482 282 V HA 0.827 4.947 4.120 0.000 0.000 0.295 282 V C 0.542 176.200 176.094 -0.726 0.000 1.026 282 V CA -0.254 61.684 62.300 -0.603 0.000 0.856 282 V CB 1.569 32.643 31.823 -1.248 0.000 1.001 282 V HN 0.919 nan 8.190 nan 0.000 0.424 283 G N 3.998 112.087 108.800 -1.185 0.000 2.552 283 G HA2 0.703 4.664 3.960 0.000 0.000 0.324 283 G HA3 0.703 4.664 3.960 0.000 0.000 0.324 283 G C -2.460 171.442 174.900 -1.663 0.000 1.217 283 G CA -1.648 42.245 45.100 -2.013 0.000 0.989 283 G HN 0.510 nan 8.290 nan 0.000 0.490 284 P HA 0.153 nan 4.420 nan 0.000 0.228 284 P C -0.705 176.438 177.300 -0.261 0.000 1.764 284 P CA -0.230 62.465 63.100 -0.676 0.000 0.929 284 P CB 0.001 30.958 31.700 -1.238 0.000 1.675 285 W N 0.874 122.199 121.300 0.042 0.000 2.436 285 W HA 0.398 5.058 4.660 0.000 0.000 0.347 285 W C 0.951 177.576 176.519 0.175 0.000 1.136 285 W CA -0.492 56.910 57.345 0.095 0.000 1.286 285 W CB 0.814 30.296 29.460 0.037 0.000 1.253 285 W HN -0.009 nan 8.180 nan 0.000 0.617 286 S N -0.518 115.408 115.700 0.377 0.000 2.747 286 S HA 0.225 4.695 4.470 0.000 0.000 0.300 286 S C 0.837 175.561 174.600 0.208 0.000 1.121 286 S CA -0.439 57.930 58.200 0.282 0.000 0.995 286 S CB 1.750 65.068 63.200 0.197 0.000 1.113 286 S HN 0.586 nan 8.310 nan 0.000 0.547 287 H N 0.728 119.847 119.070 0.080 0.000 2.421 287 H HA -0.062 4.495 4.556 0.000 0.000 0.298 287 H C 1.589 176.898 175.328 -0.032 0.000 1.087 287 H CA 1.957 58.023 56.048 0.029 0.000 1.330 287 H CB 0.022 29.790 29.762 0.009 0.000 1.388 287 H HN 0.767 nan 8.280 nan 0.000 0.526 288 S N -0.587 115.106 115.700 -0.012 0.000 2.554 288 S HA 0.045 4.515 4.470 0.000 0.000 0.226 288 S C 0.156 174.726 174.600 -0.050 0.000 0.980 288 S CA -0.596 57.563 58.200 -0.069 0.000 0.939 288 S CB 0.163 63.338 63.200 -0.040 0.000 0.832 288 S HN 0.230 nan 8.310 nan 0.000 0.486 289 N N 0.984 119.678 118.700 -0.010 0.000 2.609 289 N HA 0.379 5.120 4.740 0.000 0.000 0.268 289 N C -1.101 174.450 175.510 0.068 0.000 1.106 289 N CA -0.416 52.646 53.050 0.020 0.000 0.823 289 N CB 1.061 39.576 38.487 0.046 0.000 1.263 289 N HN 0.172 nan 8.380 nan 0.000 0.533 290 L N 2.339 123.533 121.223 -0.048 0.000 3.017 290 L HA 0.262 4.602 4.340 0.000 0.000 0.255 290 L C 1.898 178.760 176.870 -0.013 0.000 1.247 290 L CA 0.102 54.840 54.840 -0.169 0.000 1.038 290 L CB 0.379 42.073 42.059 -0.609 0.000 1.380 290 L HN 0.612 nan 8.230 nan 0.000 0.548 291 T N -4.765 109.849 114.554 0.100 0.000 3.054 291 T HA 0.171 4.521 4.350 0.000 0.000 0.259 291 T C 1.690 176.509 174.700 0.198 0.000 1.092 291 T CA 0.683 62.851 62.100 0.113 0.000 1.121 291 T CB 0.132 69.037 68.868 0.061 0.000 0.912 291 T HN 0.373 nan 8.240 nan 0.000 0.489 292 G N 1.668 110.645 108.800 0.296 0.000 2.179 292 G HA2 -0.249 3.711 3.960 0.000 0.000 0.260 292 G HA3 -0.249 3.711 3.960 0.000 0.000 0.260 292 G C 0.106 175.142 174.900 0.227 0.000 0.977 292 G CA 0.025 45.322 45.100 0.328 0.000 0.641 292 G HN 0.714 nan 8.290 nan 0.000 0.533 293 R N 0.558 121.128 120.500 0.115 0.000 2.437 293 R HA 0.589 4.929 4.340 0.000 0.000 0.310 293 R C -0.416 175.866 176.300 -0.029 0.000 0.955 293 R CA -0.682 55.421 56.100 0.004 0.000 0.851 293 R CB 1.091 31.393 30.300 0.002 0.000 1.161 293 R HN 0.247 nan 8.270 nan 0.000 0.446 294 N N 0.415 119.046 118.700 -0.115 0.000 2.509 294 N HA 0.230 4.970 4.740 0.000 0.000 0.280 294 N C 0.390 175.815 175.510 -0.142 0.000 1.306 294 N CA -0.406 52.569 53.050 -0.125 0.000 0.782 294 N CB 1.903 40.291 38.487 -0.165 0.000 1.493 294 N HN 0.484 nan 8.380 nan 0.000 0.498 295 A N 0.234 122.978 122.820 -0.126 0.000 1.917 295 A HA -0.173 4.148 4.320 0.000 0.000 0.219 295 A C 0.779 178.279 177.584 -0.140 0.000 1.182 295 A CA 1.789 53.757 52.037 -0.116 0.000 0.633 295 A CB -0.167 18.772 19.000 -0.101 0.000 0.819 295 A HN 0.668 nan 8.150 nan 0.000 0.448 296 D N -2.471 117.820 120.400 -0.182 0.000 2.535 296 D HA 0.261 4.901 4.640 0.000 0.000 0.229 296 D C -0.106 176.008 176.300 -0.311 0.000 1.238 296 D CA 0.048 53.917 54.000 -0.217 0.000 0.824 296 D CB 0.590 41.269 40.800 -0.202 0.000 1.045 296 D HN 0.261 nan 8.370 nan 0.000 0.500 297 R N 0.871 121.170 120.500 -0.335 0.000 2.542 297 R HA 0.289 4.629 4.340 0.000 0.000 0.284 297 R C -1.770 174.201 176.300 -0.550 0.000 1.167 297 R CA -0.400 55.413 56.100 -0.478 0.000 1.000 297 R CB 0.928 30.907 30.300 -0.536 0.000 1.229 297 R HN -0.329 nan 8.270 nan 0.000 0.416 298 K N 3.648 123.767 120.400 -0.469 0.000 2.270 298 K HA 0.430 4.750 4.320 0.000 0.000 0.255 298 K C -0.424 175.967 176.600 -0.348 0.000 0.936 298 K CA -0.350 55.722 56.287 -0.358 0.000 0.809 298 K CB 0.887 33.301 32.500 -0.143 0.000 1.131 298 K HN 0.420 nan 8.250 nan 0.000 0.427 299 F N 0.858 120.837 119.950 0.049 0.000 2.727 299 F HA 0.331 4.859 4.527 0.000 0.000 0.302 299 F C 1.006 176.900 175.800 0.157 0.000 1.097 299 F CA 0.098 58.163 58.000 0.107 0.000 1.330 299 F CB 0.323 39.299 39.000 -0.039 0.000 1.084 299 F HN 0.729 nan 8.300 nan 0.000 0.578 300 G N 0.703 109.640 108.800 0.228 0.000 2.662 300 G HA2 -0.219 3.741 3.960 0.000 0.000 0.686 300 G HA3 -0.219 3.741 3.960 0.000 0.000 0.686 300 G C 0.502 175.514 174.900 0.186 0.000 1.271 300 G CA -0.349 44.870 45.100 0.198 0.000 0.816 300 G HN 0.240 nan 8.290 nan 0.000 0.608 301 I N 0.839 121.503 120.570 0.156 0.000 2.454 301 I HA -0.004 4.166 4.170 0.000 0.000 0.254 301 I C 2.680 178.912 176.117 0.193 0.000 1.156 301 I CA 2.466 63.852 61.300 0.144 0.000 1.433 301 I CB -0.142 37.921 38.000 0.105 0.000 1.082 301 I HN 0.937 nan 8.210 nan 0.000 0.432 302 A N 0.338 123.312 122.820 0.257 0.000 2.067 302 A HA -0.008 4.312 4.320 0.000 0.000 0.219 302 A C 2.369 180.254 177.584 0.501 0.000 1.158 302 A CA 1.290 53.555 52.037 0.379 0.000 0.661 302 A CB -0.683 18.589 19.000 0.453 0.000 0.801 302 A HN 0.532 nan 8.150 nan 0.000 0.452 303 A N -0.668 122.300 122.820 0.247 0.000 2.067 303 A HA 0.153 4.473 4.320 0.000 0.000 0.217 303 A C 1.334 179.093 177.584 0.293 0.000 1.156 303 A CA 1.046 53.009 52.037 -0.124 0.000 0.683 303 A CB -0.886 17.805 19.000 -0.515 0.000 0.808 303 A HN 0.337 nan 8.150 nan 0.000 0.455 304 T N 0.465 115.199 114.554 0.300 0.000 2.905 304 T HA 0.058 4.408 4.350 0.000 0.000 0.299 304 T C -0.020 174.887 174.700 0.346 0.000 1.024 304 T CA 0.112 62.390 62.100 0.296 0.000 1.151 304 T CB -0.186 68.780 68.868 0.163 0.000 0.987 304 T HN 0.289 nan 8.240 nan 0.000 0.535 305 Y N 6.683 127.019 120.300 0.059 0.000 2.863 305 Y HA 0.073 4.623 4.550 0.000 0.000 0.359 305 Y C -1.667 174.199 175.900 -0.057 0.000 1.312 305 Y CA -1.990 55.980 58.100 -0.217 0.000 1.650 305 Y CB 0.273 38.313 38.460 -0.701 0.000 1.201 305 Y HN 0.380 nan 8.280 nan 0.000 0.531 306 P HA 0.075 nan 4.420 nan 0.000 0.238 306 P C 0.922 177.951 177.300 -0.452 0.000 1.794 306 P CA 0.245 63.141 63.100 -0.340 0.000 1.088 306 P CB 0.045 31.561 31.700 -0.307 0.000 1.923 307 I N 1.393 121.791 120.570 -0.287 0.000 2.264 307 I HA -0.291 3.880 4.170 0.000 0.000 0.248 307 I C 2.366 178.397 176.117 -0.143 0.000 1.111 307 I CA 1.512 62.722 61.300 -0.150 0.000 1.382 307 I CB 0.102 38.113 38.000 0.019 0.000 1.060 307 I HN 0.195 nan 8.210 nan 0.000 0.418 308 Q N 0.691 120.411 119.800 -0.135 0.000 2.020 308 Q HA -0.274 4.066 4.340 0.000 0.000 0.202 308 Q C 2.045 177.982 176.000 -0.105 0.000 0.982 308 Q CA 2.055 57.792 55.803 -0.111 0.000 0.838 308 Q CB -0.145 28.538 28.738 -0.092 0.000 0.899 308 Q HN 0.571 nan 8.270 nan 0.000 0.423 309 E N 0.014 120.131 120.200 -0.139 0.000 2.077 309 E HA -0.199 4.151 4.350 0.000 0.000 0.193 309 E C 1.950 178.479 176.600 -0.119 0.000 0.989 309 E CA 0.895 57.209 56.400 -0.143 0.000 0.800 309 E CB -0.156 29.415 29.700 -0.214 0.000 0.746 309 E HN 0.499 nan 8.360 nan 0.000 0.452 310 A N 0.904 123.629 122.820 -0.158 0.000 1.902 310 A HA -0.185 4.135 4.320 0.000 0.000 0.217 310 A C 2.370 180.024 177.584 0.116 0.000 1.181 310 A CA 1.907 53.924 52.037 -0.034 0.000 0.623 310 A CB -0.838 18.091 19.000 -0.118 0.000 0.818 310 A HN 0.182 nan 8.150 nan 0.000 0.443 311 T N -0.218 114.344 114.554 0.013 0.000 2.708 311 T HA -0.120 4.231 4.350 0.000 0.000 0.266 311 T C 2.020 176.831 174.700 0.185 0.000 1.037 311 T CA 1.932 64.066 62.100 0.056 0.000 1.146 311 T CB -0.602 68.198 68.868 -0.113 0.000 0.865 311 T HN 0.553 nan 8.240 nan 0.000 0.435 312 T N 2.208 116.812 114.554 0.083 0.000 2.720 312 T HA -0.050 4.300 4.350 0.000 0.000 0.268 312 T C 1.951 176.703 174.700 0.086 0.000 1.037 312 T CA 1.228 63.377 62.100 0.082 0.000 1.144 312 T CB -0.332 68.548 68.868 0.020 0.000 0.864 312 T HN 0.302 nan 8.240 nan 0.000 0.444 313 M N 0.009 119.644 119.600 0.058 0.000 2.099 313 M HA -0.144 4.336 4.480 0.000 0.000 0.262 313 M C 2.198 178.486 176.300 -0.020 0.000 1.067 313 M CA 1.762 57.066 55.300 0.007 0.000 1.124 313 M CB -0.208 32.361 32.600 -0.053 0.000 1.353 313 M HN 0.270 nan 8.290 nan 0.000 0.410 314 H N 0.108 119.126 119.070 -0.087 0.000 2.352 314 H HA -0.174 4.383 4.556 0.000 0.000 0.299 314 H C 2.069 177.212 175.328 -0.309 0.000 1.097 314 H CA 2.225 58.113 56.048 -0.267 0.000 1.311 314 H CB -0.194 29.527 29.762 -0.067 0.000 1.377 314 H HN 0.350 nan 8.280 nan 0.000 0.504 315 K N 0.093 120.550 120.400 0.095 0.000 2.057 315 K HA -0.097 4.223 4.320 0.000 0.000 0.207 315 K C 2.306 178.962 176.600 0.093 0.000 1.049 315 K CA 0.957 57.291 56.287 0.078 0.000 0.931 315 K CB -0.086 32.576 32.500 0.270 0.000 0.714 315 K HN 0.283 nan 8.250 nan 0.000 0.440 316 A N 0.631 123.496 122.820 0.075 0.000 1.902 316 A HA -0.167 4.153 4.320 0.000 0.000 0.217 316 A C 1.974 179.583 177.584 0.042 0.000 1.181 316 A CA 1.278 53.351 52.037 0.060 0.000 0.623 316 A CB -0.772 18.256 19.000 0.047 0.000 0.818 316 A HN 0.488 nan 8.150 nan 0.000 0.443 317 F N -0.219 119.628 119.950 -0.172 0.000 2.075 317 F HA -0.143 4.385 4.527 0.001 0.000 0.297 317 F C 1.864 177.607 175.800 -0.095 0.000 1.113 317 F CA 1.697 59.576 58.000 -0.201 0.000 1.218 317 F CB -0.384 38.351 39.000 -0.443 0.000 0.984 317 F HN 0.215 nan 8.300 nan 0.000 0.472 318 F N 0.834 120.795 119.950 0.018 0.000 2.186 318 F HA -0.133 4.394 4.527 -0.000 0.000 0.299 318 F C 2.320 178.148 175.800 0.045 0.000 1.090 318 F CA 1.204 59.168 58.000 -0.060 0.000 1.307 318 F CB -1.311 37.532 39.000 -0.262 0.000 1.019 318 F HN -0.019 nan 8.300 nan 0.000 0.489 319 D N -0.112 120.432 120.400 0.240 0.000 2.123 319 D HA -0.184 4.457 4.640 0.000 0.000 0.196 319 D C 2.364 178.662 176.300 -0.002 0.000 0.992 319 D CA 1.163 55.256 54.000 0.156 0.000 0.833 319 D CB -0.295 40.577 40.800 0.119 0.000 0.954 319 D HN 0.062 nan 8.370 nan 0.000 0.455 320 R N 0.091 120.511 120.500 -0.133 0.000 2.073 320 R HA -0.108 4.232 4.340 0.000 0.000 0.234 320 R C 2.036 178.085 176.300 -0.418 0.000 1.134 320 R CA 1.604 57.501 56.100 -0.338 0.000 0.952 320 R CB -0.404 29.573 30.300 -0.538 0.000 0.850 320 R HN 0.333 nan 8.270 nan 0.000 0.433 321 H N -1.381 117.584 119.070 -0.175 0.000 2.520 321 H HA 0.146 4.702 4.556 0.000 0.000 0.279 321 H C 1.345 176.646 175.328 -0.047 0.000 0.990 321 H CA 0.915 56.864 56.048 -0.164 0.000 1.288 321 H CB 0.508 30.063 29.762 -0.344 0.000 1.446 321 H HN 0.154 nan 8.280 nan 0.000 0.538 322 L N -0.255 121.041 121.223 0.123 0.000 2.470 322 L HA 0.136 4.477 4.340 0.000 0.000 0.219 322 L C 2.207 179.113 176.870 0.060 0.000 1.071 322 L CA 0.787 55.698 54.840 0.119 0.000 0.850 322 L CB 0.202 42.386 42.059 0.208 0.000 1.040 322 L HN -0.039 nan 8.230 nan 0.000 0.475 323 R N -0.785 119.741 120.500 0.043 0.000 2.282 323 R HA 0.298 4.638 4.340 0.000 0.000 0.195 323 R C 1.035 177.323 176.300 -0.021 0.000 0.909 323 R CA 0.661 56.757 56.100 -0.006 0.000 1.039 323 R CB 0.307 30.598 30.300 -0.015 0.000 1.015 323 R HN 0.301 nan 8.270 nan 0.000 0.513 324 G N 2.206 110.987 108.800 -0.033 0.000 2.147 324 G HA2 -0.285 3.675 3.960 0.000 0.000 0.244 324 G HA3 -0.285 3.675 3.960 0.000 0.000 0.244 324 G C -0.406 174.461 174.900 -0.055 0.000 1.005 324 G CA -0.034 45.038 45.100 -0.048 0.000 0.713 324 G HN 0.371 nan 8.290 nan 0.000 0.515 325 E N 1.080 121.244 120.200 -0.061 0.000 1.932 325 E HA 0.298 4.648 4.350 0.000 0.000 0.275 325 E C 1.826 178.381 176.600 -0.075 0.000 1.159 325 E CA 0.299 56.668 56.400 -0.051 0.000 0.905 325 E CB 0.331 30.012 29.700 -0.031 0.000 1.059 325 E HN 0.483 nan 8.360 nan 0.000 0.400 326 T N -0.490 114.028 114.554 -0.061 0.000 2.929 326 T HA -0.175 4.175 4.350 0.000 0.000 0.271 326 T C 1.153 175.819 174.700 -0.056 0.000 1.085 326 T CA 0.972 63.033 62.100 -0.066 0.000 1.125 326 T CB 0.086 68.930 68.868 -0.041 0.000 0.874 326 T HN 0.187 nan 8.240 nan 0.000 0.494 327 D N 0.284 120.660 120.400 -0.039 0.000 2.402 327 D HA 0.541 5.181 4.640 0.000 0.000 0.216 327 D C 1.879 178.165 176.300 -0.023 0.000 1.128 327 D CA 0.302 54.287 54.000 -0.025 0.000 0.833 327 D CB -0.101 40.691 40.800 -0.013 0.000 0.971 327 D HN 0.397 nan 8.370 nan 0.000 0.503 328 A N -0.195 122.603 122.820 -0.038 0.000 1.978 328 A HA -0.074 4.247 4.320 0.000 0.000 0.220 328 A C 1.732 179.309 177.584 -0.012 0.000 1.170 328 A CA 0.876 52.898 52.037 -0.024 0.000 0.636 328 A CB -0.335 18.643 19.000 -0.037 0.000 0.810 328 A HN 0.375 nan 8.150 nan 0.000 0.448 329 L N -0.122 121.089 121.223 -0.020 0.000 2.685 329 L HA 0.279 4.619 4.340 0.000 0.000 0.233 329 L C 0.958 177.838 176.870 0.017 0.000 1.173 329 L CA -0.381 54.466 54.840 0.011 0.000 0.961 329 L CB -0.144 41.934 42.059 0.032 0.000 1.217 329 L HN 0.343 nan 8.230 nan 0.000 0.478 330 A N -0.052 122.773 122.820 0.008 0.000 2.520 330 A HA 0.415 4.735 4.320 0.000 0.000 0.245 330 A C 1.500 179.093 177.584 0.015 0.000 1.072 330 A CA 0.716 52.761 52.037 0.012 0.000 0.761 330 A CB -0.085 18.919 19.000 0.007 0.000 1.004 330 A HN 0.614 nan 8.150 nan 0.000 0.499 331 G N 1.065 109.876 108.800 0.018 0.000 2.212 331 G HA2 -0.210 3.750 3.960 0.000 0.000 0.266 331 G HA3 -0.210 3.750 3.960 0.000 0.000 0.266 331 G C 0.283 175.194 174.900 0.017 0.000 0.978 331 G CA 0.289 45.399 45.100 0.017 0.000 0.632 331 G HN 1.477 nan 8.290 nan 0.000 0.537 332 V N 3.737 123.664 119.914 0.022 0.000 2.455 332 V HA 0.435 4.555 4.120 0.000 0.000 0.273 332 V C -0.706 175.408 176.094 0.034 0.000 1.045 332 V CA -1.126 61.186 62.300 0.020 0.000 0.976 332 V CB 1.101 32.940 31.823 0.025 0.000 0.993 332 V HN 0.324 nan 8.190 nan 0.000 0.475 333 P HA 0.202 nan 4.420 nan 0.000 0.272 333 P C 0.294 177.632 177.300 0.064 0.000 1.223 333 P CA -0.495 62.633 63.100 0.047 0.000 0.784 333 P CB 1.390 33.114 31.700 0.039 0.000 0.923 334 K N 0.811 121.269 120.400 0.097 0.000 2.057 334 K HA 0.029 4.349 4.320 0.000 0.000 0.206 334 K C 0.324 176.988 176.600 0.107 0.000 1.050 334 K CA 1.279 57.654 56.287 0.147 0.000 0.935 334 K CB -0.229 32.389 32.500 0.198 0.000 0.715 334 K HN 0.325 nan 8.250 nan 0.000 0.439 335 V N 0.296 120.250 119.914 0.067 0.000 2.709 335 V HA 0.449 4.569 4.120 0.000 0.000 0.308 335 V C -1.135 174.982 176.094 0.038 0.000 1.062 335 V CA -1.003 61.295 62.300 -0.003 0.000 0.901 335 V CB 1.902 33.739 31.823 0.023 0.000 1.003 335 V HN 0.109 nan 8.190 nan 0.000 0.425 336 R N 4.147 124.664 120.500 0.029 0.000 2.502 336 R HA 0.759 5.099 4.340 0.000 0.000 0.298 336 R C -1.938 174.505 176.300 0.237 0.000 1.018 336 R CA -0.454 55.723 56.100 0.129 0.000 0.899 336 R CB 1.258 31.598 30.300 0.066 0.000 1.181 336 R HN 0.735 nan 8.270 nan 0.000 0.444 337 L N 4.326 125.723 121.223 0.289 0.000 2.362 337 L HA 0.526 4.866 4.340 0.000 0.000 0.271 337 L C -0.666 176.285 176.870 0.136 0.000 1.002 337 L CA -1.046 53.934 54.840 0.233 0.000 0.818 337 L CB 1.849 44.065 42.059 0.262 0.000 1.298 337 L HN 0.546 nan 8.230 nan 0.000 0.420 338 F N 3.047 122.745 119.950 -0.419 0.000 2.404 338 F HA 0.348 4.875 4.527 0.000 0.000 0.359 338 F C -0.031 175.595 175.800 -0.291 0.000 1.134 338 F CA -0.468 57.036 58.000 -0.827 0.000 1.160 338 F CB 0.847 38.923 39.000 -1.540 0.000 1.186 338 F HN 0.051 nan 8.300 nan 0.000 0.526 339 V N 8.301 127.833 119.914 -0.636 0.000 2.389 339 V HA 0.109 4.229 4.120 0.000 0.000 0.264 339 V C 0.623 176.359 176.094 -0.596 0.000 1.049 339 V CA -0.382 61.644 62.300 -0.457 0.000 0.932 339 V CB 0.355 31.984 31.823 -0.323 0.000 1.011 339 V HN 0.760 nan 8.190 nan 0.000 0.475 340 M N 3.474 122.841 119.600 -0.387 0.000 2.198 340 M HA 0.459 4.939 4.480 0.000 0.000 0.315 340 M C 1.553 177.736 176.300 -0.196 0.000 1.134 340 M CA 1.270 56.456 55.300 -0.190 0.000 1.171 340 M CB 0.516 33.059 32.600 -0.095 0.000 1.413 340 M HN 0.872 nan 8.290 nan 0.000 0.467 341 G N 1.207 109.977 108.800 -0.049 0.000 4.890 341 G HA2 -0.318 3.642 3.960 0.000 0.000 0.221 341 G HA3 -0.318 3.642 3.960 0.000 0.000 0.221 341 G C 0.655 175.479 174.900 -0.127 0.000 1.472 341 G CA 0.494 45.502 45.100 -0.153 0.000 0.962 341 G HN 0.861 nan 8.290 nan 0.000 0.671 342 I N -1.449 119.014 120.570 -0.179 0.000 2.614 342 I HA 0.221 4.391 4.170 0.000 0.000 0.258 342 I C 0.550 176.573 176.117 -0.156 0.000 1.189 342 I CA 1.400 62.609 61.300 -0.151 0.000 1.462 342 I CB -0.444 37.457 38.000 -0.165 0.000 1.092 342 I HN 0.212 nan 8.210 nan 0.000 0.442 343 D N 2.575 122.824 120.400 -0.251 0.000 2.746 343 D HA -0.159 4.481 4.640 0.000 0.000 0.241 343 D C -0.371 175.592 176.300 -0.562 0.000 1.140 343 D CA 0.960 54.778 54.000 -0.302 0.000 0.707 343 D CB -1.048 39.885 40.800 0.222 0.000 1.034 343 D HN 0.735 nan 8.370 nan 0.000 0.423 344 E N -0.991 118.642 120.200 -0.944 0.000 2.314 344 E HA 0.418 4.768 4.350 0.000 0.000 0.272 344 E C -0.311 175.879 176.600 -0.683 0.000 0.884 344 E CA -0.885 55.179 56.400 -0.559 0.000 0.753 344 E CB 1.132 30.694 29.700 -0.230 0.000 1.213 344 E HN 0.049 nan 8.360 nan 0.000 0.432 345 W N 1.802 122.981 121.300 -0.202 0.000 2.190 345 W HA 0.318 4.978 4.660 0.001 0.000 0.330 345 W C 0.565 177.045 176.519 -0.065 0.000 1.299 345 W CA 0.067 57.378 57.345 -0.056 0.000 1.215 345 W CB 0.712 30.219 29.460 0.079 0.000 1.147 345 W HN 0.170 nan 8.180 nan 0.000 0.563 346 R N 1.839 122.478 120.500 0.232 0.000 2.584 346 R HA 0.176 4.517 4.340 0.000 0.000 0.276 346 R C -1.486 174.900 176.300 0.143 0.000 1.046 346 R CA -0.778 55.399 56.100 0.128 0.000 0.906 346 R CB 1.271 31.595 30.300 0.039 0.000 1.215 346 R HN 0.334 nan 8.270 nan 0.000 0.449 347 D N 2.495 122.957 120.400 0.104 0.000 2.255 347 D HA 0.265 4.906 4.640 0.000 0.000 0.249 347 D C -0.274 176.077 176.300 0.084 0.000 1.078 347 D CA 0.149 54.203 54.000 0.089 0.000 0.896 347 D CB 1.362 42.201 40.800 0.065 0.000 1.194 347 D HN 0.303 nan 8.370 nan 0.000 0.429 348 E N -0.362 119.894 120.200 0.094 0.000 2.416 348 E HA 0.248 4.598 4.350 0.000 0.000 0.273 348 E C 0.477 177.142 176.600 0.108 0.000 0.935 348 E CA -0.489 55.971 56.400 0.101 0.000 0.784 348 E CB 1.659 31.438 29.700 0.133 0.000 1.301 348 E HN 0.401 nan 8.360 nan 0.000 0.454 349 T N -3.046 111.575 114.554 0.111 0.000 3.057 349 T HA 0.153 4.503 4.350 0.000 0.000 0.254 349 T C 0.239 175.045 174.700 0.177 0.000 1.094 349 T CA 0.341 62.516 62.100 0.124 0.000 1.088 349 T CB 0.327 69.252 68.868 0.096 0.000 0.934 349 T HN 0.233 nan 8.240 nan 0.000 0.497 350 D N -1.155 119.365 120.400 0.200 0.000 2.622 350 D HA 0.339 4.980 4.640 0.000 0.000 0.255 350 D C -2.225 174.277 176.300 0.338 0.000 1.246 350 D CA -0.695 53.480 54.000 0.292 0.000 0.795 350 D CB 1.806 42.734 40.800 0.213 0.000 1.369 350 D HN 0.171 nan 8.370 nan 0.000 0.425 351 W N 3.241 124.704 121.300 0.272 0.000 2.781 351 W HA 0.447 5.107 4.660 0.000 0.000 0.333 351 W C -2.872 173.831 176.519 0.307 0.000 1.047 351 W CA -1.825 55.636 57.345 0.193 0.000 1.236 351 W CB 1.625 31.071 29.460 -0.024 0.000 1.394 351 W HN 0.187 nan 8.180 nan 0.000 0.466 352 P HA -0.024 nan 4.420 nan 0.000 0.269 352 P C -0.198 176.936 177.300 -0.277 0.000 1.217 352 P CA -0.018 62.632 63.100 -0.750 0.000 0.783 352 P CB 0.675 32.121 31.700 -0.424 0.000 0.898 353 L N 4.297 125.339 121.223 -0.302 0.000 2.461 353 L HA 0.084 4.424 4.340 0.000 0.000 0.272 353 L C -1.182 175.642 176.870 -0.077 0.000 1.197 353 L CA -0.737 54.044 54.840 -0.099 0.000 0.836 353 L CB -0.641 41.364 42.059 -0.089 0.000 1.105 353 L HN 0.416 nan 8.230 nan 0.000 0.477 354 P HA -0.149 nan 4.420 nan 0.000 0.216 354 P C 0.314 177.600 177.300 -0.024 0.000 1.153 354 P CA 1.294 64.392 63.100 -0.002 0.000 0.858 354 P CB 0.239 31.949 31.700 0.017 0.000 0.789 355 D N -1.830 118.542 120.400 -0.046 0.000 2.395 355 D HA 0.049 4.689 4.640 0.000 0.000 0.226 355 D C -0.117 176.121 176.300 -0.103 0.000 1.146 355 D CA 0.341 54.310 54.000 -0.053 0.000 0.830 355 D CB -0.518 40.258 40.800 -0.039 0.000 0.958 355 D HN 0.090 nan 8.370 nan 0.000 0.501 356 T N 1.106 115.559 114.554 -0.167 0.000 2.817 356 T HA 0.325 4.675 4.350 0.000 0.000 0.295 356 T C 0.374 174.870 174.700 -0.340 0.000 0.958 356 T CA -0.205 61.692 62.100 -0.338 0.000 1.157 356 T CB 1.139 69.663 68.868 -0.574 0.000 0.898 356 T HN 0.036 nan 8.240 nan 0.000 0.536 357 A N 4.337 126.986 122.820 -0.285 0.000 2.341 357 A HA 0.475 4.795 4.320 0.000 0.000 0.326 357 A C -0.563 176.908 177.584 -0.188 0.000 1.402 357 A CA -0.656 51.287 52.037 -0.156 0.000 0.957 357 A CB -0.171 18.788 19.000 -0.067 0.000 1.151 357 A HN 0.836 nan 8.150 nan 0.000 0.533 358 Y N 2.183 122.480 120.300 -0.006 0.000 2.680 358 Y HA 0.216 4.766 4.550 0.000 0.000 0.356 358 Y C 0.746 176.658 175.900 0.020 0.000 1.122 358 Y CA 0.667 58.770 58.100 0.005 0.000 1.509 358 Y CB 0.275 38.733 38.460 -0.003 0.000 1.245 358 Y HN 0.537 nan 8.280 nan 0.000 0.513 359 T N 6.381 121.025 114.554 0.150 0.000 2.770 359 T HA 0.312 4.662 4.350 0.000 0.000 0.283 359 T C -2.656 172.131 174.700 0.145 0.000 0.988 359 T CA -1.993 60.180 62.100 0.121 0.000 0.957 359 T CB 1.261 70.227 68.868 0.163 0.000 0.930 359 T HN 0.172 nan 8.240 nan 0.000 0.443 360 P HA 0.325 nan 4.420 nan 0.000 0.271 360 P C -0.968 176.125 177.300 -0.344 0.000 1.220 360 P CA -0.379 62.546 63.100 -0.291 0.000 0.768 360 P CB 0.194 31.384 31.700 -0.850 0.000 0.848 361 F N 2.884 122.628 119.950 -0.343 0.000 2.403 361 F HA 0.351 4.878 4.527 0.000 0.000 0.355 361 F C 0.084 175.755 175.800 -0.215 0.000 1.119 361 F CA -0.444 57.427 58.000 -0.215 0.000 1.007 361 F CB 0.578 39.515 39.000 -0.106 0.000 1.194 361 F HN 0.250 nan 8.300 nan 0.000 0.443 362 Y N 3.375 123.745 120.300 0.116 0.000 2.309 362 Y HA 0.376 4.926 4.550 0.000 0.000 0.327 362 Y C 0.421 176.359 175.900 0.064 0.000 1.172 362 Y CA -0.713 57.448 58.100 0.102 0.000 1.280 362 Y CB 0.577 39.059 38.460 0.036 0.000 1.234 362 Y HN 0.292 nan 8.280 nan 0.000 0.512 363 L N 3.207 124.511 121.223 0.136 0.000 2.410 363 L HA 0.500 4.840 4.340 0.000 0.000 0.273 363 L C 0.750 177.688 176.870 0.114 0.000 1.152 363 L CA 0.122 54.935 54.840 -0.045 0.000 0.855 363 L CB 0.096 41.910 42.059 -0.410 0.000 1.129 363 L HN 0.899 nan 8.230 nan 0.000 0.463 364 G N 0.841 109.764 108.800 0.205 0.000 2.815 364 G HA2 0.766 4.727 3.960 0.000 0.000 0.305 364 G HA3 0.766 4.727 3.960 0.000 0.000 0.305 364 G C -0.735 174.297 174.900 0.220 0.000 1.277 364 G CA -0.235 44.978 45.100 0.188 0.000 0.795 364 G HN 0.949 nan 8.290 nan 0.000 0.528 365 G N -1.543 107.339 108.800 0.136 0.000 2.375 365 G HA2 0.455 4.415 3.960 0.000 0.000 0.663 365 G HA3 0.455 4.415 3.960 0.000 0.000 0.663 365 G C -0.494 174.449 174.900 0.071 0.000 1.391 365 G CA 0.021 45.182 45.100 0.101 0.000 0.949 365 G HN 1.324 nan 8.290 nan 0.000 0.646 366 S N 0.704 116.431 115.700 0.046 0.000 2.545 366 S HA 0.752 5.222 4.470 0.000 0.000 0.275 366 S C 1.212 175.829 174.600 0.028 0.000 1.299 366 S CA 1.342 59.562 58.200 0.033 0.000 1.048 366 S CB 0.962 64.176 63.200 0.023 0.000 0.938 366 S HN 2.560 nan 8.310 nan 0.000 0.496 367 G N 1.987 110.803 108.800 0.027 0.000 2.512 367 G HA2 0.084 4.044 3.960 0.000 0.000 0.254 367 G HA3 0.084 4.044 3.960 0.000 0.000 0.254 367 G C -0.210 174.705 174.900 0.024 0.000 1.199 367 G CA -0.355 44.758 45.100 0.021 0.000 0.941 367 G HN 1.365 nan 8.290 nan 0.000 0.569 368 A N -0.502 122.325 122.820 0.012 0.000 2.312 368 A HA 0.918 5.239 4.320 0.000 0.000 0.326 368 A C 0.995 178.559 177.584 -0.033 0.000 1.172 368 A CA 0.654 52.696 52.037 0.010 0.000 0.821 368 A CB 1.575 20.585 19.000 0.016 0.000 1.166 368 A HN 2.430 nan 8.150 nan 0.000 0.493 369 A N 2.354 125.134 122.820 -0.066 0.000 2.275 369 A HA 0.196 4.517 4.320 0.000 0.000 0.212 369 A C 0.448 177.901 177.584 -0.219 0.000 1.201 369 A CA -0.204 51.690 52.037 -0.238 0.000 0.843 369 A CB -0.689 17.974 19.000 -0.562 0.000 0.873 369 A HN 0.818 nan 8.150 nan 0.000 0.492 370 N N 2.057 120.704 118.700 -0.088 0.000 2.412 370 N HA 0.349 5.089 4.740 0.000 0.000 0.258 370 N C 0.301 175.765 175.510 -0.076 0.000 1.236 370 N CA 1.474 54.491 53.050 -0.056 0.000 0.882 370 N CB 0.043 38.537 38.487 0.011 0.000 1.066 370 N HN 0.567 nan 8.380 nan 0.000 0.465 371 T N -1.499 113.007 114.554 -0.080 0.000 0.541 371 T HA -0.231 4.119 4.350 0.000 0.000 0.774 371 T C 0.854 175.467 174.700 -0.145 0.000 0.992 371 T CA 0.282 62.337 62.100 -0.075 0.000 4.077 371 T CB -1.251 67.595 68.868 -0.038 0.000 2.303 371 T HN 0.777 nan 8.240 nan 0.000 0.398 372 S N -0.436 115.134 115.700 -0.217 0.000 2.507 372 S HA 0.044 4.514 4.470 0.000 0.000 0.235 372 S C 1.777 176.257 174.600 -0.201 0.000 0.988 372 S CA 1.363 59.356 58.200 -0.345 0.000 0.944 372 S CB -0.752 61.953 63.200 -0.826 0.000 0.762 372 S HN 2.004 nan 8.310 nan 0.000 0.526 373 T N -1.878 112.600 114.554 -0.127 0.000 3.105 373 T HA 0.476 4.826 4.350 0.000 0.000 0.253 373 T C 0.975 175.636 174.700 -0.065 0.000 1.047 373 T CA 0.002 62.056 62.100 -0.077 0.000 0.944 373 T CB 0.035 68.877 68.868 -0.044 0.000 1.016 373 T HN 0.384 nan 8.240 nan 0.000 0.544 374 G N 0.455 109.203 108.800 -0.087 0.000 2.570 374 G HA2 0.459 4.419 3.960 0.000 0.000 0.276 374 G HA3 0.459 4.419 3.960 0.000 0.000 0.276 374 G C 0.881 175.736 174.900 -0.074 0.000 1.346 374 G CA -0.362 44.691 45.100 -0.079 0.000 1.034 374 G HN 0.360 nan 8.290 nan 0.000 0.512 375 G N -1.138 107.626 108.800 -0.061 0.000 3.284 375 G HA2 0.424 4.385 3.960 0.000 0.000 0.236 375 G HA3 0.424 4.385 3.960 0.000 0.000 0.236 375 G C 0.807 175.694 174.900 -0.022 0.000 1.158 375 G CA 0.457 45.539 45.100 -0.030 0.000 0.774 375 G HN 0.858 nan 8.290 nan 0.000 0.545 376 G N 0.952 109.692 108.800 -0.101 0.000 2.340 376 G HA2 0.411 4.371 3.960 0.000 0.000 0.245 376 G HA3 0.411 4.371 3.960 0.000 0.000 0.245 376 G C 0.334 175.289 174.900 0.092 0.000 1.294 376 G CA 0.709 45.758 45.100 -0.085 0.000 0.896 376 G HN 0.440 nan 8.290 nan 0.000 0.522 377 T N -0.133 114.568 114.554 0.244 0.000 2.924 377 T HA 0.721 5.071 4.350 0.000 0.000 0.291 377 T C -0.315 174.540 174.700 0.258 0.000 1.045 377 T CA -0.966 61.256 62.100 0.204 0.000 1.015 377 T CB 1.817 70.768 68.868 0.138 0.000 1.103 377 T HN 0.318 nan 8.240 nan 0.000 0.496 378 L N 1.642 122.988 121.223 0.206 0.000 2.365 378 L HA 0.801 5.141 4.340 0.000 0.000 0.273 378 L C -0.114 176.880 176.870 0.207 0.000 1.000 378 L CA -0.791 54.182 54.840 0.222 0.000 0.819 378 L CB 2.109 44.306 42.059 0.230 0.000 1.284 378 L HN 0.922 nan 8.230 nan 0.000 0.418 379 S N -0.743 115.066 115.700 0.181 0.000 2.537 379 S HA 0.270 4.740 4.470 0.000 0.000 0.270 379 S C 0.542 175.089 174.600 -0.088 0.000 1.142 379 S CA -0.018 58.215 58.200 0.056 0.000 0.870 379 S CB 1.728 64.964 63.200 0.060 0.000 1.112 379 S HN 0.763 nan 8.310 nan 0.000 0.466 380 T N 0.679 115.041 114.554 -0.321 0.000 3.072 380 T HA 0.156 4.506 4.350 0.000 0.000 0.266 380 T C 0.634 175.322 174.700 -0.021 0.000 1.127 380 T CA 0.444 62.313 62.100 -0.385 0.000 1.107 380 T CB -0.298 68.270 68.868 -0.498 0.000 0.910 380 T HN 0.375 nan 8.240 nan 0.000 0.513 381 S N 1.020 116.717 115.700 -0.004 0.000 2.541 381 S HA 0.548 5.018 4.470 0.000 0.000 0.283 381 S C 0.249 174.748 174.600 -0.167 0.000 1.196 381 S CA -0.847 57.315 58.200 -0.064 0.000 1.062 381 S CB 0.850 64.005 63.200 -0.075 0.000 1.009 381 S HN 0.366 nan 8.310 nan 0.000 0.502 382 I N 2.278 122.537 120.570 -0.518 0.000 2.815 382 I HA -0.027 4.143 4.170 0.000 0.000 0.291 382 I C 1.083 177.019 176.117 -0.300 0.000 1.209 382 I CA 0.176 61.023 61.300 -0.754 0.000 1.431 382 I CB 0.505 38.088 38.000 -0.695 0.000 1.351 382 I HN 0.516 nan 8.210 nan 0.000 0.585 383 S N 4.077 119.662 115.700 -0.191 0.000 2.562 383 S HA 0.155 4.625 4.470 0.000 0.000 0.281 383 S C 1.225 175.776 174.600 -0.082 0.000 1.333 383 S CA 0.008 58.167 58.200 -0.069 0.000 1.052 383 S CB 1.050 64.253 63.200 0.004 0.000 0.884 383 S HN 0.810 nan 8.310 nan 0.000 0.506 384 G N 2.332 111.101 108.800 -0.051 0.000 2.494 384 G HA2 0.121 4.081 3.960 0.000 0.000 0.216 384 G HA3 0.121 4.081 3.960 0.000 0.000 0.216 384 G C 0.397 175.276 174.900 -0.034 0.000 1.140 384 G CA 0.739 45.809 45.100 -0.050 0.000 0.801 384 G HN 0.851 nan 8.290 nan 0.000 0.536 385 T N -0.713 113.833 114.554 -0.013 0.000 2.824 385 T HA 0.520 4.871 4.350 0.000 0.000 0.282 385 T C -0.706 174.004 174.700 0.016 0.000 0.993 385 T CA -0.833 61.266 62.100 -0.000 0.000 0.967 385 T CB 2.643 71.516 68.868 0.008 0.000 0.960 385 T HN -0.062 nan 8.240 nan 0.000 0.441 386 E N 1.849 122.061 120.200 0.021 0.000 2.465 386 E HA 0.361 4.711 4.350 0.000 0.000 0.260 386 E C -0.083 176.551 176.600 0.056 0.000 0.980 386 E CA 0.257 56.689 56.400 0.053 0.000 0.927 386 E CB 1.138 30.878 29.700 0.067 0.000 0.934 386 E HN 0.715 nan 8.360 nan 0.000 0.459 387 S N 0.226 115.967 115.700 0.069 0.000 2.643 387 S HA 0.771 5.241 4.470 0.000 0.000 0.270 387 S C -1.900 172.722 174.600 0.037 0.000 1.166 387 S CA -0.116 58.117 58.200 0.054 0.000 0.815 387 S CB 1.559 64.793 63.200 0.057 0.000 1.139 387 S HN 0.550 nan 8.310 nan 0.000 0.472 388 A N 1.653 124.474 122.820 0.002 0.000 2.517 388 A HA 0.675 4.996 4.320 0.000 0.000 0.297 388 A C -2.071 175.502 177.584 -0.019 0.000 1.050 388 A CA -0.682 51.306 52.037 -0.082 0.000 0.694 388 A CB 1.317 20.170 19.000 -0.245 0.000 1.277 388 A HN 0.663 nan 8.150 nan 0.000 0.400 389 D N 1.649 122.064 120.400 0.024 0.000 2.192 389 D HA 0.612 5.253 4.640 0.000 0.000 0.246 389 D C -0.591 175.764 176.300 0.091 0.000 1.042 389 D CA 0.270 54.330 54.000 0.100 0.000 0.847 389 D CB 2.001 42.923 40.800 0.204 0.000 1.186 389 D HN 0.401 nan 8.370 nan 0.000 0.461 390 T N 1.597 116.212 114.554 0.102 0.000 2.876 390 T HA 0.582 4.933 4.350 0.000 0.000 0.289 390 T C -0.781 174.015 174.700 0.159 0.000 1.014 390 T CA -0.712 61.410 62.100 0.037 0.000 0.986 390 T CB 1.035 69.898 68.868 -0.008 0.000 1.021 390 T HN 0.364 nan 8.240 nan 0.000 0.458 391 Y N 0.413 120.765 120.300 0.086 0.000 2.625 391 Y HA 0.808 5.358 4.550 0.000 0.000 0.338 391 Y C -1.700 174.255 175.900 0.092 0.000 1.123 391 Y CA -1.825 56.326 58.100 0.084 0.000 1.046 391 Y CB 0.837 39.354 38.460 0.096 0.000 1.299 391 Y HN 0.505 nan 8.280 nan 0.000 0.464 392 L N 3.243 124.622 121.223 0.261 0.000 2.264 392 L HA 0.418 4.758 4.340 0.000 0.000 0.289 392 L C -1.213 175.849 176.870 0.320 0.000 1.044 392 L CA -0.618 54.328 54.840 0.177 0.000 0.807 392 L CB 0.411 42.530 42.059 0.099 0.000 1.192 392 L HN 0.689 nan 8.230 nan 0.000 0.425 393 Y N 4.917 125.303 120.300 0.143 0.000 2.353 393 Y HA 0.465 5.015 4.550 0.000 0.000 0.340 393 Y C -0.949 174.975 175.900 0.040 0.000 0.972 393 Y CA -1.124 57.053 58.100 0.128 0.000 1.157 393 Y CB 0.802 39.338 38.460 0.128 0.000 1.157 393 Y HN 0.670 nan 8.280 nan 0.000 0.495 394 D N 8.693 128.895 120.400 -0.329 0.000 2.414 394 D HA 0.347 4.988 4.640 0.000 0.000 0.232 394 D C -2.198 173.805 176.300 -0.495 0.000 1.070 394 D CA -2.616 51.136 54.000 -0.413 0.000 0.839 394 D CB 2.314 43.026 40.800 -0.145 0.000 1.079 394 D HN 0.323 nan 8.370 nan 0.000 0.521 395 P HA -0.104 nan 4.420 nan 0.000 0.218 395 P C 0.873 178.060 177.300 -0.189 0.000 1.146 395 P CA 1.002 63.902 63.100 -0.333 0.000 0.813 395 P CB 0.275 31.814 31.700 -0.270 0.000 0.778 396 A N -1.042 121.676 122.820 -0.169 0.000 2.119 396 A HA -0.093 4.228 4.320 0.000 0.000 0.217 396 A C 1.127 178.660 177.584 -0.085 0.000 1.153 396 A CA 1.186 53.151 52.037 -0.120 0.000 0.692 396 A CB -0.678 18.268 19.000 -0.090 0.000 0.799 396 A HN 0.095 nan 8.150 nan 0.000 0.458 397 D N -0.444 119.922 120.400 -0.057 0.000 2.513 397 D HA 0.277 4.917 4.640 0.000 0.000 0.295 397 D C -2.873 173.470 176.300 0.071 0.000 1.202 397 D CA -2.051 51.950 54.000 0.002 0.000 0.849 397 D CB 1.121 41.930 40.800 0.015 0.000 1.116 397 D HN 0.129 nan 8.370 nan 0.000 0.502 398 P HA 0.115 nan 4.420 nan 0.000 0.274 398 P C -0.028 177.358 177.300 0.143 0.000 1.237 398 P CA -0.539 62.657 63.100 0.160 0.000 0.793 398 P CB 1.164 32.914 31.700 0.084 0.000 0.977 399 V N 3.802 123.794 119.914 0.130 0.000 2.485 399 V HA 0.064 4.184 4.120 0.000 0.000 0.287 399 V C -1.657 174.524 176.094 0.145 0.000 1.022 399 V CA -0.923 61.440 62.300 0.105 0.000 1.067 399 V CB -0.206 31.654 31.823 0.062 0.000 0.967 399 V HN 0.603 nan 8.190 nan 0.000 0.479 400 P HA 0.147 nan 4.420 nan 0.000 0.271 400 P C -0.250 177.119 177.300 0.116 0.000 1.216 400 P CA -0.161 63.028 63.100 0.148 0.000 0.776 400 P CB 0.569 32.345 31.700 0.128 0.000 0.881 401 S N 2.163 117.926 115.700 0.105 0.000 2.549 401 S HA 0.256 4.726 4.470 0.000 0.000 0.283 401 S C 0.109 174.764 174.600 0.092 0.000 1.320 401 S CA 0.047 58.297 58.200 0.083 0.000 1.058 401 S CB -0.243 62.984 63.200 0.046 0.000 0.882 401 S HN 0.379 nan 8.310 nan 0.000 0.498 402 L N 3.361 124.622 121.223 0.062 0.000 2.518 402 L HA 0.602 4.942 4.340 0.000 0.000 0.262 402 L C 0.435 177.319 176.870 0.024 0.000 0.982 402 L CA 1.021 55.881 54.840 0.033 0.000 0.873 402 L CB 0.165 42.236 42.059 0.019 0.000 1.198 402 L HN 0.941 nan 8.230 nan 0.000 0.427 403 G N 3.043 111.845 108.800 0.002 0.000 2.528 403 G HA2 0.258 4.218 3.960 0.000 0.000 0.262 403 G HA3 0.258 4.218 3.960 0.000 0.000 0.262 403 G C 0.743 175.684 174.900 0.068 0.000 1.200 403 G CA 0.146 45.243 45.100 -0.005 0.000 0.951 403 G HN 2.104 nan 8.290 nan 0.000 0.566 404 G N -2.427 106.470 108.800 0.162 0.000 2.528 404 G HA2 0.186 4.146 3.960 0.000 0.000 0.262 404 G HA3 0.186 4.146 3.960 0.000 0.000 0.262 404 G C 1.181 176.244 174.900 0.271 0.000 1.200 404 G CA 2.341 47.604 45.100 0.272 0.000 0.951 404 G HN 2.706 nan 8.290 nan 0.000 0.566 405 T N -0.697 113.946 114.554 0.149 0.000 3.243 405 T HA 0.619 4.969 4.350 0.000 0.000 0.264 405 T C 0.988 175.693 174.700 0.009 0.000 1.000 405 T CA 0.187 62.348 62.100 0.102 0.000 0.901 405 T CB -0.262 68.641 68.868 0.059 0.000 1.083 405 T HN 0.661 nan 8.240 nan 0.000 0.559 406 L N 1.343 122.571 121.223 0.008 0.000 2.559 406 L HA 0.133 4.473 4.340 0.000 0.000 0.282 406 L C 1.429 178.286 176.870 -0.021 0.000 1.232 406 L CA -0.048 54.784 54.840 -0.014 0.000 0.885 406 L CB 0.486 42.555 42.059 0.016 0.000 1.131 406 L HN 0.300 nan 8.230 nan 0.000 0.498 407 L N 1.915 123.110 121.223 -0.046 0.000 2.262 407 L HA 0.055 4.395 4.340 0.000 0.000 0.197 407 L C 1.332 177.987 176.870 -0.359 0.000 1.073 407 L CA 0.870 55.583 54.840 -0.212 0.000 0.800 407 L CB 0.025 41.935 42.059 -0.248 0.000 0.987 407 L HN 0.555 nan 8.230 nan 0.000 0.470 408 F N -2.280 117.737 119.950 0.112 0.000 2.619 408 F HA 0.129 4.656 4.527 0.000 0.000 0.281 408 F C 1.041 176.902 175.800 0.103 0.000 1.065 408 F CA -0.487 57.589 58.000 0.125 0.000 1.304 408 F CB 0.014 39.110 39.000 0.160 0.000 1.059 408 F HN -0.031 nan 8.300 nan 0.000 0.648 409 H N 2.056 121.227 119.070 0.168 0.000 2.934 409 H HA 0.204 4.760 4.556 0.000 0.000 0.273 409 H C 0.151 175.495 175.328 0.027 0.000 1.121 409 H CA -0.544 55.544 56.048 0.067 0.000 1.451 409 H CB -0.423 29.336 29.762 -0.005 0.000 1.469 409 H HN 0.030 nan 8.280 nan 0.000 0.476 410 N N 3.338 121.810 118.700 -0.380 0.000 2.699 410 N HA -0.162 4.578 4.740 0.000 0.000 0.256 410 N C 0.767 176.196 175.510 -0.135 0.000 0.993 410 N CA 1.101 53.974 53.050 -0.294 0.000 0.759 410 N CB -1.017 37.207 38.487 -0.439 0.000 0.906 410 N HN 0.909 nan 8.380 nan 0.000 0.541 411 G N -0.018 108.742 108.800 -0.067 0.000 3.262 411 G HA2 -0.029 3.931 3.960 0.000 0.000 0.228 411 G HA3 -0.029 3.931 3.960 0.000 0.000 0.228 411 G C 0.614 175.503 174.900 -0.019 0.000 1.197 411 G CA 0.244 45.325 45.100 -0.033 0.000 0.819 411 G HN 0.455 nan 8.290 nan 0.000 0.531 412 D N -1.122 119.256 120.400 -0.037 0.000 2.538 412 D HA 0.086 4.726 4.640 0.000 0.000 0.231 412 D C 0.344 176.618 176.300 -0.045 0.000 1.229 412 D CA -0.698 53.286 54.000 -0.026 0.000 0.828 412 D CB 0.074 40.857 40.800 -0.029 0.000 1.035 412 D HN 0.080 nan 8.370 nan 0.000 0.495 413 N N 0.007 118.666 118.700 -0.069 0.000 2.636 413 N HA 0.223 4.963 4.740 0.000 0.000 0.287 413 N C 1.357 176.763 175.510 -0.172 0.000 1.817 413 N CA 0.104 53.088 53.050 -0.111 0.000 0.842 413 N CB 0.634 39.059 38.487 -0.103 0.000 1.353 413 N HN 0.046 nan 8.380 nan 0.000 0.500 414 G N 1.364 110.020 108.800 -0.241 0.000 2.553 414 G HA2 -0.188 3.772 3.960 0.000 0.000 0.218 414 G HA3 -0.188 3.772 3.960 0.000 0.000 0.218 414 G C -1.332 173.110 174.900 -0.764 0.000 1.195 414 G CA 0.646 45.441 45.100 -0.510 0.000 0.779 414 G HN 0.425 nan 8.290 nan 0.000 0.577 415 P HA 0.398 nan 4.420 nan 0.000 0.226 415 P C -0.269 176.913 177.300 -0.195 0.000 1.783 415 P CA -0.115 62.750 63.100 -0.391 0.000 0.980 415 P CB 0.011 31.602 31.700 -0.182 0.000 1.967 416 A N 1.666 124.403 122.820 -0.138 0.000 2.388 416 A HA 0.226 4.546 4.320 0.000 0.000 0.257 416 A C 0.294 177.835 177.584 -0.071 0.000 1.095 416 A CA -0.339 51.636 52.037 -0.102 0.000 0.791 416 A CB 0.020 18.978 19.000 -0.071 0.000 1.029 416 A HN 0.219 nan 8.150 nan 0.000 0.489 417 D N 1.047 121.389 120.400 -0.096 0.000 2.417 417 D HA 0.100 4.740 4.640 0.000 0.000 0.250 417 D C 0.722 176.969 176.300 -0.089 0.000 1.166 417 D CA 0.216 54.162 54.000 -0.091 0.000 0.881 417 D CB 0.795 41.526 40.800 -0.115 0.000 1.164 417 D HN 0.404 nan 8.370 nan 0.000 0.467 418 Q N 3.300 123.047 119.800 -0.089 0.000 2.392 418 Q HA 0.077 4.418 4.340 0.000 0.000 0.203 418 Q C 1.661 177.414 176.000 -0.412 0.000 0.917 418 Q CA 0.109 55.834 55.803 -0.131 0.000 0.939 418 Q CB 0.163 28.899 28.738 -0.004 0.000 1.063 418 Q HN 0.554 nan 8.270 nan 0.000 0.516 419 R N 0.749 120.951 120.500 -0.496 0.000 2.133 419 R HA -0.167 4.174 4.340 0.000 0.000 0.247 419 R C -0.716 175.323 176.300 -0.435 0.000 1.151 419 R CA 1.487 57.135 56.100 -0.753 0.000 0.971 419 R CB -1.197 28.944 30.300 -0.265 0.000 0.866 419 R HN 0.207 nan 8.270 nan 0.000 0.447 420 P HA -0.162 nan 4.420 nan 0.000 0.218 420 P C 1.124 178.380 177.300 -0.073 0.000 1.146 420 P CA 1.413 64.448 63.100 -0.109 0.000 0.813 420 P CB -0.056 31.603 31.700 -0.068 0.000 0.778 421 I N -4.877 115.634 120.570 -0.099 0.000 4.244 421 I HA 0.111 4.282 4.170 0.000 0.000 0.318 421 I C 1.906 178.057 176.117 0.057 0.000 1.282 421 I CA 0.009 61.304 61.300 -0.009 0.000 1.276 421 I CB -1.106 36.901 38.000 0.012 0.000 1.183 421 I HN -0.041 nan 8.210 nan 0.000 0.431 422 H N 1.359 120.438 119.070 0.014 0.000 2.573 422 H HA 0.019 4.575 4.556 0.000 0.000 0.279 422 H C 0.491 175.817 175.328 -0.004 0.000 1.066 422 H CA 0.574 56.625 56.048 0.005 0.000 1.179 422 H CB -0.642 29.128 29.762 0.013 0.000 1.303 422 H HN 0.597 nan 8.280 nan 0.000 0.626 423 D N 0.923 121.457 120.400 0.223 0.000 2.367 423 D HA -0.030 4.611 4.640 0.000 0.000 0.207 423 D C 0.385 176.725 176.300 0.066 0.000 1.034 423 D CA -0.353 53.727 54.000 0.133 0.000 0.861 423 D CB 0.150 41.014 40.800 0.107 0.000 0.943 423 D HN 0.313 nan 8.370 nan 0.000 0.515 424 R N 1.235 121.769 120.500 0.057 0.000 2.491 424 R HA 0.070 4.410 4.340 0.000 0.000 0.283 424 R C 0.501 176.810 176.300 0.014 0.000 1.072 424 R CA -0.154 55.966 56.100 0.034 0.000 1.048 424 R CB 0.772 31.091 30.300 0.031 0.000 0.983 424 R HN -0.051 nan 8.270 nan 0.000 0.450 425 D N 1.365 121.780 120.400 0.025 0.000 2.265 425 D HA -0.171 4.469 4.640 0.000 0.000 0.208 425 D C 0.880 177.185 176.300 0.008 0.000 0.977 425 D CA 1.341 55.360 54.000 0.031 0.000 0.871 425 D CB 0.193 41.031 40.800 0.062 0.000 0.925 425 D HN 0.598 nan 8.370 nan 0.000 0.485 426 D N -0.618 119.760 120.400 -0.037 0.000 2.328 426 D HA -0.037 4.603 4.640 0.000 0.000 0.226 426 D C -0.184 175.862 176.300 -0.424 0.000 1.066 426 D CA -0.049 53.795 54.000 -0.260 0.000 0.861 426 D CB -0.065 40.700 40.800 -0.057 0.000 0.912 426 D HN 0.014 nan 8.370 nan 0.000 0.521 427 V N 1.834 121.628 119.914 -0.200 0.000 2.294 427 V HA 0.245 4.365 4.120 0.000 0.000 0.272 427 V C 0.216 176.238 176.094 -0.120 0.000 1.027 427 V CA -0.764 61.454 62.300 -0.137 0.000 0.823 427 V CB 1.187 32.999 31.823 -0.018 0.000 1.030 427 V HN 0.110 nan 8.190 nan 0.000 0.457 428 L N 4.445 125.594 121.223 -0.123 0.000 2.305 428 L HA 0.486 4.827 4.340 0.000 0.000 0.281 428 L C -0.284 176.492 176.870 -0.156 0.000 1.085 428 L CA -0.105 54.661 54.840 -0.123 0.000 0.813 428 L CB 1.003 43.092 42.059 0.049 0.000 1.157 428 L HN 0.549 nan 8.230 nan 0.000 0.436 429 C N 2.979 122.056 119.300 -0.373 0.000 2.379 429 C HA 0.633 5.093 4.460 0.000 0.000 0.323 429 C C -0.634 174.053 174.990 -0.505 0.000 1.262 429 C CA -0.834 58.024 59.018 -0.267 0.000 1.581 429 C CB 0.550 28.180 27.740 -0.183 0.000 2.221 429 C HN 0.537 nan 8.230 nan 0.000 0.497 430 Y N 1.148 121.469 120.300 0.034 0.000 2.346 430 Y HA 0.566 5.117 4.550 0.000 0.000 0.332 430 Y C 0.324 176.247 175.900 0.037 0.000 0.985 430 Y CA -0.330 57.797 58.100 0.044 0.000 1.112 430 Y CB 1.620 40.120 38.460 0.067 0.000 1.170 430 Y HN 0.608 nan 8.280 nan 0.000 0.447 431 S N 0.920 116.708 115.700 0.147 0.000 2.568 431 S HA 0.559 5.029 4.470 0.000 0.000 0.293 431 S C -0.214 174.443 174.600 0.094 0.000 1.089 431 S CA -1.030 57.226 58.200 0.094 0.000 0.945 431 S CB 1.622 64.853 63.200 0.052 0.000 1.077 431 S HN 0.700 nan 8.310 nan 0.000 0.485 432 T N 0.185 114.779 114.554 0.068 0.000 2.766 432 T HA 0.358 4.708 4.350 0.000 0.000 0.295 432 T C 0.098 174.831 174.700 0.055 0.000 1.024 432 T CA -0.680 61.465 62.100 0.074 0.000 1.018 432 T CB 0.188 69.090 68.868 0.056 0.000 1.002 432 T HN 0.457 nan 8.240 nan 0.000 0.532 433 E N 0.334 120.566 120.200 0.053 0.000 2.409 433 E HA 0.188 4.538 4.350 0.000 0.000 0.257 433 E C 0.097 176.721 176.600 0.040 0.000 1.150 433 E CA -0.363 56.062 56.400 0.041 0.000 0.942 433 E CB 0.643 30.364 29.700 0.036 0.000 0.979 433 E HN 0.503 nan 8.360 nan 0.000 0.447 434 V N 2.472 122.408 119.914 0.036 0.000 2.617 434 V HA -0.086 4.034 4.120 0.000 0.000 0.304 434 V C 0.712 176.831 176.094 0.043 0.000 1.040 434 V CA 0.386 62.710 62.300 0.041 0.000 1.149 434 V CB -0.271 31.571 31.823 0.031 0.000 0.914 434 V HN 0.357 nan 8.190 nan 0.000 0.487 435 L N 5.060 126.316 121.223 0.056 0.000 2.397 435 L HA 0.270 4.610 4.340 0.000 0.000 0.271 435 L C 1.463 178.360 176.870 0.044 0.000 1.148 435 L CA 0.070 54.940 54.840 0.050 0.000 0.825 435 L CB 1.149 43.242 42.059 0.058 0.000 1.117 435 L HN 0.900 nan 8.230 nan 0.000 0.456 436 T N -3.538 111.036 114.554 0.033 0.000 3.014 436 T HA 0.168 4.518 4.350 0.000 0.000 0.250 436 T C 0.358 175.071 174.700 0.021 0.000 1.060 436 T CA -0.193 61.923 62.100 0.026 0.000 1.040 436 T CB 0.253 69.133 68.868 0.020 0.000 0.971 436 T HN 0.438 nan 8.240 nan 0.000 0.497 437 D N 2.681 123.094 120.400 0.021 0.000 2.457 437 D HA 0.391 5.032 4.640 0.000 0.000 0.240 437 D C -2.817 173.493 176.300 0.015 0.000 1.041 437 D CA -1.747 52.262 54.000 0.015 0.000 0.861 437 D CB 2.373 43.181 40.800 0.013 0.000 1.394 437 D HN 0.109 nan 8.370 nan 0.000 0.473 438 P HA 0.086 nan 4.420 nan 0.000 0.271 438 P C -0.540 176.769 177.300 0.015 0.000 1.216 438 P CA -0.275 62.822 63.100 -0.004 0.000 0.776 438 P CB 0.962 32.644 31.700 -0.031 0.000 0.881 439 V N 3.042 122.983 119.914 0.045 0.000 2.407 439 V HA 0.254 4.374 4.120 0.000 0.000 0.291 439 V C 0.363 176.514 176.094 0.096 0.000 1.018 439 V CA -0.585 61.747 62.300 0.054 0.000 0.842 439 V CB 1.314 33.148 31.823 0.019 0.000 0.996 439 V HN 0.570 nan 8.190 nan 0.000 0.426 440 E N 3.872 124.089 120.200 0.029 0.000 2.227 440 E HA 0.545 4.896 4.350 0.000 0.000 0.282 440 E C -1.408 175.188 176.600 -0.005 0.000 1.015 440 E CA -0.424 55.974 56.400 -0.003 0.000 0.823 440 E CB 1.731 31.399 29.700 -0.054 0.000 1.081 440 E HN 0.482 nan 8.360 nan 0.000 0.396 441 V N 4.756 124.671 119.914 0.002 0.000 2.325 441 V HA 0.291 4.411 4.120 0.000 0.000 0.280 441 V C -0.636 175.387 176.094 -0.119 0.000 1.016 441 V CA -0.516 61.767 62.300 -0.029 0.000 0.818 441 V CB 1.576 33.458 31.823 0.097 0.000 1.019 441 V HN 0.713 nan 8.190 nan 0.000 0.434 442 T N 3.725 118.201 114.554 -0.130 0.000 2.985 442 T HA 0.796 5.146 4.350 0.000 0.000 0.315 442 T C 0.225 174.847 174.700 -0.131 0.000 1.001 442 T CA 0.031 62.062 62.100 -0.116 0.000 1.016 442 T CB 1.392 70.222 68.868 -0.062 0.000 0.993 442 T HN 1.161 nan 8.240 nan 0.000 0.454 443 G N 2.027 110.807 108.800 -0.034 0.000 2.352 443 G HA2 0.383 4.343 3.960 0.000 0.000 0.283 443 G HA3 0.383 4.343 3.960 0.000 0.000 0.283 443 G C -0.456 174.527 174.900 0.138 0.000 1.308 443 G CA -0.351 44.623 45.100 -0.211 0.000 0.892 443 G HN 0.799 nan 8.290 nan 0.000 0.504 444 T N -1.728 112.914 114.554 0.147 0.000 2.913 444 T HA 0.598 4.948 4.350 0.000 0.000 0.297 444 T C -0.012 174.793 174.700 0.174 0.000 1.029 444 T CA -0.324 61.918 62.100 0.237 0.000 1.104 444 T CB 1.610 70.611 68.868 0.222 0.000 0.964 444 T HN 1.240 nan 8.240 nan 0.000 0.532 445 V N 2.599 122.593 119.914 0.134 0.000 2.656 445 V HA 0.800 4.920 4.120 0.000 0.000 0.307 445 V C -0.002 176.134 176.094 0.070 0.000 1.051 445 V CA -0.739 61.617 62.300 0.092 0.000 0.893 445 V CB 1.837 33.696 31.823 0.060 0.000 0.999 445 V HN 1.350 nan 8.190 nan 0.000 0.426 446 S N 2.645 118.376 115.700 0.051 0.000 2.607 446 S HA 0.964 5.434 4.470 0.000 0.000 0.273 446 S C -0.799 173.790 174.600 -0.018 0.000 1.148 446 S CA -0.290 57.919 58.200 0.014 0.000 0.833 446 S CB 2.205 65.405 63.200 0.001 0.000 1.130 446 S HN 1.554 nan 8.310 nan 0.000 0.470 447 A N 1.356 124.140 122.820 -0.060 0.000 2.374 447 A HA 0.904 5.224 4.320 0.000 0.000 0.317 447 A C -0.766 176.687 177.584 -0.219 0.000 1.094 447 A CA -0.971 50.987 52.037 -0.132 0.000 0.765 447 A CB 1.252 20.200 19.000 -0.087 0.000 1.268 447 A HN 0.693 nan 8.150 nan 0.000 0.438 448 R N 1.790 122.044 120.500 -0.410 0.000 2.388 448 R HA 0.520 4.860 4.340 0.000 0.000 0.314 448 R C -1.563 174.511 176.300 -0.377 0.000 0.959 448 R CA -0.215 55.624 56.100 -0.434 0.000 0.851 448 R CB 0.987 30.957 30.300 -0.549 0.000 1.168 448 R HN 0.672 nan 8.270 nan 0.000 0.472 449 L N 3.137 124.177 121.223 -0.306 0.000 2.346 449 L HA 0.574 4.914 4.340 0.000 0.000 0.274 449 L C -0.520 176.171 176.870 -0.298 0.000 1.007 449 L CA -0.974 53.744 54.840 -0.203 0.000 0.818 449 L CB 1.439 43.389 42.059 -0.182 0.000 1.284 449 L HN 0.320 nan 8.230 nan 0.000 0.424 450 F N 2.679 122.607 119.950 -0.036 0.000 2.391 450 F HA 0.485 5.012 4.527 0.000 0.000 0.359 450 F C 0.310 176.106 175.800 -0.007 0.000 1.122 450 F CA -0.647 57.352 58.000 -0.001 0.000 1.120 450 F CB 1.462 40.511 39.000 0.082 0.000 1.142 450 F HN 0.125 nan 8.300 nan 0.000 0.483 451 V N 0.333 120.273 119.914 0.043 0.000 3.001 451 V HA 0.965 5.085 4.120 0.000 0.000 0.314 451 V C -0.572 175.609 176.094 0.145 0.000 1.099 451 V CA -0.843 61.406 62.300 -0.086 0.000 0.989 451 V CB 1.713 33.036 31.823 -0.834 0.000 1.040 451 V HN 0.693 nan 8.190 nan 0.000 0.434 452 S N 1.278 117.124 115.700 0.243 0.000 2.588 452 S HA 0.879 5.349 4.470 0.000 0.000 0.275 452 S C -0.665 174.117 174.600 0.303 0.000 1.130 452 S CA -0.251 58.131 58.200 0.303 0.000 0.855 452 S CB 1.733 65.122 63.200 0.314 0.000 1.116 452 S HN 1.816 nan 8.310 nan 0.000 0.472 453 S N -0.127 115.724 115.700 0.251 0.000 2.564 453 S HA 0.586 5.056 4.470 0.000 0.000 0.274 453 S C 0.720 175.388 174.600 0.113 0.000 1.124 453 S CA -0.014 58.293 58.200 0.178 0.000 0.869 453 S CB 1.602 64.909 63.200 0.177 0.000 1.105 453 S HN 1.374 nan 8.310 nan 0.000 0.472 454 S N 1.879 117.618 115.700 0.066 0.000 2.522 454 S HA 0.382 4.852 4.470 0.000 0.000 0.227 454 S C 0.736 175.359 174.600 0.038 0.000 0.986 454 S CA 0.277 58.504 58.200 0.045 0.000 0.929 454 S CB -0.267 62.946 63.200 0.021 0.000 0.769 454 S HN 0.982 nan 8.310 nan 0.000 0.529 455 A N 1.239 124.083 122.820 0.041 0.000 2.269 455 A HA 0.703 5.024 4.320 0.000 0.000 0.327 455 A C 1.042 178.643 177.584 0.029 0.000 1.112 455 A CA -0.259 51.793 52.037 0.025 0.000 0.865 455 A CB 1.112 20.120 19.000 0.014 0.000 1.227 455 A HN 0.830 nan 8.150 nan 0.000 0.498 456 V N -2.343 117.578 119.914 0.011 0.000 3.623 456 V HA 0.299 4.419 4.120 0.000 0.000 0.271 456 V C 0.103 176.179 176.094 -0.030 0.000 1.248 456 V CA 1.454 63.753 62.300 -0.001 0.000 1.156 456 V CB -0.929 30.891 31.823 -0.005 0.000 0.870 456 V HN 0.793 nan 8.190 nan 0.000 0.453 457 D N -1.790 118.597 120.400 -0.023 0.000 2.654 457 D HA 0.622 5.262 4.640 0.000 0.000 0.231 457 D C -0.769 175.523 176.300 -0.012 0.000 1.239 457 D CA 0.339 54.316 54.000 -0.038 0.000 0.790 457 D CB 2.314 43.082 40.800 -0.053 0.000 1.480 457 D HN 0.191 nan 8.370 nan 0.000 0.442 458 T N 0.638 115.176 114.554 -0.027 0.000 2.663 458 T HA 0.396 4.746 4.350 0.000 0.000 0.305 458 T C -1.983 172.637 174.700 -0.133 0.000 1.660 458 T CA -0.594 61.472 62.100 -0.056 0.000 0.976 458 T CB 0.930 69.736 68.868 -0.103 0.000 1.705 458 T HN 0.290 nan 8.240 nan 0.000 0.494 459 D N 0.265 120.501 120.400 -0.273 0.000 2.299 459 D HA 0.698 5.338 4.640 0.000 0.000 0.243 459 D C -1.093 174.871 176.300 -0.560 0.000 0.982 459 D CA -0.007 53.833 54.000 -0.267 0.000 0.924 459 D CB 1.085 41.761 40.800 -0.206 0.000 1.238 459 D HN 0.324 nan 8.370 nan 0.000 0.484 460 F N 0.040 119.977 119.950 -0.020 0.000 2.556 460 F HA 0.389 4.916 4.527 0.000 0.000 0.314 460 F C 0.571 176.364 175.800 -0.011 0.000 1.106 460 F CA -0.723 57.285 58.000 0.013 0.000 0.911 460 F CB 2.128 41.154 39.000 0.044 0.000 1.190 460 F HN 0.066 nan 8.300 nan 0.000 0.448 461 T N -0.001 114.656 114.554 0.172 0.000 2.912 461 T HA 0.936 5.287 4.350 0.000 0.000 0.288 461 T C -0.835 173.945 174.700 0.133 0.000 1.030 461 T CA -0.908 61.257 62.100 0.108 0.000 1.020 461 T CB 1.972 70.887 68.868 0.078 0.000 1.056 461 T HN 0.887 nan 8.240 nan 0.000 0.480 462 A N 1.770 124.654 122.820 0.107 0.000 2.422 462 A HA 0.784 5.104 4.320 0.000 0.000 0.302 462 A C -0.700 176.947 177.584 0.105 0.000 1.041 462 A CA -0.953 51.145 52.037 0.102 0.000 0.708 462 A CB 1.613 20.654 19.000 0.069 0.000 1.257 462 A HN 0.964 nan 8.150 nan 0.000 0.414 463 K N 2.130 122.598 120.400 0.115 0.000 2.427 463 K HA 0.620 4.940 4.320 0.000 0.000 0.252 463 K C -1.787 174.886 176.600 0.123 0.000 0.931 463 K CA -0.705 55.655 56.287 0.122 0.000 0.793 463 K CB 1.706 34.285 32.500 0.133 0.000 1.211 463 K HN 0.616 nan 8.250 nan 0.000 0.426 464 L N 4.504 125.800 121.223 0.121 0.000 2.312 464 L HA 0.520 4.860 4.340 0.000 0.000 0.281 464 L C -1.410 175.572 176.870 0.186 0.000 1.070 464 L CA -0.218 54.702 54.840 0.134 0.000 0.805 464 L CB 1.647 43.774 42.059 0.114 0.000 1.174 464 L HN 0.412 nan 8.230 nan 0.000 0.434 465 V N 3.668 123.719 119.914 0.229 0.000 2.808 465 V HA 0.369 4.489 4.120 0.000 0.000 0.308 465 V C -1.218 175.110 176.094 0.390 0.000 1.099 465 V CA -0.833 61.625 62.300 0.264 0.000 0.920 465 V CB 1.992 33.948 31.823 0.221 0.000 1.014 465 V HN 0.716 nan 8.190 nan 0.000 0.425 466 D N 3.203 123.841 120.400 0.397 0.000 2.373 466 D HA 0.360 5.000 4.640 0.000 0.000 0.227 466 D C -0.518 176.061 176.300 0.465 0.000 1.091 466 D CA -0.104 54.178 54.000 0.471 0.000 0.840 466 D CB 1.732 42.650 40.800 0.197 0.000 1.060 466 D HN 0.254 nan 8.370 nan 0.000 0.502 467 V N 5.334 125.476 119.914 0.379 0.000 2.408 467 V HA 0.211 4.331 4.120 0.000 0.000 0.267 467 V C 0.486 176.693 176.094 0.188 0.000 1.047 467 V CA -0.508 61.968 62.300 0.292 0.000 0.937 467 V CB -0.182 31.752 31.823 0.183 0.000 0.999 467 V HN 0.343 nan 8.190 nan 0.000 0.472 468 F N 6.644 126.552 119.950 -0.070 0.000 2.380 468 F HA 0.356 4.883 4.527 0.000 0.000 0.325 468 F C -0.940 174.700 175.800 -0.267 0.000 1.136 468 F CA -1.862 55.932 58.000 -0.342 0.000 1.171 468 F CB 0.603 39.499 39.000 -0.173 0.000 1.230 468 F HN 0.342 nan 8.300 nan 0.000 0.554 469 P HA -0.206 nan 4.420 nan 0.000 0.216 469 P C 0.789 178.095 177.300 0.010 0.000 1.150 469 P CA 1.823 64.878 63.100 -0.074 0.000 0.843 469 P CB -0.028 31.628 31.700 -0.073 0.000 0.787 470 D N -2.382 118.047 120.400 0.049 0.000 2.348 470 D HA 0.032 4.672 4.640 0.000 0.000 0.216 470 D C 1.494 177.816 176.300 0.037 0.000 0.970 470 D CA 1.207 55.229 54.000 0.037 0.000 0.889 470 D CB -0.827 39.988 40.800 0.027 0.000 0.912 470 D HN 0.283 nan 8.370 nan 0.000 0.524 471 G N -0.372 108.465 108.800 0.061 0.000 2.253 471 G HA2 -0.267 3.693 3.960 0.000 0.000 0.209 471 G HA3 -0.267 3.693 3.960 0.000 0.000 0.209 471 G C 0.275 175.225 174.900 0.082 0.000 0.997 471 G CA -0.280 44.862 45.100 0.070 0.000 0.640 471 G HN 0.371 nan 8.290 nan 0.000 0.496 472 R N 0.971 121.495 120.500 0.040 0.000 2.537 472 R HA 0.402 4.742 4.340 0.000 0.000 0.281 472 R C 0.460 176.819 176.300 0.098 0.000 0.988 472 R CA 0.898 56.988 56.100 -0.018 0.000 1.077 472 R CB 0.468 30.635 30.300 -0.221 0.000 0.932 472 R HN 0.641 nan 8.270 nan 0.000 0.409 473 A N 5.692 128.564 122.820 0.087 0.000 2.508 473 A HA 0.293 4.613 4.320 0.000 0.000 0.336 473 A C -0.380 177.284 177.584 0.132 0.000 1.360 473 A CA -0.689 51.453 52.037 0.175 0.000 0.841 473 A CB 0.404 19.540 19.000 0.227 0.000 1.136 473 A HN 0.461 nan 8.150 nan 0.000 0.489 474 I N 2.484 123.165 120.570 0.185 0.000 2.352 474 I HA 0.282 4.452 4.170 0.000 0.000 0.290 474 I C 1.074 177.304 176.117 0.188 0.000 1.036 474 I CA -0.202 61.176 61.300 0.129 0.000 1.336 474 I CB 0.648 38.726 38.000 0.130 0.000 1.407 474 I HN 0.663 nan 8.210 nan 0.000 0.497 475 A N 7.515 130.427 122.820 0.153 0.000 2.520 475 A HA 0.339 4.659 4.320 0.000 0.000 0.245 475 A C 0.730 178.512 177.584 0.330 0.000 1.072 475 A CA 0.192 52.355 52.037 0.210 0.000 0.761 475 A CB 0.342 19.449 19.000 0.178 0.000 1.004 475 A HN 0.794 nan 8.150 nan 0.000 0.499 476 L N 2.028 123.413 121.223 0.269 0.000 2.611 476 L HA 0.245 4.585 4.340 0.000 0.000 0.187 476 L C 1.033 177.987 176.870 0.139 0.000 1.334 476 L CA -0.049 54.911 54.840 0.199 0.000 2.722 476 L CB -0.706 41.391 42.059 0.062 0.000 2.570 476 L HN 0.922 nan 8.230 nan 0.000 1.073 477 C N -0.713 118.627 119.300 0.066 0.000 2.345 477 C HA 0.753 5.213 4.460 0.000 0.000 0.370 477 C C -0.747 174.308 174.990 0.109 0.000 1.209 477 C CA -0.684 58.374 59.018 0.066 0.000 2.133 477 C CB 1.239 28.997 27.740 0.030 0.000 2.293 477 C HN 0.735 nan 8.230 nan 0.000 0.544 478 D N -0.253 120.218 120.400 0.118 0.000 2.622 478 D HA 0.617 5.257 4.640 0.000 0.000 0.255 478 D C -0.663 175.721 176.300 0.141 0.000 1.246 478 D CA -0.045 54.035 54.000 0.132 0.000 0.795 478 D CB 1.514 42.409 40.800 0.158 0.000 1.369 478 D HN 1.115 nan 8.370 nan 0.000 0.425 479 G N -0.611 108.264 108.800 0.125 0.000 2.721 479 G HA2 0.611 4.571 3.960 0.000 0.000 0.296 479 G HA3 0.611 4.571 3.960 0.000 0.000 0.296 479 G C -1.781 173.127 174.900 0.014 0.000 1.383 479 G CA -0.789 44.363 45.100 0.087 0.000 0.788 479 G HN 0.654 nan 8.290 nan 0.000 0.500 480 I N -0.720 119.770 120.570 -0.133 0.000 2.802 480 I HA 0.703 4.873 4.170 0.000 0.000 0.298 480 I C -1.467 174.572 176.117 -0.130 0.000 1.176 480 I CA -1.180 60.005 61.300 -0.193 0.000 1.025 480 I CB 2.368 40.046 38.000 -0.537 0.000 1.243 480 I HN 0.499 nan 8.210 nan 0.000 0.424 481 V N 7.116 127.009 119.914 -0.034 0.000 2.487 481 V HA 0.558 4.678 4.120 0.000 0.000 0.298 481 V C -0.608 175.512 176.094 0.043 0.000 1.028 481 V CA -0.538 61.770 62.300 0.014 0.000 0.860 481 V CB 1.777 33.631 31.823 0.051 0.000 0.991 481 V HN 0.813 nan 8.190 nan 0.000 0.427 482 R N 6.352 126.897 120.500 0.075 0.000 2.234 482 R HA 0.339 4.679 4.340 0.000 0.000 0.324 482 R C 1.111 177.467 176.300 0.094 0.000 1.054 482 R CA -0.545 55.623 56.100 0.114 0.000 0.912 482 R CB 1.016 31.468 30.300 0.253 0.000 1.030 482 R HN 0.775 nan 8.270 nan 0.000 0.455 483 M N 4.022 123.636 119.600 0.023 0.000 2.149 483 M HA -0.185 4.295 4.480 0.000 0.000 0.261 483 M C 1.858 178.083 176.300 -0.125 0.000 1.064 483 M CA 1.740 57.021 55.300 -0.032 0.000 1.102 483 M CB -0.768 31.811 32.600 -0.036 0.000 1.369 483 M HN 0.652 nan 8.290 nan 0.000 0.408 484 R N -0.463 119.915 120.500 -0.202 0.000 2.200 484 R HA -0.176 4.164 4.340 0.000 0.000 0.234 484 R C 0.666 176.736 176.300 -0.383 0.000 1.127 484 R CA 1.495 57.386 56.100 -0.348 0.000 0.989 484 R CB -0.730 29.271 30.300 -0.498 0.000 0.869 484 R HN 0.320 nan 8.270 nan 0.000 0.459 485 Y N 1.789 122.071 120.300 -0.029 0.000 2.571 485 Y HA 0.273 4.823 4.550 0.000 0.000 0.275 485 Y C 1.835 177.714 175.900 -0.035 0.000 1.179 485 Y CA -0.750 57.334 58.100 -0.027 0.000 1.242 485 Y CB 0.046 38.502 38.460 -0.008 0.000 1.126 485 Y HN 0.109 nan 8.280 nan 0.000 0.524 486 R N 0.048 120.575 120.500 0.045 0.000 2.127 486 R HA -0.147 4.194 4.340 0.000 0.000 0.238 486 R C 0.794 177.103 176.300 0.015 0.000 1.134 486 R CA 1.811 57.919 56.100 0.014 0.000 0.975 486 R CB -0.084 30.190 30.300 -0.044 0.000 0.865 486 R HN 0.199 nan 8.270 nan 0.000 0.447 487 E N 0.260 120.471 120.200 0.018 0.000 2.413 487 E HA 0.075 4.425 4.350 0.000 0.000 0.203 487 E C 0.049 176.662 176.600 0.022 0.000 0.957 487 E CA 0.615 57.024 56.400 0.015 0.000 0.950 487 E CB 1.183 30.891 29.700 0.014 0.000 0.957 487 E HN 0.300 nan 8.360 nan 0.000 0.497 488 T N -0.741 113.842 114.554 0.048 0.000 3.012 488 T HA 0.345 4.695 4.350 0.000 0.000 0.330 488 T C 0.268 175.040 174.700 0.120 0.000 1.321 488 T CA -0.529 61.599 62.100 0.046 0.000 1.067 488 T CB 0.669 69.553 68.868 0.026 0.000 1.235 488 T HN -0.094 nan 8.240 nan 0.000 0.479 489 L N 3.719 124.951 121.223 0.014 0.000 2.492 489 L HA 0.128 4.469 4.340 0.000 0.000 0.223 489 L C 2.063 178.880 176.870 -0.088 0.000 1.132 489 L CA 0.394 55.171 54.840 -0.105 0.000 0.850 489 L CB -0.077 41.769 42.059 -0.355 0.000 0.966 489 L HN 0.540 nan 8.230 nan 0.000 0.454 490 V N -1.619 118.276 119.914 -0.032 0.000 2.492 490 V HA 0.036 4.156 4.120 0.000 0.000 0.241 490 V C 0.642 176.764 176.094 0.047 0.000 1.041 490 V CA 0.842 63.123 62.300 -0.030 0.000 1.057 490 V CB -0.157 31.640 31.823 -0.045 0.000 0.711 490 V HN 0.409 nan 8.190 nan 0.000 0.468 491 N N 1.375 120.109 118.700 0.056 0.000 2.918 491 N HA 0.303 5.043 4.740 0.000 0.000 0.270 491 N C -2.816 172.707 175.510 0.023 0.000 1.536 491 N CA -0.840 52.233 53.050 0.039 0.000 0.877 491 N CB 1.248 39.746 38.487 0.018 0.000 1.190 491 N HN 0.357 nan 8.380 nan 0.000 0.492 492 P HA 0.083 nan 4.420 nan 0.000 0.269 492 P C -0.036 177.193 177.300 -0.118 0.000 1.209 492 P CA 0.163 63.181 63.100 -0.137 0.000 0.776 492 P CB 0.879 32.331 31.700 -0.414 0.000 0.876 493 T N -0.637 113.839 114.554 -0.130 0.000 2.903 493 T HA 0.610 4.960 4.350 0.000 0.000 0.299 493 T C 0.064 174.690 174.700 -0.122 0.000 1.093 493 T CA -0.950 61.094 62.100 -0.094 0.000 1.002 493 T CB 0.771 69.610 68.868 -0.047 0.000 1.127 493 T HN 0.149 nan 8.240 nan 0.000 0.488 494 L N 1.969 123.138 121.223 -0.090 0.000 2.468 494 L HA 0.611 4.951 4.340 0.000 0.000 0.254 494 L C 0.615 177.434 176.870 -0.085 0.000 1.171 494 L CA -1.283 53.500 54.840 -0.094 0.000 0.809 494 L CB 0.529 42.553 42.059 -0.060 0.000 1.155 494 L HN 0.717 nan 8.230 nan 0.000 0.473 495 I N -2.245 118.261 120.570 -0.106 0.000 2.793 495 I HA 0.431 4.601 4.170 0.000 0.000 0.313 495 I C -0.456 175.705 176.117 0.073 0.000 0.998 495 I CA -0.851 60.393 61.300 -0.094 0.000 1.140 495 I CB 1.400 39.169 38.000 -0.385 0.000 1.327 495 I HN 0.420 nan 8.210 nan 0.000 0.491 496 E N 2.909 123.247 120.200 0.230 0.000 2.227 496 E HA 0.390 4.740 4.350 0.000 0.000 0.282 496 E C -0.269 176.438 176.600 0.179 0.000 1.015 496 E CA -0.585 55.917 56.400 0.170 0.000 0.823 496 E CB 1.748 31.538 29.700 0.150 0.000 1.081 496 E HN 0.774 nan 8.360 nan 0.000 0.396 497 A N 1.765 124.651 122.820 0.109 0.000 2.546 497 A HA 0.374 4.694 4.320 0.000 0.000 0.243 497 A C 1.378 179.020 177.584 0.097 0.000 1.063 497 A CA 0.913 53.009 52.037 0.099 0.000 0.757 497 A CB -0.347 18.691 19.000 0.062 0.000 0.991 497 A HN 0.832 nan 8.150 nan 0.000 0.503 498 G N 1.277 110.143 108.800 0.111 0.000 2.253 498 G HA2 -0.200 3.760 3.960 0.000 0.000 0.251 498 G HA3 -0.200 3.760 3.960 0.000 0.000 0.251 498 G C 0.160 175.097 174.900 0.062 0.000 0.998 498 G CA 0.403 45.554 45.100 0.086 0.000 0.621 498 G HN 0.812 nan 8.290 nan 0.000 0.524 499 E N 0.506 120.745 120.200 0.064 0.000 2.354 499 E HA 0.507 4.857 4.350 0.000 0.000 0.269 499 E C 0.714 177.230 176.600 -0.140 0.000 1.036 499 E CA -0.413 55.939 56.400 -0.079 0.000 0.876 499 E CB 1.028 30.630 29.700 -0.163 0.000 1.009 499 E HN 0.473 nan 8.360 nan 0.000 0.416 500 I N 3.126 123.531 120.570 -0.275 0.000 2.395 500 I HA 0.120 4.290 4.170 0.000 0.000 0.289 500 I C -0.378 175.539 176.117 -0.333 0.000 1.023 500 I CA -0.296 60.857 61.300 -0.245 0.000 1.350 500 I CB 0.280 38.065 38.000 -0.358 0.000 1.409 500 I HN 0.298 nan 8.210 nan 0.000 0.507 501 Y N 4.082 124.373 120.300 -0.015 0.000 2.393 501 Y HA 0.329 4.879 4.550 0.000 0.000 0.341 501 Y C 0.172 175.989 175.900 -0.138 0.000 0.988 501 Y CA -0.819 57.258 58.100 -0.038 0.000 1.078 501 Y CB 1.504 39.941 38.460 -0.037 0.000 1.203 501 Y HN 0.473 nan 8.280 nan 0.000 0.453 502 E N 3.484 123.624 120.200 -0.100 0.000 2.130 502 E HA 0.477 4.828 4.350 0.000 0.000 0.284 502 E C -1.330 175.119 176.600 -0.252 0.000 1.018 502 E CA -0.575 55.537 56.400 -0.481 0.000 0.817 502 E CB 0.802 30.082 29.700 -0.701 0.000 1.078 502 E HN 0.543 nan 8.360 nan 0.000 0.396 503 V N 0.980 120.733 119.914 -0.267 0.000 2.769 503 V HA 0.872 4.992 4.120 0.000 0.000 0.312 503 V C -0.339 175.656 176.094 -0.164 0.000 1.061 503 V CA -0.986 61.223 62.300 -0.151 0.000 0.931 503 V CB 1.504 33.273 31.823 -0.089 0.000 1.010 503 V HN 0.684 nan 8.190 nan 0.000 0.433 504 A N 4.559 127.316 122.820 -0.106 0.000 2.301 504 A HA 0.883 5.203 4.320 0.000 0.000 0.312 504 A C -0.433 177.115 177.584 -0.059 0.000 1.182 504 A CA -0.663 51.317 52.037 -0.095 0.000 0.826 504 A CB 0.442 19.399 19.000 -0.072 0.000 1.134 504 A HN 0.915 nan 8.150 nan 0.000 0.501 505 I N 2.110 122.646 120.570 -0.056 0.000 2.418 505 I HA 0.197 4.368 4.170 0.000 0.000 0.287 505 I C -0.773 175.333 176.117 -0.018 0.000 1.008 505 I CA -0.619 60.665 61.300 -0.026 0.000 1.104 505 I CB 1.872 39.868 38.000 -0.007 0.000 1.264 505 I HN 0.604 nan 8.210 nan 0.000 0.438 506 D N 7.521 127.914 120.400 -0.012 0.000 2.336 506 D HA 0.232 4.872 4.640 0.000 0.000 0.249 506 D C 0.151 176.467 176.300 0.026 0.000 1.213 506 D CA 0.004 54.007 54.000 0.004 0.000 0.870 506 D CB 1.099 41.896 40.800 -0.005 0.000 1.076 506 D HN 0.456 nan 8.370 nan 0.000 0.483 507 M N 4.499 124.125 119.600 0.044 0.000 2.549 507 M HA 0.163 4.644 4.480 0.000 0.000 0.273 507 M C 0.854 177.203 176.300 0.083 0.000 1.213 507 M CA -0.314 55.025 55.300 0.064 0.000 0.976 507 M CB 0.009 32.644 32.600 0.058 0.000 1.457 507 M HN 0.419 nan 8.290 nan 0.000 0.485 508 L N -0.890 120.386 121.223 0.089 0.000 6.267 508 L HA -0.353 3.987 4.340 0.000 0.000 0.053 508 L C 0.180 177.150 176.870 0.168 0.000 2.435 508 L CA 1.168 56.079 54.840 0.119 0.000 1.548 508 L CB -1.538 40.586 42.059 0.108 0.000 2.870 508 L HN 0.430 nan 8.230 nan 0.000 1.048 509 A N -1.367 121.566 122.820 0.188 0.000 2.612 509 A HA 0.786 5.106 4.320 0.000 0.000 0.293 509 A C -0.743 176.904 177.584 0.104 0.000 1.075 509 A CA 0.516 52.708 52.037 0.257 0.000 0.680 509 A CB 2.151 21.464 19.000 0.522 0.000 1.279 509 A HN 0.583 nan 8.150 nan 0.000 0.411 510 T N -0.592 113.880 114.554 -0.137 0.000 2.792 510 T HA 0.705 5.055 4.350 0.000 0.000 0.303 510 T C -1.475 172.574 174.700 -1.085 0.000 1.310 510 T CA 0.244 61.908 62.100 -0.726 0.000 1.007 510 T CB 1.641 70.240 68.868 -0.449 0.000 1.335 510 T HN 1.699 nan 8.240 nan 0.000 0.504 511 S N 2.077 116.859 115.700 -1.530 0.000 2.789 511 S HA 0.648 5.118 4.470 0.000 0.000 0.286 511 S C -1.485 172.716 174.600 -0.665 0.000 1.153 511 S CA -0.636 57.036 58.200 -0.880 0.000 1.084 511 S CB 0.077 62.865 63.200 -0.685 0.000 1.036 511 S HN 0.702 nan 8.310 nan 0.000 0.484 512 N N 2.889 121.313 118.700 -0.461 0.000 2.369 512 N HA 0.454 5.194 4.740 0.000 0.000 0.287 512 N C -1.607 173.668 175.510 -0.392 0.000 1.067 512 N CA -0.434 52.334 53.050 -0.471 0.000 0.888 512 N CB 1.896 40.001 38.487 -0.636 0.000 1.616 512 N HN 0.298 nan 8.380 nan 0.000 0.482 513 V N 3.964 123.664 119.914 -0.358 0.000 2.385 513 V HA 0.397 4.517 4.120 0.000 0.000 0.269 513 V C -0.415 175.452 176.094 -0.378 0.000 1.043 513 V CA -0.387 61.760 62.300 -0.255 0.000 0.906 513 V CB -0.195 31.510 31.823 -0.198 0.000 0.995 513 V HN 0.519 nan 8.190 nan 0.000 0.467 514 F N 5.713 125.514 119.950 -0.248 0.000 2.438 514 F HA 0.398 4.925 4.527 0.000 0.000 0.360 514 F C 0.505 176.100 175.800 -0.342 0.000 1.118 514 F CA -0.118 57.691 58.000 -0.318 0.000 1.164 514 F CB 0.233 39.127 39.000 -0.177 0.000 1.131 514 F HN 0.264 nan 8.300 nan 0.000 0.527 515 L N 5.179 126.104 121.223 -0.498 0.000 2.456 515 L HA 0.391 4.731 4.340 0.000 0.000 0.257 515 L C -2.057 174.790 176.870 -0.038 0.000 1.162 515 L CA -2.159 52.507 54.840 -0.291 0.000 0.808 515 L CB 0.453 42.286 42.059 -0.376 0.000 1.136 515 L HN 0.298 nan 8.230 nan 0.000 0.466 516 P HA 0.025 nan 4.420 nan 0.000 0.264 516 P C 0.592 177.972 177.300 0.133 0.000 1.183 516 P CA 0.919 64.059 63.100 0.066 0.000 0.763 516 P CB 0.601 32.324 31.700 0.037 0.000 0.807 517 G N 0.846 109.710 108.800 0.106 0.000 2.234 517 G HA2 -0.190 3.770 3.960 0.000 0.000 0.235 517 G HA3 -0.190 3.770 3.960 0.000 0.000 0.235 517 G C 0.239 175.155 174.900 0.026 0.000 0.997 517 G CA -0.291 44.848 45.100 0.065 0.000 0.623 517 G HN 0.653 nan 8.290 nan 0.000 0.514 518 H N 0.341 119.392 119.070 -0.032 0.000 2.499 518 H HA 0.651 5.207 4.556 0.000 0.000 0.352 518 H C 0.407 175.756 175.328 0.035 0.000 1.237 518 H CA -0.305 55.731 56.048 -0.020 0.000 1.343 518 H CB 0.940 30.665 29.762 -0.062 0.000 1.578 518 H HN 0.238 nan 8.280 nan 0.000 0.577 519 R N 0.732 121.345 120.500 0.189 0.000 2.740 519 R HA 0.418 4.758 4.340 0.000 0.000 0.282 519 R C -0.524 175.829 176.300 0.089 0.000 0.969 519 R CA -0.849 55.313 56.100 0.105 0.000 0.918 519 R CB 1.874 32.219 30.300 0.075 0.000 1.175 519 R HN 0.404 nan 8.270 nan 0.000 0.464 520 I N 3.147 123.622 120.570 -0.159 0.000 2.371 520 I HA 0.275 4.445 4.170 0.000 0.000 0.290 520 I C 0.244 176.295 176.117 -0.110 0.000 1.028 520 I CA 0.040 61.099 61.300 -0.403 0.000 1.345 520 I CB 0.971 38.468 38.000 -0.838 0.000 1.407 520 I HN 0.421 nan 8.210 nan 0.000 0.501 521 M N 7.431 127.036 119.600 0.009 0.000 2.591 521 M HA 0.684 5.164 4.480 0.000 0.000 0.306 521 M C -2.080 174.277 176.300 0.096 0.000 1.190 521 M CA -0.692 54.654 55.300 0.077 0.000 0.889 521 M CB 2.635 35.306 32.600 0.119 0.000 1.728 521 M HN 0.379 nan 8.290 nan 0.000 0.458 522 V N 3.665 123.663 119.914 0.141 0.000 2.638 522 V HA 0.467 4.588 4.120 0.000 0.000 0.306 522 V C -1.301 174.928 176.094 0.224 0.000 1.052 522 V CA -0.311 62.085 62.300 0.159 0.000 0.885 522 V CB 2.403 34.297 31.823 0.120 0.000 0.999 522 V HN 1.012 nan 8.190 nan 0.000 0.424 523 Q N 4.040 123.948 119.800 0.180 0.000 2.271 523 Q HA 0.695 5.036 4.340 0.000 0.000 0.258 523 Q C -1.234 174.870 176.000 0.173 0.000 0.936 523 Q CA -0.520 55.382 55.803 0.166 0.000 0.909 523 Q CB 2.376 31.193 28.738 0.130 0.000 1.253 523 Q HN 0.637 nan 8.270 nan 0.000 0.440 524 V N 1.559 121.590 119.914 0.194 0.000 2.604 524 V HA 0.665 4.785 4.120 0.000 0.000 0.305 524 V C -0.334 175.805 176.094 0.076 0.000 1.043 524 V CA -0.293 62.123 62.300 0.194 0.000 0.888 524 V CB 1.790 33.795 31.823 0.303 0.000 0.995 524 V HN 0.824 nan 8.190 nan 0.000 0.429 525 S N 2.404 118.148 115.700 0.074 0.000 3.003 525 S HA 0.552 5.022 4.470 0.000 0.000 0.313 525 S C 0.101 174.719 174.600 0.031 0.000 1.230 525 S CA 0.181 58.320 58.200 -0.101 0.000 0.977 525 S CB 1.985 65.097 63.200 -0.146 0.000 1.340 525 S HN 0.588 nan 8.310 nan 0.000 0.608 526 S N 0.572 116.180 115.700 -0.152 0.000 2.900 526 S HA 0.458 4.928 4.470 0.000 0.000 0.253 526 S C -0.890 173.319 174.600 -0.652 0.000 1.029 526 S CA 0.095 58.045 58.200 -0.417 0.000 1.096 526 S CB 0.461 63.366 63.200 -0.492 0.000 1.067 526 S HN 0.908 nan 8.310 nan 0.000 0.610 527 S N 1.379 116.869 115.700 -0.350 0.000 2.587 527 S HA 0.714 5.184 4.470 0.000 0.000 0.269 527 S C -1.514 173.102 174.600 0.027 0.000 1.154 527 S CA -0.808 57.278 58.200 -0.191 0.000 0.824 527 S CB 1.788 64.867 63.200 -0.202 0.000 1.118 527 S HN 0.047 nan 8.310 nan 0.000 0.462 528 N N 0.274 119.067 118.700 0.155 0.000 3.153 528 N HA 0.303 5.043 4.740 0.000 0.000 0.208 528 N C -2.182 173.459 175.510 0.218 0.000 1.462 528 N CA -0.286 52.878 53.050 0.190 0.000 0.754 528 N CB 0.510 39.137 38.487 0.234 0.000 1.558 528 N HN 0.675 nan 8.380 nan 0.000 0.605 529 F N 3.954 123.930 119.950 0.043 0.000 2.495 529 F HA 0.706 5.233 4.527 0.000 0.000 0.327 529 F C -1.832 173.942 175.800 -0.043 0.000 1.103 529 F CA -2.120 55.887 58.000 0.012 0.000 0.949 529 F CB 2.230 41.251 39.000 0.034 0.000 1.142 529 F HN 0.160 nan 8.300 nan 0.000 0.457 530 P HA 0.075 nan 4.420 nan 0.000 0.263 530 P C 0.620 177.633 177.300 -0.478 0.000 1.448 530 P CA 0.155 62.560 63.100 -1.158 0.000 0.983 530 P CB 0.513 31.427 31.700 -1.310 0.000 1.481 531 K N 0.857 121.066 120.400 -0.319 0.000 2.044 531 K HA -0.145 4.176 4.320 0.000 0.000 0.210 531 K C -0.004 176.230 176.600 -0.610 0.000 1.049 531 K CA 1.596 57.627 56.287 -0.426 0.000 0.927 531 K CB -0.653 31.578 32.500 -0.448 0.000 0.713 531 K HN 0.095 nan 8.250 nan 0.000 0.443 532 Y N 0.969 121.262 120.300 -0.012 0.000 2.485 532 Y HA 0.216 4.766 4.550 0.000 0.000 0.345 532 Y C -0.269 175.707 175.900 0.128 0.000 0.998 532 Y CA -2.112 56.002 58.100 0.023 0.000 1.059 532 Y CB 1.072 39.552 38.460 0.034 0.000 1.234 532 Y HN 0.149 nan 8.280 nan 0.000 0.461 533 D N 1.404 121.977 120.400 0.288 0.000 2.362 533 D HA 0.059 4.699 4.640 0.000 0.000 0.238 533 D C -0.570 175.921 176.300 0.318 0.000 1.212 533 D CA -0.354 53.852 54.000 0.343 0.000 0.902 533 D CB 0.719 41.651 40.800 0.220 0.000 1.180 533 D HN 0.517 nan 8.370 nan 0.000 0.445 534 R N 0.967 121.616 120.500 0.250 0.000 2.308 534 R HA 0.210 4.551 4.340 0.000 0.000 0.305 534 R C 0.536 176.933 176.300 0.162 0.000 1.053 534 R CA -0.768 55.431 56.100 0.165 0.000 0.957 534 R CB 0.378 30.684 30.300 0.010 0.000 1.022 534 R HN 0.424 nan 8.270 nan 0.000 0.461 535 N N 1.008 119.823 118.700 0.193 0.000 2.497 535 N HA -0.058 4.682 4.740 0.000 0.000 0.268 535 N C 0.553 176.164 175.510 0.168 0.000 1.171 535 N CA 0.155 53.307 53.050 0.169 0.000 0.948 535 N CB 1.100 39.669 38.487 0.137 0.000 1.069 535 N HN 0.663 nan 8.380 nan 0.000 0.460 536 S N 2.315 118.062 115.700 0.079 0.000 2.522 536 S HA -0.025 4.445 4.470 0.000 0.000 0.227 536 S C 0.390 174.985 174.600 -0.009 0.000 0.986 536 S CA -0.033 58.176 58.200 0.015 0.000 0.929 536 S CB -0.136 63.070 63.200 0.010 0.000 0.769 536 S HN 0.730 nan 8.310 nan 0.000 0.529 537 N N 1.012 119.729 118.700 0.028 0.000 2.741 537 N HA -0.143 4.597 4.740 0.000 0.000 0.250 537 N C 0.684 176.188 175.510 -0.009 0.000 1.115 537 N CA 1.555 54.611 53.050 0.010 0.000 0.724 537 N CB -2.117 36.356 38.487 -0.023 0.000 1.090 537 N HN 0.870 nan 8.380 nan 0.000 0.558 538 T N -5.618 108.932 114.554 -0.008 0.000 2.969 538 T HA 0.414 4.765 4.350 0.000 0.000 0.250 538 T C 1.429 176.121 174.700 -0.013 0.000 1.021 538 T CA 1.216 63.309 62.100 -0.012 0.000 1.003 538 T CB 0.814 69.675 68.868 -0.012 0.000 1.040 538 T HN 0.701 nan 8.240 nan 0.000 0.492 539 G N 1.014 109.805 108.800 -0.016 0.000 2.179 539 G HA2 -0.068 3.892 3.960 0.000 0.000 0.260 539 G HA3 -0.068 3.892 3.960 0.000 0.000 0.260 539 G C 0.551 175.437 174.900 -0.022 0.000 0.977 539 G CA 0.053 45.135 45.100 -0.029 0.000 0.641 539 G HN 1.015 nan 8.290 nan 0.000 0.533 540 G N -1.083 107.712 108.800 -0.008 0.000 2.535 540 G HA2 0.541 4.501 3.960 0.000 0.000 0.282 540 G HA3 0.541 4.501 3.960 0.000 0.000 0.282 540 G C 0.315 175.223 174.900 0.013 0.000 1.350 540 G CA 0.105 45.205 45.100 -0.000 0.000 1.039 540 G HN 0.909 nan 8.290 nan 0.000 0.509 541 V N 1.537 121.462 119.914 0.019 0.000 2.352 541 V HA 0.049 4.169 4.120 0.000 0.000 0.253 541 V C 1.595 177.717 176.094 0.047 0.000 1.083 541 V CA -0.006 62.316 62.300 0.036 0.000 0.993 541 V CB -0.072 31.767 31.823 0.025 0.000 1.111 541 V HN 0.591 nan 8.190 nan 0.000 0.490 542 I N 3.670 124.281 120.570 0.070 0.000 2.151 542 I HA -0.289 3.882 4.170 0.000 0.000 0.243 542 I C 2.485 178.643 176.117 0.068 0.000 1.080 542 I CA 2.072 63.416 61.300 0.073 0.000 1.339 542 I CB -0.246 37.818 38.000 0.106 0.000 1.039 542 I HN 0.667 nan 8.210 nan 0.000 0.409 543 A N -0.053 122.816 122.820 0.082 0.000 2.172 543 A HA -0.076 4.244 4.320 0.000 0.000 0.216 543 A C 2.056 179.665 177.584 0.042 0.000 1.154 543 A CA 1.041 53.119 52.037 0.068 0.000 0.701 543 A CB -0.287 18.761 19.000 0.080 0.000 0.789 543 A HN 0.276 nan 8.150 nan 0.000 0.465 544 R N 0.181 120.701 120.500 0.034 0.000 2.362 544 R HA 0.185 4.526 4.340 0.000 0.000 0.227 544 R C -0.473 175.835 176.300 0.013 0.000 0.905 544 R CA 0.093 56.204 56.100 0.018 0.000 1.067 544 R CB 0.160 30.467 30.300 0.012 0.000 1.078 544 R HN 0.620 nan 8.270 nan 0.000 0.516 545 E N 1.324 121.533 120.200 0.015 0.000 2.249 545 E HA 0.138 4.488 4.350 0.000 0.000 0.280 545 E C -0.142 176.458 176.600 0.000 0.000 1.016 545 E CA -0.460 55.944 56.400 0.006 0.000 0.830 545 E CB 1.191 30.893 29.700 0.004 0.000 1.081 545 E HN -0.151 nan 8.360 nan 0.000 0.395 546 Q N 1.934 121.730 119.800 -0.006 0.000 2.373 546 Q HA 0.007 4.347 4.340 0.000 0.000 0.255 546 Q C 0.916 176.903 176.000 -0.021 0.000 0.980 546 Q CA -0.024 55.772 55.803 -0.011 0.000 0.882 546 Q CB 1.233 29.965 28.738 -0.011 0.000 1.249 546 Q HN 0.519 nan 8.270 nan 0.000 0.438 547 L N 3.003 124.210 121.223 -0.028 0.000 2.043 547 L HA -0.248 4.092 4.340 0.000 0.000 0.212 547 L C 1.908 178.750 176.870 -0.046 0.000 1.075 547 L CA 2.192 57.005 54.840 -0.045 0.000 0.752 547 L CB -0.368 41.660 42.059 -0.051 0.000 0.891 547 L HN 0.717 nan 8.230 nan 0.000 0.432 548 E N -0.236 119.943 120.200 -0.035 0.000 2.268 548 E HA -0.202 4.148 4.350 0.000 0.000 0.195 548 E C 1.944 178.525 176.600 -0.032 0.000 0.995 548 E CA 1.203 57.583 56.400 -0.033 0.000 0.836 548 E CB -0.098 29.587 29.700 -0.024 0.000 0.763 548 E HN 0.652 nan 8.360 nan 0.000 0.491 549 E N -0.530 119.653 120.200 -0.029 0.000 2.358 549 E HA -0.014 4.336 4.350 0.000 0.000 0.195 549 E C 0.287 176.868 176.600 -0.033 0.000 1.010 549 E CA 0.102 56.487 56.400 -0.026 0.000 0.856 549 E CB 0.036 29.725 29.700 -0.018 0.000 0.795 549 E HN 0.364 nan 8.360 nan 0.000 0.504 550 M N 0.249 119.822 119.600 -0.045 0.000 2.202 550 M HA 0.156 4.637 4.480 0.000 0.000 0.316 550 M C -0.103 176.153 176.300 -0.074 0.000 1.138 550 M CA -0.224 55.041 55.300 -0.059 0.000 1.151 550 M CB 0.902 33.456 32.600 -0.075 0.000 1.422 550 M HN -0.037 nan 8.290 nan 0.000 0.471 551 C N 0.233 119.480 119.300 -0.088 0.000 2.562 551 C HA 0.645 5.105 4.460 0.000 0.000 0.332 551 C C 0.672 175.571 174.990 -0.153 0.000 1.201 551 C CA -0.867 58.095 59.018 -0.093 0.000 1.803 551 C CB 1.609 29.312 27.740 -0.062 0.000 2.328 551 C HN 0.906 nan 8.230 nan 0.000 0.500 552 T N 0.056 114.524 114.554 -0.143 0.000 2.828 552 T HA 0.646 4.996 4.350 0.000 0.000 0.290 552 T C -0.319 174.310 174.700 -0.120 0.000 1.019 552 T CA -0.325 61.666 62.100 -0.181 0.000 1.031 552 T CB 1.008 69.802 68.868 -0.124 0.000 1.001 552 T HN 1.196 nan 8.240 nan 0.000 0.531 553 A N 1.317 124.076 122.820 -0.102 0.000 2.398 553 A HA 0.629 4.949 4.320 0.000 0.000 0.301 553 A C -0.553 177.023 177.584 -0.012 0.000 1.041 553 A CA -0.903 51.118 52.037 -0.026 0.000 0.711 553 A CB 1.655 20.668 19.000 0.022 0.000 1.240 553 A HN 0.832 nan 8.150 nan 0.000 0.420 554 V N 3.456 123.357 119.914 -0.022 0.000 2.389 554 V HA 0.197 4.317 4.120 0.000 0.000 0.264 554 V C 0.177 176.220 176.094 -0.084 0.000 1.049 554 V CA -0.131 62.139 62.300 -0.049 0.000 0.932 554 V CB 0.105 31.914 31.823 -0.023 0.000 1.011 554 V HN 0.897 nan 8.190 nan 0.000 0.475 555 N N 4.783 123.331 118.700 -0.252 0.000 2.370 555 N HA 0.712 5.452 4.740 0.000 0.000 0.303 555 N C -0.742 174.580 175.510 -0.312 0.000 1.103 555 N CA -0.987 51.918 53.050 -0.242 0.000 0.848 555 N CB 1.884 40.154 38.487 -0.361 0.000 1.235 555 N HN 0.541 nan 8.380 nan 0.000 0.496 556 R N 1.428 121.908 120.500 -0.033 0.000 2.621 556 R HA 0.493 4.834 4.340 0.000 0.000 0.284 556 R C -1.186 175.063 176.300 -0.086 0.000 0.998 556 R CA -0.865 55.169 56.100 -0.110 0.000 0.895 556 R CB 1.787 31.966 30.300 -0.201 0.000 1.195 556 R HN 0.374 nan 8.270 nan 0.000 0.450 557 I N 3.620 124.147 120.570 -0.071 0.000 2.339 557 I HA 0.275 4.445 4.170 0.000 0.000 0.290 557 I C 0.228 176.270 176.117 -0.126 0.000 0.994 557 I CA -0.558 60.731 61.300 -0.018 0.000 1.191 557 I CB 1.060 39.150 38.000 0.151 0.000 1.343 557 I HN 0.469 nan 8.210 nan 0.000 0.458 558 H N 7.090 126.170 119.070 0.017 0.000 2.473 558 H HA 0.593 5.149 4.556 0.000 0.000 0.327 558 H C -0.091 175.267 175.328 0.049 0.000 1.105 558 H CA -0.611 55.418 56.048 -0.032 0.000 1.280 558 H CB 1.725 31.335 29.762 -0.252 0.000 1.450 558 H HN 0.520 nan 8.280 nan 0.000 0.492 559 R N 1.213 121.799 120.500 0.144 0.000 2.584 559 R HA 0.677 5.018 4.340 0.000 0.000 0.276 559 R C -0.743 175.616 176.300 0.099 0.000 1.046 559 R CA -1.027 55.151 56.100 0.130 0.000 0.906 559 R CB 2.158 32.528 30.300 0.116 0.000 1.215 559 R HN 0.832 nan 8.270 nan 0.000 0.449 560 G N 1.765 110.599 108.800 0.058 0.000 2.345 560 G HA2 0.146 4.106 3.960 0.000 0.000 0.285 560 G HA3 0.146 4.106 3.960 0.000 0.000 0.285 560 G C -2.694 172.157 174.900 -0.081 0.000 1.297 560 G CA -0.844 44.258 45.100 0.004 0.000 0.875 560 G HN 0.299 nan 8.290 nan 0.000 0.506 561 P HA 0.021 nan 4.420 nan 0.000 0.215 561 P C 1.301 178.465 177.300 -0.228 0.000 1.153 561 P CA 1.427 64.430 63.100 -0.162 0.000 0.853 561 P CB 0.248 31.870 31.700 -0.129 0.000 0.788 562 E N -1.824 118.194 120.200 -0.302 0.000 2.447 562 E HA -0.016 4.334 4.350 0.000 0.000 0.195 562 E C 0.056 176.075 176.600 -0.967 0.000 1.028 562 E CA 0.632 56.712 56.400 -0.532 0.000 0.876 562 E CB -0.316 29.058 29.700 -0.544 0.000 0.885 562 E HN 0.532 nan 8.360 nan 0.000 0.500 563 H N 0.416 119.170 119.070 -0.528 0.000 2.348 563 H HA 0.178 4.734 4.556 0.000 0.000 0.232 563 H C -2.237 172.727 175.328 -0.605 0.000 1.419 563 H CA -1.675 53.708 56.048 -1.108 0.000 1.416 563 H CB 0.714 30.059 29.762 -0.695 0.000 1.510 563 H HN -0.072 nan 8.280 nan 0.000 0.507 564 P HA 0.037 nan 4.420 nan 0.000 0.230 564 P C -0.246 177.449 177.300 0.659 0.000 1.791 564 P CA -0.164 63.081 63.100 0.242 0.000 1.020 564 P CB 0.002 31.824 31.700 0.205 0.000 1.977 565 S N 3.077 119.109 115.700 0.553 0.000 2.563 565 S HA 0.087 4.557 4.470 0.000 0.000 0.294 565 S C 0.558 175.343 174.600 0.308 0.000 1.279 565 S CA 0.312 58.759 58.200 0.413 0.000 1.069 565 S CB -0.348 62.997 63.200 0.241 0.000 0.828 565 S HN 0.578 nan 8.310 nan 0.000 0.497 566 H N 0.346 119.451 119.070 0.058 0.000 3.014 566 H HA 0.523 5.079 4.556 0.000 0.000 0.337 566 H C -1.230 174.051 175.328 -0.079 0.000 1.320 566 H CA -1.011 54.982 56.048 -0.091 0.000 1.128 566 H CB 0.791 30.328 29.762 -0.375 0.000 1.862 566 H HN 0.541 nan 8.280 nan 0.000 0.536 567 I N 1.874 122.461 120.570 0.028 0.000 2.437 567 I HA 0.323 4.493 4.170 0.000 0.000 0.298 567 I C -0.743 175.456 176.117 0.136 0.000 0.984 567 I CA -0.994 60.317 61.300 0.018 0.000 1.214 567 I CB 1.132 39.127 38.000 -0.009 0.000 1.365 567 I HN 0.385 nan 8.210 nan 0.000 0.469 568 V N 8.264 128.253 119.914 0.124 0.000 2.333 568 V HA 0.320 4.440 4.120 0.000 0.000 0.274 568 V C 0.034 176.202 176.094 0.123 0.000 1.028 568 V CA -0.490 61.915 62.300 0.176 0.000 0.851 568 V CB 0.855 32.789 31.823 0.185 0.000 1.000 568 V HN 0.496 nan 8.190 nan 0.000 0.456 569 L N 7.773 129.059 121.223 0.106 0.000 2.295 569 L HA 0.470 4.810 4.340 0.000 0.000 0.285 569 L C -2.127 174.738 176.870 -0.009 0.000 1.035 569 L CA -1.808 53.028 54.840 -0.006 0.000 0.806 569 L CB 2.280 44.211 42.059 -0.213 0.000 1.214 569 L HN 0.399 nan 8.230 nan 0.000 0.426 570 P HA 0.102 nan 4.420 nan 0.000 0.260 570 P C -0.483 176.680 177.300 -0.227 0.000 1.651 570 P CA -0.219 62.704 63.100 -0.295 0.000 1.139 570 P CB -0.029 31.498 31.700 -0.287 0.000 1.756 571 I N 4.977 125.443 120.570 -0.173 0.000 2.471 571 I HA 0.205 4.375 4.170 0.000 0.000 0.286 571 I C 0.920 176.965 176.117 -0.120 0.000 1.079 571 I CA -0.392 60.852 61.300 -0.093 0.000 1.398 571 I CB 0.393 38.392 38.000 -0.003 0.000 1.403 571 I HN 0.201 nan 8.210 nan 0.000 0.530 572 I N 6.047 126.564 120.570 -0.089 0.000 2.406 572 I HA 0.329 4.499 4.170 0.000 0.000 0.290 572 I C 0.032 176.120 176.117 -0.049 0.000 0.999 572 I CA -0.966 60.286 61.300 -0.081 0.000 1.124 572 I CB 1.602 39.553 38.000 -0.082 0.000 1.289 572 I HN 0.469 nan 8.210 nan 0.000 0.441 573 K N 6.481 126.856 120.400 -0.041 0.000 2.358 573 K HA 0.655 4.976 4.320 0.000 0.000 0.260 573 K C -0.885 175.700 176.600 -0.024 0.000 0.956 573 K CA -0.406 55.865 56.287 -0.026 0.000 0.834 573 K CB 1.547 34.035 32.500 -0.019 0.000 1.102 573 K HN 0.564 nan 8.250 nan 0.000 0.431 574 R N 2.550 123.037 120.500 -0.021 0.000 2.888 574 R HA 0.618 4.959 4.340 0.000 0.000 0.264 574 R C -0.872 175.419 176.300 -0.014 0.000 1.045 574 R CA -1.008 55.082 56.100 -0.017 0.000 0.962 574 R CB 2.094 32.383 30.300 -0.018 0.000 1.210 574 R HN 0.545 nan 8.270 nan 0.000 0.479 575 K N 0.000 120.394 120.400 -0.010 0.000 2.780 575 K HA 0.000 4.320 4.320 0.000 0.000 0.191 575 K CA 0.000 56.282 56.287 -0.008 0.000 0.838 575 K CB 0.000 32.496 32.500 -0.006 0.000 1.064 575 K HN 0.000 nan 8.250 nan 0.000 0.543