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 3i2i_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 RGLITSRSDA 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 IKR 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 0.000 176.122 176.094 0.046 0.000 1.182 2 V CA 0.000 62.318 62.300 0.030 0.000 1.235 2 V CB 0.000 31.835 31.823 0.020 0.000 1.184 3 D N 3.547 123.974 120.400 0.045 0.000 2.339 3 D HA 0.560 5.200 4.640 0.001 0.000 0.256 3 D C 1.099 177.440 176.300 0.068 0.000 1.214 3 D CA 1.858 55.893 54.000 0.058 0.000 0.877 3 D CB 1.354 42.181 40.800 0.046 0.000 1.111 3 D HN 1.123 nan 8.370 nan 0.000 0.478 4 G N 2.543 111.402 108.800 0.100 0.000 2.284 4 G HA2 -0.231 3.729 3.960 0.001 0.000 0.201 4 G HA3 -0.231 3.729 3.960 0.001 0.000 0.201 4 G C 0.317 175.320 174.900 0.171 0.000 0.998 4 G CA -0.637 44.536 45.100 0.122 0.000 0.651 4 G HN 0.459 nan 8.290 nan 0.000 0.489 5 N N 0.407 119.188 118.700 0.135 0.000 2.492 5 N HA 0.747 5.487 4.740 0.001 0.000 0.289 5 N C -0.350 175.285 175.510 0.208 0.000 1.133 5 N CA 0.189 53.297 53.050 0.097 0.000 0.961 5 N CB 1.096 39.594 38.487 0.019 0.000 1.186 5 N HN 0.709 nan 8.380 nan 0.000 0.493 6 Y N -2.701 117.622 120.300 0.039 0.000 2.689 6 Y HA 0.708 5.258 4.550 0.000 0.000 0.333 6 Y C -0.834 175.080 175.900 0.024 0.000 1.208 6 Y CA -1.305 56.824 58.100 0.048 0.000 1.055 6 Y CB 0.624 39.143 38.460 0.098 0.000 1.304 6 Y HN 0.459 nan 8.280 nan 0.000 0.455 7 S N 0.290 116.098 115.700 0.179 0.000 2.634 7 S HA 0.896 5.366 4.470 0.001 0.000 0.296 7 S C -1.782 172.863 174.600 0.075 0.000 1.104 7 S CA -0.764 57.462 58.200 0.043 0.000 0.920 7 S CB 1.839 65.034 63.200 -0.008 0.000 1.111 7 S HN 0.911 nan 8.310 nan 0.000 0.493 8 V N 0.976 120.862 119.914 -0.047 0.000 2.525 8 V HA 0.792 4.912 4.120 0.001 0.000 0.299 8 V C -0.130 175.870 176.094 -0.156 0.000 1.034 8 V CA -0.565 61.617 62.300 -0.197 0.000 0.863 8 V CB 1.153 32.803 31.823 -0.289 0.000 0.999 8 V HN 1.251 nan 8.190 nan 0.000 0.423 9 A N 3.495 126.225 122.820 -0.151 0.000 2.303 9 A HA 0.833 5.153 4.320 0.001 0.000 0.320 9 A C 0.064 177.629 177.584 -0.031 0.000 1.192 9 A CA -0.386 51.612 52.037 -0.065 0.000 0.821 9 A CB 1.002 19.984 19.000 -0.031 0.000 1.188 9 A HN 0.720 nan 8.150 nan 0.000 0.492 10 S N 2.232 117.949 115.700 0.029 0.000 2.525 10 S HA 0.461 4.931 4.470 0.001 0.000 0.290 10 S C 0.161 174.832 174.600 0.117 0.000 1.152 10 S CA -0.668 57.613 58.200 0.134 0.000 1.072 10 S CB 0.649 63.991 63.200 0.237 0.000 1.027 10 S HN 0.746 nan 8.310 nan 0.000 0.500 11 N N 0.136 118.888 118.700 0.087 0.000 2.758 11 N HA -0.128 4.612 4.740 0.001 0.000 0.248 11 N C -0.720 174.796 175.510 0.011 0.000 1.076 11 N CA 0.287 53.347 53.050 0.017 0.000 0.696 11 N CB -1.604 36.910 38.487 0.046 0.000 0.979 11 N HN 0.393 nan 8.380 nan 0.000 0.550 12 V N 1.382 121.306 119.914 0.016 0.000 2.521 12 V HA 0.118 4.238 4.120 0.001 0.000 0.286 12 V C 0.963 177.004 176.094 -0.087 0.000 1.034 12 V CA 0.189 62.503 62.300 0.023 0.000 1.045 12 V CB 0.897 32.791 31.823 0.119 0.000 0.974 12 V HN 0.127 nan 8.190 nan 0.000 0.480 13 M N 5.827 125.373 119.600 -0.090 0.000 2.113 13 M HA 0.408 4.888 4.480 0.001 0.000 0.352 13 M C -0.647 175.489 176.300 -0.273 0.000 1.170 13 M CA -0.430 54.778 55.300 -0.153 0.000 1.053 13 M CB 1.071 33.623 32.600 -0.080 0.000 1.601 13 M HN 0.313 nan 8.290 nan 0.000 0.459 14 V N 6.532 126.199 119.914 -0.412 0.000 2.347 14 V HA 0.388 4.509 4.120 0.001 0.000 0.280 14 V C -2.198 173.693 176.094 -0.339 0.000 1.021 14 V CA -1.698 60.204 62.300 -0.664 0.000 0.847 14 V CB 1.653 32.900 31.823 -0.961 0.000 0.990 14 V HN 0.600 nan 8.190 nan 0.000 0.444 15 P HA 0.279 nan 4.420 nan 0.000 0.276 15 P C -0.263 176.996 177.300 -0.068 0.000 1.243 15 P CA -0.293 62.750 63.100 -0.095 0.000 0.768 15 P CB 0.502 32.186 31.700 -0.025 0.000 0.856 16 M N 3.151 122.720 119.600 -0.051 0.000 2.159 16 M HA 0.222 4.702 4.480 0.001 0.000 0.293 16 M C 2.083 178.381 176.300 -0.004 0.000 1.186 16 M CA -0.341 54.945 55.300 -0.024 0.000 1.073 16 M CB 0.091 32.676 32.600 -0.024 0.000 1.419 16 M HN 0.418 nan 8.290 nan 0.000 0.490 17 R N 0.761 121.265 120.500 0.006 0.000 2.159 17 R HA -0.174 4.167 4.340 0.001 0.000 0.237 17 R C 0.426 176.730 176.300 0.006 0.000 1.131 17 R CA 2.018 58.125 56.100 0.011 0.000 0.982 17 R CB -0.638 29.671 30.300 0.014 0.000 0.868 17 R HN 0.679 nan 8.270 nan 0.000 0.453 18 D N -0.686 119.714 120.400 0.001 0.000 2.328 18 D HA 0.103 4.743 4.640 0.001 0.000 0.221 18 D C 1.116 177.414 176.300 -0.004 0.000 1.072 18 D CA 0.517 54.516 54.000 -0.001 0.000 0.850 18 D CB 0.338 41.137 40.800 -0.003 0.000 0.922 18 D HN 0.465 nan 8.370 nan 0.000 0.516 19 G N -0.312 108.485 108.800 -0.005 0.000 2.179 19 G HA2 -0.281 3.679 3.960 0.001 0.000 0.260 19 G HA3 -0.281 3.679 3.960 0.001 0.000 0.260 19 G C 0.237 175.127 174.900 -0.017 0.000 0.977 19 G CA 0.250 45.345 45.100 -0.008 0.000 0.641 19 G HN 0.397 nan 8.290 nan 0.000 0.533 20 V N 1.549 121.451 119.914 -0.021 0.000 2.637 20 V HA 0.375 4.495 4.120 0.001 0.000 0.296 20 V C 1.066 177.133 176.094 -0.045 0.000 1.046 20 V CA 0.033 62.316 62.300 -0.028 0.000 1.066 20 V CB 1.084 32.893 31.823 -0.023 0.000 0.968 20 V HN 0.389 nan 8.190 nan 0.000 0.483 21 R N 4.449 124.916 120.500 -0.054 0.000 2.294 21 R HA 0.525 4.866 4.340 0.001 0.000 0.319 21 R C -1.294 174.949 176.300 -0.094 0.000 0.984 21 R CA -0.832 55.218 56.100 -0.084 0.000 0.861 21 R CB 1.139 31.391 30.300 -0.079 0.000 1.104 21 R HN 0.397 nan 8.270 nan 0.000 0.451 22 L N 2.417 123.564 121.223 -0.126 0.000 2.289 22 L HA 0.393 4.733 4.340 0.001 0.000 0.285 22 L C 0.230 177.004 176.870 -0.160 0.000 1.049 22 L CA -0.125 54.640 54.840 -0.125 0.000 0.804 22 L CB 1.603 43.594 42.059 -0.114 0.000 1.195 22 L HN 0.711 nan 8.230 nan 0.000 0.428 23 A N 3.776 126.515 122.820 -0.135 0.000 2.363 23 A HA 0.656 4.977 4.320 0.001 0.000 0.270 23 A C -0.299 177.201 177.584 -0.142 0.000 1.121 23 A CA -0.309 51.644 52.037 -0.141 0.000 0.800 23 A CB 0.559 19.475 19.000 -0.141 0.000 1.052 23 A HN 0.719 nan 8.150 nan 0.000 0.493 24 V N -0.315 119.526 119.914 -0.121 0.000 3.001 24 V HA 0.778 4.898 4.120 0.001 0.000 0.314 24 V C -1.241 174.855 176.094 0.003 0.000 1.099 24 V CA -1.067 61.197 62.300 -0.060 0.000 0.989 24 V CB 2.175 33.975 31.823 -0.038 0.000 1.040 24 V HN 0.694 nan 8.190 nan 0.000 0.434 25 D N 2.464 122.905 120.400 0.069 0.000 2.256 25 D HA 0.678 5.319 4.640 0.001 0.000 0.246 25 D C -0.674 175.691 176.300 0.109 0.000 1.042 25 D CA 0.018 54.073 54.000 0.091 0.000 0.841 25 D CB 2.026 42.937 40.800 0.185 0.000 1.223 25 D HN 0.674 nan 8.370 nan 0.000 0.470 26 L N 2.424 123.635 121.223 -0.021 0.000 2.298 26 L HA 0.364 4.705 4.340 0.001 0.000 0.284 26 L C -0.957 175.835 176.870 -0.129 0.000 1.013 26 L CA -0.942 53.871 54.840 -0.045 0.000 0.824 26 L CB 0.740 42.688 42.059 -0.185 0.000 1.221 26 L HN 0.243 nan 8.230 nan 0.000 0.418 27 Y N 2.919 123.236 120.300 0.027 0.000 2.434 27 Y HA 0.470 5.021 4.550 0.000 0.000 0.341 27 Y C 0.117 176.019 175.900 0.004 0.000 0.965 27 Y CA -0.599 57.558 58.100 0.095 0.000 1.205 27 Y CB 0.857 39.430 38.460 0.188 0.000 1.121 27 Y HN 0.413 nan 8.280 nan 0.000 0.507 28 R N 4.711 125.267 120.500 0.093 0.000 2.480 28 R HA 0.426 4.767 4.340 0.001 0.000 0.306 28 R C -2.818 173.558 176.300 0.127 0.000 0.958 28 R CA -2.146 53.954 56.100 -0.001 0.000 0.861 28 R CB 1.644 31.804 30.300 -0.234 0.000 1.171 28 R HN 0.323 nan 8.270 nan 0.000 0.445 29 P HA -0.017 nan 4.420 nan 0.000 0.269 29 P C -0.798 176.575 177.300 0.121 0.000 1.209 29 P CA -0.235 62.965 63.100 0.167 0.000 0.776 29 P CB 0.588 32.368 31.700 0.134 0.000 0.876 30 D N 0.919 121.391 120.400 0.120 0.000 2.368 30 D HA 0.345 4.985 4.640 0.001 0.000 0.268 30 D C 0.054 176.395 176.300 0.068 0.000 1.298 30 D CA 1.049 55.095 54.000 0.077 0.000 0.938 30 D CB -0.468 40.370 40.800 0.063 0.000 1.101 30 D HN 0.342 nan 8.370 nan 0.000 0.509 31 A N 2.764 125.621 122.820 0.063 0.000 2.488 31 A HA 0.386 4.706 4.320 0.001 0.000 0.298 31 A C 0.740 178.355 177.584 0.052 0.000 1.044 31 A CA -0.845 51.227 52.037 0.057 0.000 0.693 31 A CB 1.259 20.299 19.000 0.066 0.000 1.272 31 A HN 0.342 nan 8.150 nan 0.000 0.402 32 D N 1.804 122.228 120.400 0.039 0.000 2.103 32 D HA 0.018 4.659 4.640 0.001 0.000 0.190 32 D C 1.035 177.357 176.300 0.038 0.000 0.997 32 D CA 2.069 56.089 54.000 0.033 0.000 0.833 32 D CB -0.496 40.317 40.800 0.023 0.000 0.961 32 D HN 0.741 nan 8.370 nan 0.000 0.447 33 G N -0.237 108.585 108.800 0.037 0.000 3.175 33 G HA2 0.557 4.517 3.960 0.001 0.000 0.255 33 G HA3 0.557 4.517 3.960 0.001 0.000 0.255 33 G C -2.623 172.311 174.900 0.056 0.000 1.352 33 G CA -1.079 44.043 45.100 0.036 0.000 1.037 33 G HN 0.069 nan 8.290 nan 0.000 0.556 34 P HA 0.401 nan 4.420 nan 0.000 0.274 34 P C -0.360 176.974 177.300 0.055 0.000 1.237 34 P CA -0.148 62.989 63.100 0.062 0.000 0.793 34 P CB 1.571 33.273 31.700 0.003 0.000 0.977 35 V N -2.968 117.004 119.914 0.097 0.000 3.001 35 V HA 0.660 4.780 4.120 0.001 0.000 0.314 35 V C -2.752 173.376 176.094 0.056 0.000 1.099 35 V CA -3.122 59.211 62.300 0.054 0.000 0.989 35 V CB 1.626 33.497 31.823 0.081 0.000 1.040 35 V HN 0.380 nan 8.190 nan 0.000 0.434 36 P HA 0.305 nan 4.420 nan 0.000 0.272 36 P C -0.821 176.588 177.300 0.181 0.000 1.223 36 P CA 0.019 63.141 63.100 0.035 0.000 0.784 36 P CB 1.249 32.914 31.700 -0.058 0.000 0.923 37 V N 3.058 123.086 119.914 0.189 0.000 2.656 37 V HA 0.401 4.521 4.120 0.001 0.000 0.307 37 V C 0.197 176.359 176.094 0.113 0.000 1.051 37 V CA -0.725 61.715 62.300 0.233 0.000 0.893 37 V CB 1.865 33.862 31.823 0.289 0.000 0.999 37 V HN 0.344 nan 8.190 nan 0.000 0.426 38 L N 4.858 126.143 121.223 0.104 0.000 2.341 38 L HA 0.638 4.978 4.340 0.001 0.000 0.278 38 L C -0.863 176.041 176.870 0.056 0.000 1.005 38 L CA -0.626 54.214 54.840 0.000 0.000 0.818 38 L CB 1.776 43.826 42.059 -0.015 0.000 1.259 38 L HN 0.476 nan 8.230 nan 0.000 0.418 39 L N 4.506 125.717 121.223 -0.021 0.000 2.329 39 L HA 0.714 5.055 4.340 0.001 0.000 0.279 39 L C -0.880 175.841 176.870 -0.249 0.000 1.014 39 L CA -0.279 54.520 54.840 -0.068 0.000 0.814 39 L CB 1.931 43.984 42.059 -0.009 0.000 1.257 39 L HN 0.286 nan 8.230 nan 0.000 0.424 40 V N 5.432 125.144 119.914 -0.336 0.000 2.444 40 V HA 0.587 4.707 4.120 0.001 0.000 0.294 40 V C -0.308 175.569 176.094 -0.362 0.000 1.022 40 V CA -0.653 61.330 62.300 -0.529 0.000 0.850 40 V CB 1.611 32.933 31.823 -0.835 0.000 0.992 40 V HN 0.699 nan 8.190 nan 0.000 0.426 41 R N 3.662 123.974 120.500 -0.313 0.000 2.288 41 R HA 0.456 4.796 4.340 0.001 0.000 0.326 41 R C -0.554 175.625 176.300 -0.203 0.000 0.959 41 R CA -0.302 55.684 56.100 -0.191 0.000 0.834 41 R CB 1.566 31.814 30.300 -0.088 0.000 1.157 41 R HN 0.783 nan 8.270 nan 0.000 0.470 42 N N 3.841 122.400 118.700 -0.235 0.000 2.399 42 N HA 0.279 5.019 4.740 0.001 0.000 0.280 42 N C -2.074 173.229 175.510 -0.346 0.000 1.008 42 N CA -1.976 50.881 53.050 -0.320 0.000 0.894 42 N CB 1.980 40.250 38.487 -0.361 0.000 1.273 42 N HN 0.240 nan 8.380 nan 0.000 0.486 43 P HA 0.107 nan 4.420 nan 0.000 0.262 43 P C -0.654 176.300 177.300 -0.576 0.000 1.304 43 P CA 0.316 62.975 63.100 -0.735 0.000 0.859 43 P CB -0.036 30.939 31.700 -1.209 0.000 1.310 44 Y N -0.049 120.174 120.300 -0.128 0.000 2.734 44 Y HA 0.394 4.945 4.550 0.000 0.000 0.278 44 Y C 0.040 175.706 175.900 -0.389 0.000 1.108 44 Y CA -1.360 56.678 58.100 -0.103 0.000 1.211 44 Y CB -0.442 38.010 38.460 -0.014 0.000 1.182 44 Y HN -0.092 nan 8.280 nan 0.000 0.547 45 D N 1.428 121.463 120.400 -0.609 0.000 4.531 45 D HA -0.183 4.457 4.640 0.001 0.000 0.229 45 D C 0.898 177.003 176.300 -0.324 0.000 1.248 45 D CA 0.676 54.111 54.000 -0.943 0.000 1.039 45 D CB 0.297 40.216 40.800 -1.468 0.000 0.609 45 D HN 0.612 nan 8.370 nan 0.000 0.283 46 K N 2.267 122.518 120.400 -0.248 0.000 2.160 46 K HA -0.205 4.115 4.320 0.001 0.000 0.206 46 K C 1.851 178.540 176.600 0.149 0.000 1.047 46 K CA 1.239 57.499 56.287 -0.045 0.000 0.930 46 K CB -0.313 32.130 32.500 -0.096 0.000 0.720 46 K HN 0.290 nan 8.250 nan 0.000 0.450 47 F N 2.211 122.129 119.950 -0.053 0.000 2.216 47 F HA -0.074 4.453 4.527 0.000 0.000 0.300 47 F C 1.063 176.815 175.800 -0.079 0.000 1.085 47 F CA 0.635 58.609 58.000 -0.044 0.000 1.326 47 F CB -0.737 38.213 39.000 -0.083 0.000 1.027 47 F HN 0.119 nan 8.300 nan 0.000 0.497 48 D N 0.754 121.216 120.400 0.102 0.000 2.619 48 D HA 0.087 4.727 4.640 0.001 0.000 0.224 48 D C 1.451 177.798 176.300 0.078 0.000 1.133 48 D CA 0.071 54.081 54.000 0.017 0.000 1.017 48 D CB 0.182 40.990 40.800 0.012 0.000 1.077 48 D HN 0.093 nan 8.370 nan 0.000 0.503 49 V N 0.127 120.009 119.914 -0.054 0.000 2.667 49 V HA -0.099 4.021 4.120 0.001 0.000 0.252 49 V C 1.817 177.810 176.094 -0.168 0.000 1.065 49 V CA 0.861 63.147 62.300 -0.024 0.000 1.083 49 V CB -0.974 30.905 31.823 0.095 0.000 0.692 49 V HN 0.148 nan 8.190 nan 0.000 0.468 50 F N 1.937 121.826 119.950 -0.101 0.000 2.325 50 F HA 0.291 4.818 4.527 0.000 0.000 0.299 50 F C 2.647 178.366 175.800 -0.135 0.000 1.090 50 F CA 0.472 58.382 58.000 -0.151 0.000 1.392 50 F CB -1.400 37.546 39.000 -0.090 0.000 1.053 50 F HN 0.270 nan 8.300 nan 0.000 0.521 51 A N 0.345 123.237 122.820 0.119 0.000 1.969 51 A HA -0.143 4.177 4.320 0.001 0.000 0.218 51 A C 2.004 179.668 177.584 0.133 0.000 1.169 51 A CA 1.513 53.621 52.037 0.118 0.000 0.635 51 A CB -1.034 18.048 19.000 0.136 0.000 0.810 51 A HN 0.656 nan 8.150 nan 0.000 0.445 52 W N -2.191 119.152 121.300 0.071 0.000 2.842 52 W HA 0.247 4.907 4.660 0.000 0.000 0.267 52 W C 1.238 177.789 176.519 0.055 0.000 1.219 52 W CA 0.707 58.075 57.345 0.037 0.000 1.458 52 W CB -0.716 28.782 29.460 0.064 0.000 1.006 52 W HN 0.197 nan 8.180 nan 0.000 0.603 53 S N 1.838 117.132 115.700 -0.677 0.000 2.399 53 S HA -0.197 4.273 4.470 0.001 0.000 0.231 53 S C 1.929 176.394 174.600 -0.226 0.000 1.022 53 S CA 2.555 60.359 58.200 -0.659 0.000 0.983 53 S CB -0.687 62.144 63.200 -0.616 0.000 0.803 53 S HN 0.442 nan 8.310 nan 0.000 0.480 54 T N -0.199 114.248 114.554 -0.178 0.000 3.007 54 T HA -0.024 4.326 4.350 0.001 0.000 0.270 54 T C 1.081 175.670 174.700 -0.186 0.000 1.107 54 T CA 0.730 62.745 62.100 -0.142 0.000 1.118 54 T CB -0.264 68.527 68.868 -0.129 0.000 0.889 54 T HN 0.254 nan 8.240 nan 0.000 0.506 55 Q N 0.261 119.930 119.800 -0.218 0.000 2.201 55 Q HA 0.502 4.842 4.340 0.001 0.000 0.217 55 Q C 1.445 177.190 176.000 -0.424 0.000 0.860 55 Q CA -0.128 55.395 55.803 -0.465 0.000 0.984 55 Q CB 0.834 29.363 28.738 -0.348 0.000 1.095 55 Q HN 0.489 nan 8.270 nan 0.000 0.477 56 S N -0.898 114.736 115.700 -0.111 0.000 4.163 56 S HA 0.423 4.893 4.470 0.001 0.000 0.164 56 S C -0.244 174.471 174.600 0.192 0.000 0.896 56 S CA 0.574 58.857 58.200 0.138 0.000 1.125 56 S CB 0.318 63.787 63.200 0.448 0.000 1.698 56 S HN 0.311 nan 8.310 nan 0.000 0.817 57 T N 0.939 115.570 114.554 0.128 0.000 2.853 57 T HA 0.510 4.860 4.350 0.001 0.000 0.311 57 T C -1.591 173.022 174.700 -0.145 0.000 1.307 57 T CA -0.842 61.231 62.100 -0.045 0.000 1.019 57 T CB 1.065 69.822 68.868 -0.186 0.000 1.264 57 T HN 0.202 nan 8.240 nan 0.000 0.497 58 N N 2.477 120.997 118.700 -0.301 0.000 3.103 58 N HA 0.079 4.819 4.740 0.001 0.000 0.305 58 N C 1.197 176.293 175.510 -0.689 0.000 1.232 58 N CA -0.447 52.337 53.050 -0.443 0.000 1.190 58 N CB -0.130 38.152 38.487 -0.341 0.000 1.461 58 N HN 0.790 nan 8.380 nan 0.000 0.538 59 W N 0.047 120.920 121.300 -0.712 0.000 2.611 59 W HA -0.013 4.647 4.660 0.000 0.000 0.251 59 W C 0.560 176.682 176.519 -0.662 0.000 1.265 59 W CA -0.146 56.543 57.345 -1.094 0.000 1.295 59 W CB -0.720 28.443 29.460 -0.494 0.000 1.129 59 W HN 0.198 nan 8.180 nan 0.000 0.630 60 L N 1.122 121.824 121.223 -0.867 0.000 2.191 60 L HA -0.198 4.142 4.340 0.001 0.000 0.212 60 L C 2.777 179.443 176.870 -0.340 0.000 1.103 60 L CA 1.862 56.333 54.840 -0.614 0.000 0.769 60 L CB -0.826 40.880 42.059 -0.589 0.000 0.908 60 L HN 0.064 nan 8.230 nan 0.000 0.438 61 E N 0.474 120.454 120.200 -0.366 0.000 2.085 61 E HA -0.239 4.111 4.350 0.001 0.000 0.194 61 E C 2.144 178.750 176.600 0.010 0.000 0.994 61 E CA 1.399 57.686 56.400 -0.189 0.000 0.801 61 E CB 0.000 29.565 29.700 -0.226 0.000 0.743 61 E HN 0.358 nan 8.360 nan 0.000 0.453 62 F N 0.423 120.378 119.950 0.008 0.000 2.126 62 F HA -0.196 4.332 4.527 0.001 0.000 0.299 62 F C 2.368 178.281 175.800 0.188 0.000 1.096 62 F CA 0.785 58.833 58.000 0.080 0.000 1.255 62 F CB -1.206 37.750 39.000 -0.073 0.000 0.997 62 F HN -0.021 nan 8.300 nan 0.000 0.479 63 V N 0.146 120.192 119.914 0.220 0.000 2.323 63 V HA -0.218 3.903 4.120 0.001 0.000 0.244 63 V C 2.346 178.477 176.094 0.060 0.000 1.041 63 V CA 1.633 63.972 62.300 0.066 0.000 1.025 63 V CB -0.774 30.883 31.823 -0.277 0.000 0.656 63 V HN 0.209 nan 8.190 nan 0.000 0.451 64 R N 0.416 120.940 120.500 0.039 0.000 2.200 64 R HA -0.132 4.208 4.340 0.001 0.000 0.234 64 R C 1.242 177.627 176.300 0.141 0.000 1.127 64 R CA 1.410 57.590 56.100 0.133 0.000 0.989 64 R CB -0.242 30.124 30.300 0.109 0.000 0.869 64 R HN 0.518 nan 8.270 nan 0.000 0.459 65 D N -1.336 119.172 120.400 0.180 0.000 2.340 65 D HA 0.135 4.775 4.640 0.001 0.000 0.217 65 D C 0.853 177.246 176.300 0.155 0.000 1.081 65 D CA 0.568 54.680 54.000 0.187 0.000 0.842 65 D CB 1.084 42.035 40.800 0.252 0.000 0.934 65 D HN 0.380 nan 8.370 nan 0.000 0.511 66 G N 0.103 108.992 108.800 0.148 0.000 2.154 66 G HA2 -0.239 3.721 3.960 0.001 0.000 0.186 66 G HA3 -0.239 3.721 3.960 0.001 0.000 0.186 66 G C -0.241 174.648 174.900 -0.017 0.000 1.000 66 G CA -0.620 44.506 45.100 0.043 0.000 0.664 66 G HN 0.256 nan 8.290 nan 0.000 0.513 67 Y N 0.997 121.365 120.300 0.113 0.000 2.334 67 Y HA 0.672 5.223 4.550 0.001 0.000 0.328 67 Y C 0.811 176.788 175.900 0.129 0.000 1.130 67 Y CA -0.012 58.152 58.100 0.107 0.000 1.163 67 Y CB 1.666 40.179 38.460 0.089 0.000 1.207 67 Y HN 0.407 nan 8.280 nan 0.000 0.471 68 A N 2.316 125.314 122.820 0.296 0.000 2.316 68 A HA 0.684 5.004 4.320 0.001 0.000 0.284 68 A C -0.969 176.777 177.584 0.270 0.000 1.115 68 A CA -0.514 51.664 52.037 0.235 0.000 0.812 68 A CB 0.451 19.565 19.000 0.191 0.000 1.064 68 A HN 0.536 nan 8.150 nan 0.000 0.489 69 V N 2.440 122.510 119.914 0.260 0.000 2.540 69 V HA 0.446 4.566 4.120 0.001 0.000 0.302 69 V C -0.595 175.638 176.094 0.230 0.000 1.035 69 V CA -0.441 61.995 62.300 0.226 0.000 0.873 69 V CB 1.772 33.702 31.823 0.178 0.000 0.992 69 V HN 0.651 nan 8.190 nan 0.000 0.428 70 V N 6.370 126.380 119.914 0.160 0.000 2.409 70 V HA 0.538 4.658 4.120 0.001 0.000 0.291 70 V C -0.303 175.816 176.094 0.042 0.000 1.020 70 V CA -0.381 62.025 62.300 0.177 0.000 0.848 70 V CB 1.674 33.653 31.823 0.260 0.000 0.990 70 V HN 0.670 nan 8.190 nan 0.000 0.430 71 I N 4.621 125.235 120.570 0.075 0.000 2.378 71 I HA 0.515 4.685 4.170 0.001 0.000 0.291 71 I C -0.219 175.883 176.117 -0.025 0.000 0.992 71 I CA -0.384 60.897 61.300 -0.032 0.000 1.154 71 I CB 1.750 39.767 38.000 0.028 0.000 1.315 71 I HN 0.620 nan 8.210 nan 0.000 0.448 72 Q N 4.791 124.534 119.800 -0.095 0.000 2.337 72 Q HA 0.285 4.625 4.340 0.001 0.000 0.266 72 Q C -1.299 174.626 176.000 -0.126 0.000 1.023 72 Q CA -0.845 54.900 55.803 -0.098 0.000 0.829 72 Q CB 2.047 30.733 28.738 -0.086 0.000 1.306 72 Q HN 0.469 nan 8.270 nan 0.000 0.449 73 D N 2.896 123.221 120.400 -0.125 0.000 2.343 73 D HA 0.091 4.731 4.640 0.001 0.000 0.255 73 D C -0.100 176.152 176.300 -0.081 0.000 1.187 73 D CA 0.218 54.151 54.000 -0.111 0.000 0.875 73 D CB 1.230 41.974 40.800 -0.094 0.000 1.136 73 D HN 0.620 nan 8.370 nan 0.000 0.469 74 T N 0.210 114.719 114.554 -0.075 0.000 2.802 74 T HA 0.063 4.414 4.350 0.001 0.000 0.305 74 T C 0.743 175.450 174.700 0.013 0.000 1.053 74 T CA -0.822 61.273 62.100 -0.009 0.000 1.058 74 T CB 0.814 69.714 68.868 0.054 0.000 0.988 74 T HN 0.352 nan 8.240 nan 0.000 0.539 75 R N 0.489 121.021 120.500 0.053 0.000 2.494 75 R HA 0.239 4.579 4.340 0.001 0.000 0.291 75 R C 1.521 177.874 176.300 0.089 0.000 0.953 75 R CA 1.416 57.545 56.100 0.048 0.000 1.098 75 R CB -0.890 29.438 30.300 0.047 0.000 0.911 75 R HN 1.232 nan 8.270 nan 0.000 0.407 76 G N 3.304 112.117 108.800 0.022 0.000 2.176 76 G HA2 -0.252 3.708 3.960 0.001 0.000 0.253 76 G HA3 -0.252 3.708 3.960 0.001 0.000 0.253 76 G C -0.173 174.676 174.900 -0.085 0.000 0.979 76 G CA 0.138 45.246 45.100 0.013 0.000 0.641 76 G HN 0.493 nan 8.290 nan 0.000 0.530 77 L N -0.661 120.480 121.223 -0.137 0.000 2.362 77 L HA 0.748 5.088 4.340 0.001 0.000 0.271 77 L C 1.462 178.257 176.870 -0.125 0.000 1.002 77 L CA -1.203 53.468 54.840 -0.282 0.000 0.818 77 L CB 1.089 42.946 42.059 -0.337 0.000 1.298 77 L HN 0.107 nan 8.230 nan 0.000 0.420 78 F N 0.781 120.626 119.950 -0.175 0.000 2.640 78 F HA -0.448 4.079 4.527 0.001 0.000 0.227 78 F C 1.841 177.548 175.800 -0.155 0.000 1.481 78 F CA 1.651 59.555 58.000 -0.160 0.000 1.964 78 F CB -1.403 37.486 39.000 -0.186 0.000 0.564 78 F HN 0.542 nan 8.300 nan 0.000 0.224 79 A N -0.087 122.743 122.820 0.017 0.000 2.206 79 A HA 0.310 4.630 4.320 0.001 0.000 0.211 79 A C 0.938 178.479 177.584 -0.072 0.000 1.158 79 A CA 1.100 53.093 52.037 -0.072 0.000 0.761 79 A CB -0.499 18.394 19.000 -0.178 0.000 0.801 79 A HN 0.379 nan 8.150 nan 0.000 0.473 80 S N 0.748 116.409 115.700 -0.064 0.000 2.584 80 S HA 0.292 4.762 4.470 0.001 0.000 0.273 80 S C 0.187 174.753 174.600 -0.057 0.000 1.311 80 S CA -0.430 57.730 58.200 -0.066 0.000 1.034 80 S CB 0.750 63.914 63.200 -0.060 0.000 0.939 80 S HN 0.593 nan 8.310 nan 0.000 0.513 81 E N 0.545 120.714 120.200 -0.051 0.000 2.351 81 E HA 0.582 4.932 4.350 0.001 0.000 0.255 81 E C 0.760 177.342 176.600 -0.031 0.000 1.188 81 E CA -0.106 56.269 56.400 -0.041 0.000 0.940 81 E CB 0.466 30.143 29.700 -0.038 0.000 1.094 81 E HN 0.829 nan 8.360 nan 0.000 0.474 82 G N 0.316 109.101 108.800 -0.025 0.000 2.582 82 G HA2 -0.153 3.808 3.960 0.001 0.000 0.222 82 G HA3 -0.153 3.808 3.960 0.001 0.000 0.222 82 G C -1.214 173.682 174.900 -0.006 0.000 1.311 82 G CA -0.790 44.301 45.100 -0.014 0.000 0.915 82 G HN 0.409 nan 8.290 nan 0.000 0.528 83 E N -0.737 119.465 120.200 0.003 0.000 2.210 83 E HA 0.521 4.871 4.350 0.001 0.000 0.266 83 E C -1.078 175.545 176.600 0.039 0.000 0.883 83 E CA -0.763 55.645 56.400 0.013 0.000 0.761 83 E CB 2.202 31.897 29.700 -0.009 0.000 1.156 83 E HN 0.501 nan 8.360 nan 0.000 0.412 84 F N 2.956 122.846 119.950 -0.101 0.000 2.445 84 F HA 0.289 4.816 4.527 0.000 0.000 0.359 84 F C -0.783 174.938 175.800 -0.131 0.000 1.101 84 F CA -0.475 57.450 58.000 -0.126 0.000 1.177 84 F CB 0.566 39.462 39.000 -0.173 0.000 1.110 84 F HN 0.091 nan 8.300 nan 0.000 0.522 85 V N 7.810 127.165 119.914 -0.931 0.000 2.623 85 V HA 0.328 4.449 4.120 0.001 0.000 0.304 85 V C -2.281 173.080 176.094 -1.222 0.000 1.054 85 V CA -2.043 59.666 62.300 -0.985 0.000 0.882 85 V CB 1.837 33.420 31.823 -0.400 0.000 1.002 85 V HN 0.631 nan 8.190 nan 0.000 0.424 86 P HA 0.087 nan 4.420 nan 0.000 0.263 86 P C 0.358 177.337 177.300 -0.536 0.000 1.175 86 P CA 0.864 63.341 63.100 -1.038 0.000 0.761 86 P CB 0.104 30.848 31.700 -1.593 0.000 0.794 87 H N -0.273 118.824 119.070 0.044 0.000 4.880 87 H HA -0.195 4.361 4.556 0.001 0.000 0.084 87 H C 1.334 176.679 175.328 0.029 0.000 0.577 87 H CA 1.833 57.913 56.048 0.054 0.000 1.124 87 H CB -2.268 27.585 29.762 0.152 0.000 0.507 87 H HN 0.385 nan 8.280 nan 0.000 0.707 88 V N -0.922 119.042 119.914 0.083 0.000 2.809 88 V HA -0.017 4.104 4.120 0.001 0.000 0.256 88 V C 1.572 177.687 176.094 0.035 0.000 1.080 88 V CA 2.410 64.743 62.300 0.056 0.000 1.102 88 V CB 0.064 31.896 31.823 0.015 0.000 0.705 88 V HN 0.267 nan 8.190 nan 0.000 0.475 89 D N -0.201 120.214 120.400 0.025 0.000 2.407 89 D HA 0.047 4.688 4.640 0.001 0.000 0.208 89 D C 1.314 177.642 176.300 0.046 0.000 1.083 89 D CA 0.468 54.483 54.000 0.025 0.000 0.844 89 D CB 0.289 41.093 40.800 0.008 0.000 0.967 89 D HN 0.490 nan 8.370 nan 0.000 0.506 90 D N 1.321 121.763 120.400 0.071 0.000 2.183 90 D HA -0.087 4.553 4.640 0.001 0.000 0.203 90 D C 1.709 178.043 176.300 0.057 0.000 0.969 90 D CA 0.618 54.664 54.000 0.077 0.000 0.842 90 D CB 0.340 41.200 40.800 0.101 0.000 0.957 90 D HN 0.365 nan 8.370 nan 0.000 0.484 91 E N 1.062 121.297 120.200 0.058 0.000 2.023 91 E HA -0.155 4.195 4.350 0.001 0.000 0.196 91 E C 2.168 178.792 176.600 0.040 0.000 1.003 91 E CA 1.102 57.533 56.400 0.051 0.000 0.809 91 E CB -0.020 29.712 29.700 0.054 0.000 0.755 91 E HN 0.152 nan 8.360 nan 0.000 0.449 92 A N 1.531 124.372 122.820 0.035 0.000 1.898 92 A HA -0.203 4.117 4.320 0.001 0.000 0.216 92 A C 1.717 179.316 177.584 0.025 0.000 1.181 92 A CA 1.756 53.810 52.037 0.028 0.000 0.620 92 A CB -0.365 18.649 19.000 0.022 0.000 0.819 92 A HN 0.107 nan 8.150 nan 0.000 0.442 93 D N 0.081 120.496 120.400 0.025 0.000 2.144 93 D HA -0.004 4.636 4.640 0.001 0.000 0.200 93 D C 2.202 178.513 176.300 0.018 0.000 0.978 93 D CA 1.411 55.420 54.000 0.016 0.000 0.833 93 D CB -0.396 40.414 40.800 0.016 0.000 0.961 93 D HN 0.417 nan 8.370 nan 0.000 0.470 94 A N 0.889 123.724 122.820 0.025 0.000 1.873 94 A HA -0.208 4.112 4.320 0.001 0.000 0.215 94 A C 2.123 179.727 177.584 0.033 0.000 1.186 94 A CA 1.761 53.812 52.037 0.023 0.000 0.616 94 A CB -0.617 18.395 19.000 0.020 0.000 0.823 94 A HN 0.262 nan 8.150 nan 0.000 0.442 95 E N -0.089 120.131 120.200 0.034 0.000 2.049 95 E HA -0.274 4.076 4.350 0.001 0.000 0.198 95 E C 1.305 177.933 176.600 0.047 0.000 1.007 95 E CA 1.664 58.086 56.400 0.037 0.000 0.809 95 E CB -0.172 29.548 29.700 0.033 0.000 0.749 95 E HN 0.542 nan 8.360 nan 0.000 0.450 96 D N -0.428 119.999 120.400 0.044 0.000 2.144 96 D HA -0.114 4.526 4.640 0.001 0.000 0.199 96 D C 1.938 178.293 176.300 0.091 0.000 0.984 96 D CA 1.478 55.513 54.000 0.057 0.000 0.834 96 D CB -0.510 40.311 40.800 0.034 0.000 0.955 96 D HN 0.203 nan 8.370 nan 0.000 0.465 97 T N 0.973 115.570 114.554 0.071 0.000 2.777 97 T HA -0.025 4.325 4.350 0.001 0.000 0.266 97 T C 2.224 177.034 174.700 0.185 0.000 1.040 97 T CA 0.467 62.630 62.100 0.106 0.000 1.141 97 T CB -0.200 68.694 68.868 0.044 0.000 0.868 97 T HN 0.109 nan 8.240 nan 0.000 0.444 98 L N 0.863 122.154 121.223 0.114 0.000 2.046 98 L HA -0.101 4.239 4.340 0.001 0.000 0.208 98 L C 2.860 179.780 176.870 0.083 0.000 1.077 98 L CA 0.964 55.860 54.840 0.093 0.000 0.747 98 L CB -0.611 41.478 42.059 0.051 0.000 0.896 98 L HN 0.226 nan 8.230 nan 0.000 0.432 99 S N -0.946 114.807 115.700 0.088 0.000 2.356 99 S HA -0.251 4.219 4.470 0.001 0.000 0.223 99 S C 1.534 176.183 174.600 0.081 0.000 1.032 99 S CA 1.546 59.784 58.200 0.064 0.000 1.005 99 S CB -0.541 62.700 63.200 0.068 0.000 0.867 99 S HN 0.554 nan 8.310 nan 0.000 0.449 100 W N 2.178 123.455 121.300 -0.038 0.000 2.338 100 W HA -0.103 4.558 4.660 0.001 0.000 0.304 100 W C 1.751 178.210 176.519 -0.100 0.000 1.212 100 W CA 1.149 58.465 57.345 -0.048 0.000 1.264 100 W CB -0.451 29.002 29.460 -0.011 0.000 1.142 100 W HN 0.189 nan 8.180 nan 0.000 0.512 101 I N 0.351 120.994 120.570 0.121 0.000 2.163 101 I HA -0.371 3.799 4.170 0.001 0.000 0.243 101 I C 2.433 178.292 176.117 -0.428 0.000 1.085 101 I CA 1.557 62.757 61.300 -0.167 0.000 1.347 101 I CB -0.810 37.251 38.000 0.102 0.000 1.044 101 I HN -0.012 nan 8.210 nan 0.000 0.408 102 L N 0.216 121.300 121.223 -0.230 0.000 2.127 102 L HA -0.237 4.103 4.340 0.001 0.000 0.211 102 L C 2.309 178.997 176.870 -0.305 0.000 1.089 102 L CA 1.447 56.153 54.840 -0.223 0.000 0.757 102 L CB -0.552 41.439 42.059 -0.114 0.000 0.899 102 L HN 0.290 nan 8.230 nan 0.000 0.434 103 E N -0.934 119.047 120.200 -0.364 0.000 2.285 103 E HA -0.087 4.263 4.350 0.001 0.000 0.194 103 E C 0.486 176.778 176.600 -0.513 0.000 0.997 103 E CA 0.076 56.251 56.400 -0.374 0.000 0.845 103 E CB 0.151 29.655 29.700 -0.327 0.000 0.782 103 E HN 0.398 nan 8.360 nan 0.000 0.491 104 Q N -0.066 119.253 119.800 -0.802 0.000 2.392 104 Q HA 0.100 4.440 4.340 0.001 0.000 0.262 104 Q C 0.982 176.543 176.000 -0.733 0.000 1.003 104 Q CA 0.203 55.411 55.803 -0.991 0.000 0.888 104 Q CB 0.873 28.517 28.738 -1.825 0.000 1.260 104 Q HN 0.133 nan 8.270 nan 0.000 0.435 105 A N 3.257 125.776 122.820 -0.501 0.000 1.948 105 A HA -0.168 4.153 4.320 0.001 0.000 0.220 105 A C 1.397 178.887 177.584 -0.157 0.000 1.177 105 A CA 1.766 53.666 52.037 -0.228 0.000 0.636 105 A CB -0.681 18.289 19.000 -0.051 0.000 0.815 105 A HN 0.895 nan 8.150 nan 0.000 0.449 106 W N -2.397 118.859 121.300 -0.073 0.000 3.290 106 W HA 0.374 5.035 4.660 0.000 0.000 0.287 106 W C 0.395 176.892 176.519 -0.037 0.000 1.288 106 W CA -0.364 56.958 57.345 -0.037 0.000 1.725 106 W CB -1.330 28.126 29.460 -0.007 0.000 1.103 106 W HN 0.305 nan 8.180 nan 0.000 0.670 107 C N 5.380 124.492 119.300 -0.315 0.000 2.295 107 C HA 0.197 4.657 4.460 0.001 0.000 0.331 107 C C 1.474 176.386 174.990 -0.129 0.000 1.280 107 C CA -0.442 58.455 59.018 -0.202 0.000 1.746 107 C CB 0.383 27.862 27.740 -0.435 0.000 2.328 107 C HN 0.370 nan 8.230 nan 0.000 0.521 108 D N 2.528 122.902 120.400 -0.044 0.000 2.319 108 D HA 0.199 4.840 4.640 0.001 0.000 0.230 108 D C 1.362 177.632 176.300 -0.050 0.000 1.094 108 D CA 0.709 54.682 54.000 -0.044 0.000 0.856 108 D CB -0.209 40.578 40.800 -0.023 0.000 0.915 108 D HN 1.247 nan 8.370 nan 0.000 0.517 109 G N -0.061 108.701 108.800 -0.063 0.000 2.176 109 G HA2 -0.228 3.732 3.960 0.001 0.000 0.232 109 G HA3 -0.228 3.732 3.960 0.001 0.000 0.232 109 G C -0.236 174.647 174.900 -0.027 0.000 0.986 109 G CA -0.309 44.759 45.100 -0.053 0.000 0.643 109 G HN 0.412 nan 8.290 nan 0.000 0.522 110 N N 0.341 119.034 118.700 -0.012 0.000 2.442 110 N HA 0.535 5.276 4.740 0.001 0.000 0.274 110 N C -0.705 174.818 175.510 0.023 0.000 1.002 110 N CA -0.177 52.879 53.050 0.010 0.000 0.910 110 N CB 2.571 41.070 38.487 0.020 0.000 1.244 110 N HN 0.110 nan 8.380 nan 0.000 0.492 111 V N 0.512 120.434 119.914 0.014 0.000 2.680 111 V HA 0.810 4.931 4.120 0.001 0.000 0.309 111 V C 0.631 176.713 176.094 -0.021 0.000 1.052 111 V CA -0.717 61.587 62.300 0.007 0.000 0.908 111 V CB 1.891 33.724 31.823 0.016 0.000 1.001 111 V HN 0.714 nan 8.190 nan 0.000 0.431 112 G N 2.960 111.698 108.800 -0.103 0.000 2.818 112 G HA2 0.867 4.827 3.960 0.001 0.000 0.286 112 G HA3 0.867 4.827 3.960 0.001 0.000 0.286 112 G C -1.288 173.540 174.900 -0.120 0.000 1.364 112 G CA -0.847 44.164 45.100 -0.149 0.000 0.938 112 G HN 0.529 nan 8.290 nan 0.000 0.490 113 M N -0.322 119.286 119.600 0.014 0.000 2.593 113 M HA 0.657 5.138 4.480 0.001 0.000 0.290 113 M C -1.278 175.225 176.300 0.337 0.000 1.244 113 M CA -0.607 54.724 55.300 0.051 0.000 0.857 113 M CB 2.855 35.427 32.600 -0.046 0.000 1.738 113 M HN 0.670 nan 8.290 nan 0.000 0.461 114 F N -1.002 118.995 119.950 0.080 0.000 2.711 114 F HA 0.990 5.517 4.527 0.001 0.000 0.313 114 F C -0.517 175.299 175.800 0.027 0.000 1.141 114 F CA -0.621 57.496 58.000 0.195 0.000 0.941 114 F CB 1.397 40.664 39.000 0.445 0.000 1.349 114 F HN 0.858 nan 8.300 nan 0.000 0.464 115 G N 0.148 109.008 108.800 0.099 0.000 2.340 115 G HA2 0.454 4.414 3.960 0.001 0.000 0.527 115 G HA3 0.454 4.414 3.960 0.001 0.000 0.527 115 G C -2.648 172.231 174.900 -0.034 0.000 1.381 115 G CA -0.288 44.739 45.100 -0.120 0.000 1.001 115 G HN 1.597 nan 8.290 nan 0.000 0.626 116 V N 0.266 120.157 119.914 -0.040 0.000 2.715 116 V HA 0.846 4.967 4.120 0.001 0.000 0.310 116 V C 1.202 177.282 176.094 -0.024 0.000 1.054 116 V CA 1.845 64.133 62.300 -0.020 0.000 0.928 116 V CB 1.170 32.994 31.823 0.003 0.000 1.007 116 V HN 2.911 nan 8.190 nan 0.000 0.437 117 S N 4.058 119.713 115.700 -0.074 0.000 4.141 117 S HA -0.346 4.125 4.470 0.001 0.000 0.622 117 S C 0.905 175.496 174.600 -0.016 0.000 1.894 117 S CA 1.817 59.997 58.200 -0.033 0.000 4.238 117 S CB -1.744 61.632 63.200 0.294 0.000 0.205 117 S HN 1.382 nan 8.310 nan 0.000 0.486 118 Y N 2.019 122.376 120.300 0.095 0.000 2.274 118 Y HA 0.042 4.592 4.550 0.001 0.000 0.290 118 Y C 1.978 177.858 175.900 -0.033 0.000 1.145 118 Y CA 2.189 60.342 58.100 0.088 0.000 1.203 118 Y CB -0.325 38.252 38.460 0.195 0.000 0.984 118 Y HN 0.410 nan 8.280 nan 0.000 0.533 119 L N -0.681 120.599 121.223 0.095 0.000 2.456 119 L HA -0.045 4.295 4.340 0.001 0.000 0.224 119 L C 2.462 179.228 176.870 -0.173 0.000 1.148 119 L CA 1.613 56.364 54.840 -0.148 0.000 0.825 119 L CB -1.213 40.597 42.059 -0.416 0.000 0.937 119 L HN 0.296 nan 8.230 nan 0.000 0.450 120 G N -1.567 107.155 108.800 -0.130 0.000 2.490 120 G HA2 -0.022 3.939 3.960 0.001 0.000 0.211 120 G HA3 -0.022 3.939 3.960 0.001 0.000 0.211 120 G C 1.545 176.365 174.900 -0.134 0.000 1.159 120 G CA 0.523 45.532 45.100 -0.152 0.000 0.819 120 G HN 0.147 nan 8.290 nan 0.000 0.539 121 V N 2.353 122.203 119.914 -0.106 0.000 2.287 121 V HA -0.232 3.888 4.120 0.001 0.000 0.248 121 V C 3.336 179.411 176.094 -0.032 0.000 1.053 121 V CA 2.547 64.829 62.300 -0.030 0.000 1.027 121 V CB -1.244 30.478 31.823 -0.167 0.000 0.646 121 V HN 0.621 nan 8.190 nan 0.000 0.447 122 T N -1.770 112.715 114.554 -0.114 0.000 2.929 122 T HA -0.263 4.087 4.350 0.001 0.000 0.271 122 T C 1.669 176.332 174.700 -0.063 0.000 1.085 122 T CA 1.559 63.617 62.100 -0.069 0.000 1.125 122 T CB -0.348 68.496 68.868 -0.041 0.000 0.874 122 T HN 0.606 nan 8.240 nan 0.000 0.494 123 Q N -0.234 119.485 119.800 -0.135 0.000 2.137 123 Q HA 0.031 4.371 4.340 0.001 0.000 0.198 123 Q C 1.962 177.846 176.000 -0.193 0.000 0.960 123 Q CA 1.173 56.850 55.803 -0.210 0.000 0.847 123 Q CB -0.253 28.280 28.738 -0.342 0.000 0.915 123 Q HN 0.712 nan 8.270 nan 0.000 0.448 124 W N 1.482 122.775 121.300 -0.011 0.000 2.388 124 W HA -0.146 4.514 4.660 0.000 0.000 0.294 124 W C 2.228 178.748 176.519 0.002 0.000 1.212 124 W CA 0.602 57.948 57.345 0.002 0.000 1.271 124 W CB 0.086 29.551 29.460 0.008 0.000 1.126 124 W HN 0.195 nan 8.180 nan 0.000 0.535 125 Q N -0.099 119.818 119.800 0.194 0.000 2.167 125 Q HA -0.110 4.231 4.340 0.001 0.000 0.202 125 Q C 2.414 178.462 176.000 0.081 0.000 0.970 125 Q CA 1.424 57.298 55.803 0.119 0.000 0.855 125 Q CB -0.460 28.325 28.738 0.079 0.000 0.911 125 Q HN 0.313 nan 8.270 nan 0.000 0.438 126 A N 1.097 123.946 122.820 0.049 0.000 1.897 126 A HA -0.005 4.315 4.320 0.001 0.000 0.215 126 A C 2.300 179.910 177.584 0.043 0.000 1.181 126 A CA 1.284 53.339 52.037 0.029 0.000 0.620 126 A CB -0.657 18.340 19.000 -0.006 0.000 0.821 126 A HN 0.362 nan 8.150 nan 0.000 0.443 127 A N 0.104 122.959 122.820 0.058 0.000 1.972 127 A HA -0.019 4.301 4.320 0.001 0.000 0.219 127 A C 2.132 179.774 177.584 0.097 0.000 1.169 127 A CA 1.939 54.022 52.037 0.078 0.000 0.635 127 A CB -1.105 17.966 19.000 0.119 0.000 0.810 127 A HN 1.144 nan 8.150 nan 0.000 0.446 128 V N -1.281 118.701 119.914 0.112 0.000 3.380 128 V HA -0.060 4.061 4.120 0.001 0.000 0.268 128 V C 2.056 178.184 176.094 0.056 0.000 1.168 128 V CA 1.745 64.097 62.300 0.086 0.000 1.156 128 V CB -1.074 30.802 31.823 0.087 0.000 0.785 128 V HN 0.636 nan 8.190 nan 0.000 0.487 129 S N 0.633 116.364 115.700 0.051 0.000 2.481 129 S HA 0.180 4.650 4.470 0.001 0.000 0.231 129 S C 1.894 176.512 174.600 0.030 0.000 0.996 129 S CA 0.810 59.032 58.200 0.038 0.000 0.942 129 S CB -0.584 62.638 63.200 0.035 0.000 0.768 129 S HN 1.792 nan 8.310 nan 0.000 0.520 130 G N 0.870 109.689 108.800 0.032 0.000 2.203 130 G HA2 -0.251 3.710 3.960 0.001 0.000 0.263 130 G HA3 -0.251 3.710 3.960 0.001 0.000 0.263 130 G C 0.066 174.977 174.900 0.018 0.000 1.012 130 G CA 0.178 45.293 45.100 0.024 0.000 0.749 130 G HN 0.753 nan 8.290 nan 0.000 0.512 131 V N 0.663 120.588 119.914 0.019 0.000 2.475 131 V HA 0.308 4.428 4.120 0.001 0.000 0.292 131 V C 2.136 178.236 176.094 0.010 0.000 1.003 131 V CA 1.178 63.487 62.300 0.014 0.000 1.120 131 V CB 0.588 32.421 31.823 0.017 0.000 0.937 131 V HN 0.602 nan 8.190 nan 0.000 0.476 132 G N 4.558 113.361 108.800 0.005 0.000 2.442 132 G HA2 -0.178 3.783 3.960 0.001 0.000 0.219 132 G HA3 -0.178 3.783 3.960 0.001 0.000 0.219 132 G C 1.489 176.389 174.900 0.000 0.000 1.141 132 G CA 0.779 45.880 45.100 0.002 0.000 0.763 132 G HN 0.921 nan 8.290 nan 0.000 0.554 133 G N -0.157 108.641 108.800 -0.004 0.000 2.509 133 G HA2 0.070 4.031 3.960 0.001 0.000 0.218 133 G HA3 0.070 4.031 3.960 0.001 0.000 0.218 133 G C 0.677 175.579 174.900 0.003 0.000 1.124 133 G CA -0.029 45.067 45.100 -0.006 0.000 0.776 133 G HN 0.411 nan 8.290 nan 0.000 0.547 134 L N 1.063 122.290 121.223 0.007 0.000 2.407 134 L HA 0.344 4.684 4.340 0.001 0.000 0.282 134 L C 0.946 177.824 176.870 0.013 0.000 1.110 134 L CA -0.223 54.624 54.840 0.011 0.000 0.863 134 L CB 0.665 42.731 42.059 0.012 0.000 1.207 134 L HN -0.158 nan 8.230 nan 0.000 0.454 135 K N 4.195 124.608 120.400 0.020 0.000 2.354 135 K HA 0.517 4.837 4.320 0.001 0.000 0.194 135 K C 0.015 176.615 176.600 0.000 0.000 1.038 135 K CA 0.571 56.869 56.287 0.018 0.000 1.052 135 K CB 0.555 33.080 32.500 0.042 0.000 0.861 135 K HN 0.600 nan 8.250 nan 0.000 0.535 136 A N 1.182 124.037 122.820 0.059 0.000 2.599 136 A HA 0.603 4.923 4.320 0.001 0.000 0.294 136 A C -1.145 176.589 177.584 0.250 0.000 1.055 136 A CA -0.957 51.162 52.037 0.136 0.000 0.683 136 A CB 0.831 19.925 19.000 0.157 0.000 1.278 136 A HN 0.165 nan 8.150 nan 0.000 0.412 137 I N -2.047 118.666 120.570 0.238 0.000 3.002 137 I HA 0.964 5.135 4.170 0.001 0.000 0.310 137 I C -0.062 176.132 176.117 0.129 0.000 1.087 137 I CA -1.131 60.248 61.300 0.131 0.000 1.017 137 I CB 2.572 40.460 38.000 -0.186 0.000 1.226 137 I HN 1.164 nan 8.210 nan 0.000 0.443 138 A N 3.316 126.181 122.820 0.076 0.000 3.266 138 A HA 0.607 4.927 4.320 0.001 0.000 0.310 138 A C -2.882 174.699 177.584 -0.004 0.000 1.066 138 A CA -1.184 50.841 52.037 -0.020 0.000 0.839 138 A CB -0.025 19.049 19.000 0.123 0.000 1.192 138 A HN 0.527 nan 8.150 nan 0.000 0.496 139 P HA 0.242 nan 4.420 nan 0.000 0.287 139 P C -0.160 177.133 177.300 -0.012 0.000 1.294 139 P CA 0.285 63.294 63.100 -0.151 0.000 0.776 139 P CB 1.578 33.049 31.700 -0.381 0.000 0.889 140 S N 5.150 120.855 115.700 0.008 0.000 2.451 140 S HA 0.503 4.973 4.470 0.001 0.000 0.301 140 S C 0.528 175.106 174.600 -0.037 0.000 1.116 140 S CA -0.463 57.756 58.200 0.032 0.000 1.093 140 S CB -0.195 63.055 63.200 0.083 0.000 1.017 140 S HN 0.367 nan 8.310 nan 0.000 0.482 141 M N 1.574 121.167 119.600 -0.011 0.000 2.303 141 M HA -0.201 4.280 4.480 0.001 0.000 0.189 141 M C 0.004 176.048 176.300 -0.426 0.000 0.688 141 M CA 1.040 56.321 55.300 -0.032 0.000 0.479 141 M CB -3.259 29.380 32.600 0.066 0.000 1.094 141 M HN 0.730 nan 8.290 nan 0.000 0.907 142 A N -0.285 122.335 122.820 -0.333 0.000 2.475 142 A HA 0.957 5.277 4.320 0.001 0.000 0.281 142 A C -0.135 177.425 177.584 -0.039 0.000 1.263 142 A CA 0.093 51.832 52.037 -0.496 0.000 0.776 142 A CB 2.237 21.170 19.000 -0.112 0.000 1.347 142 A HN 0.658 nan 8.150 nan 0.000 0.443 143 S N -2.463 113.300 115.700 0.105 0.000 2.556 143 S HA 0.600 5.070 4.470 0.001 0.000 0.271 143 S C -0.199 174.444 174.600 0.072 0.000 1.135 143 S CA 0.327 58.632 58.200 0.175 0.000 0.858 143 S CB 1.691 65.075 63.200 0.305 0.000 1.114 143 S HN 2.007 nan 8.310 nan 0.000 0.468 144 A N 1.884 124.643 122.820 -0.101 0.000 2.470 144 A HA 0.412 4.732 4.320 0.001 0.000 0.251 144 A C 0.003 177.593 177.584 0.009 0.000 1.245 144 A CA -0.016 51.930 52.037 -0.151 0.000 0.932 144 A CB 0.005 18.730 19.000 -0.459 0.000 1.037 144 A HN 0.669 nan 8.150 nan 0.000 0.522 145 D N 0.425 120.826 120.400 0.001 0.000 2.386 145 D HA 0.235 4.875 4.640 0.001 0.000 0.247 145 D C 0.347 176.653 176.300 0.011 0.000 1.336 145 D CA -0.372 53.639 54.000 0.018 0.000 0.976 145 D CB 1.056 41.815 40.800 -0.068 0.000 1.257 145 D HN -0.056 nan 8.370 nan 0.000 0.570 146 L N 3.262 124.533 121.223 0.080 0.000 2.291 146 L HA -0.092 4.249 4.340 0.001 0.000 0.214 146 L C 1.859 178.731 176.870 0.003 0.000 1.120 146 L CA 0.988 55.871 54.840 0.072 0.000 0.799 146 L CB -1.286 40.909 42.059 0.227 0.000 0.925 146 L HN 0.562 nan 8.230 nan 0.000 0.446 147 Y N 1.309 121.477 120.300 -0.220 0.000 2.163 147 Y HA -0.195 4.356 4.550 0.000 0.000 0.288 147 Y C 2.812 178.508 175.900 -0.339 0.000 1.136 147 Y CA 1.616 59.341 58.100 -0.626 0.000 1.147 147 Y CB 0.007 38.010 38.460 -0.763 0.000 0.987 147 Y HN 0.022 nan 8.280 nan 0.000 0.509 148 R N 0.174 120.630 120.500 -0.073 0.000 2.115 148 R HA 0.191 4.532 4.340 0.001 0.000 0.226 148 R C 0.001 176.168 176.300 -0.221 0.000 1.100 148 R CA 0.777 56.801 56.100 -0.127 0.000 0.980 148 R CB -0.047 30.187 30.300 -0.110 0.000 0.875 148 R HN 0.255 nan 8.270 nan 0.000 0.445 149 A N 0.229 122.892 122.820 -0.262 0.000 2.540 149 A HA 0.365 4.686 4.320 0.001 0.000 0.297 149 A C -2.465 174.793 177.584 -0.545 0.000 1.056 149 A CA -1.188 50.576 52.037 -0.456 0.000 0.700 149 A CB 1.707 20.454 19.000 -0.421 0.000 1.280 149 A HN -0.105 nan 8.150 nan 0.000 0.398 150 P HA 0.135 nan 4.420 nan 0.000 0.275 150 P C 0.373 177.221 177.300 -0.754 0.000 1.310 150 P CA 0.278 62.691 63.100 -1.144 0.000 0.904 150 P CB 0.036 30.807 31.700 -1.548 0.000 1.381 151 W N -1.236 119.929 121.300 -0.224 0.000 2.481 151 W HA 0.061 4.721 4.660 0.001 0.000 0.293 151 W C 1.510 177.710 176.519 -0.532 0.000 1.201 151 W CA 0.073 57.278 57.345 -0.233 0.000 1.328 151 W CB -0.500 28.967 29.460 0.012 0.000 1.112 151 W HN -0.121 nan 8.180 nan 0.000 0.546 152 Y N -0.737 119.257 120.300 -0.511 0.000 2.986 152 Y HA 0.696 5.246 4.550 0.001 0.000 0.266 152 Y C 1.000 176.629 175.900 -0.452 0.000 1.419 152 Y CA 0.165 57.868 58.100 -0.662 0.000 1.147 152 Y CB 0.058 37.576 38.460 -1.570 0.000 1.106 152 Y HN -0.240 nan 8.280 nan 0.000 0.678 153 G N -1.205 107.405 108.800 -0.317 0.000 2.322 153 G HA2 0.226 4.186 3.960 0.001 0.000 0.295 153 G HA3 0.226 4.186 3.960 0.001 0.000 0.295 153 G C -2.653 172.191 174.900 -0.092 0.000 1.369 153 G CA -0.656 44.350 45.100 -0.156 0.000 0.821 153 G HN 0.084 nan 8.290 nan 0.000 0.536 154 P HA 0.031 nan 4.420 nan 0.000 0.225 154 P C 1.499 178.769 177.300 -0.050 0.000 1.148 154 P CA 1.553 64.625 63.100 -0.047 0.000 0.779 154 P CB 0.144 31.812 31.700 -0.053 0.000 0.780 155 G N -0.794 107.951 108.800 -0.091 0.000 2.939 155 G HA2 0.255 4.216 3.960 0.001 0.000 0.210 155 G HA3 0.255 4.216 3.960 0.001 0.000 0.210 155 G C 1.089 175.951 174.900 -0.063 0.000 1.160 155 G CA 0.394 45.438 45.100 -0.093 0.000 0.770 155 G HN 0.416 nan 8.290 nan 0.000 0.543 156 G N -0.952 107.785 108.800 -0.105 0.000 2.160 156 G HA2 0.165 4.125 3.960 0.001 0.000 0.244 156 G HA3 0.165 4.125 3.960 0.001 0.000 0.244 156 G C 0.277 175.170 174.900 -0.012 0.000 1.022 156 G CA 0.264 45.237 45.100 -0.212 0.000 0.741 156 G HN 1.347 nan 8.290 nan 0.000 0.508 157 A N -0.512 122.296 122.820 -0.019 0.000 2.324 157 A HA 0.830 5.150 4.320 0.001 0.000 0.330 157 A C 0.237 177.856 177.584 0.058 0.000 1.165 157 A CA -0.562 51.508 52.037 0.055 0.000 0.813 157 A CB 1.316 20.247 19.000 -0.116 0.000 1.197 157 A HN 1.555 nan 8.150 nan 0.000 0.484 158 L N 2.204 123.402 121.223 -0.042 0.000 2.513 158 L HA 0.187 4.527 4.340 0.001 0.000 0.272 158 L C 0.454 177.218 176.870 -0.176 0.000 1.187 158 L CA 0.847 55.374 54.840 -0.522 0.000 0.895 158 L CB 0.640 42.465 42.059 -0.389 0.000 1.147 158 L HN 0.512 nan 8.230 nan 0.000 0.483 159 S N 4.758 120.312 115.700 -0.243 0.000 3.530 159 S HA 0.046 4.516 4.470 0.001 0.000 0.279 159 S C 1.194 175.747 174.600 -0.079 0.000 1.280 159 S CA -0.020 58.105 58.200 -0.124 0.000 0.946 159 S CB 0.454 63.564 63.200 -0.150 0.000 1.501 159 S HN 0.681 nan 8.310 nan 0.000 0.498 160 V N 3.346 123.211 119.914 -0.081 0.000 2.358 160 V HA -0.212 3.908 4.120 0.001 0.000 0.246 160 V C 2.302 178.383 176.094 -0.022 0.000 1.047 160 V CA 2.414 64.686 62.300 -0.047 0.000 1.035 160 V CB -0.284 31.528 31.823 -0.019 0.000 0.658 160 V HN 0.839 nan 8.190 nan 0.000 0.452 161 E N 1.315 121.469 120.200 -0.076 0.000 2.106 161 E HA -0.091 4.259 4.350 0.001 0.000 0.192 161 E C 2.067 178.795 176.600 0.213 0.000 0.984 161 E CA 1.785 58.188 56.400 0.005 0.000 0.806 161 E CB -1.012 28.658 29.700 -0.050 0.000 0.750 161 E HN 0.541 nan 8.360 nan 0.000 0.458 162 A N 1.106 124.068 122.820 0.237 0.000 1.883 162 A HA -0.113 4.208 4.320 0.001 0.000 0.217 162 A C 2.254 180.220 177.584 0.637 0.000 1.186 162 A CA 1.610 53.934 52.037 0.478 0.000 0.624 162 A CB -0.872 18.250 19.000 0.202 0.000 0.822 162 A HN 0.332 nan 8.150 nan 0.000 0.444 163 L N -0.174 121.336 121.223 0.479 0.000 1.994 163 L HA -0.108 4.232 4.340 0.001 0.000 0.208 163 L C 2.340 179.353 176.870 0.239 0.000 1.071 163 L CA 1.823 56.887 54.840 0.373 0.000 0.745 163 L CB -0.465 41.665 42.059 0.118 0.000 0.892 163 L HN 0.410 nan 8.230 nan 0.000 0.431 164 L N -0.885 120.414 121.223 0.128 0.000 2.093 164 L HA -0.079 4.262 4.340 0.001 0.000 0.208 164 L C 2.530 179.386 176.870 -0.023 0.000 1.085 164 L CA 1.117 55.987 54.840 0.049 0.000 0.755 164 L CB -1.469 40.604 42.059 0.022 0.000 0.904 164 L HN 0.474 nan 8.230 nan 0.000 0.435 165 G N -0.633 108.124 108.800 -0.071 0.000 2.421 165 G HA2 -0.312 3.648 3.960 0.001 0.000 0.216 165 G HA3 -0.312 3.648 3.960 0.001 0.000 0.216 165 G C 1.281 175.689 174.900 -0.820 0.000 1.171 165 G CA 0.486 45.321 45.100 -0.442 0.000 0.775 165 G HN 0.437 nan 8.290 nan 0.000 0.543 166 W N 1.797 122.587 121.300 -0.848 0.000 2.381 166 W HA -0.007 4.653 4.660 0.001 0.000 0.301 166 W C 2.855 179.331 176.519 -0.070 0.000 1.205 166 W CA 1.564 58.676 57.345 -0.389 0.000 1.285 166 W CB -0.204 29.466 29.460 0.350 0.000 1.133 166 W HN 0.190 nan 8.180 nan 0.000 0.521 167 S N 0.370 116.106 115.700 0.059 0.000 2.370 167 S HA -0.209 4.262 4.470 0.001 0.000 0.226 167 S C 2.002 176.494 174.600 -0.179 0.000 1.033 167 S CA 1.559 59.728 58.200 -0.052 0.000 1.011 167 S CB -0.969 62.293 63.200 0.104 0.000 0.852 167 S HN 0.373 nan 8.310 nan 0.000 0.457 168 A N 0.989 123.704 122.820 -0.175 0.000 1.930 168 A HA -0.005 4.316 4.320 0.001 0.000 0.217 168 A C 2.101 179.544 177.584 -0.235 0.000 1.175 168 A CA 1.109 53.036 52.037 -0.183 0.000 0.627 168 A CB -0.623 18.280 19.000 -0.161 0.000 0.815 168 A HN 0.390 nan 8.150 nan 0.000 0.443 169 L N -0.105 120.941 121.223 -0.295 0.000 2.017 169 L HA -0.137 4.203 4.340 0.001 0.000 0.208 169 L C 2.262 178.965 176.870 -0.279 0.000 1.073 169 L CA 1.460 56.145 54.840 -0.259 0.000 0.745 169 L CB -0.347 41.571 42.059 -0.235 0.000 0.894 169 L HN 0.320 nan 8.230 nan 0.000 0.432 170 I N -0.481 119.801 120.570 -0.481 0.000 2.163 170 I HA -0.231 3.939 4.170 0.001 0.000 0.243 170 I C 2.555 178.494 176.117 -0.298 0.000 1.085 170 I CA 1.604 62.609 61.300 -0.492 0.000 1.347 170 I CB -2.119 35.403 38.000 -0.797 0.000 1.044 170 I HN 0.370 nan 8.210 nan 0.000 0.408 171 G N 0.621 109.282 108.800 -0.231 0.000 2.469 171 G HA2 -0.279 3.681 3.960 0.001 0.000 0.219 171 G HA3 -0.279 3.681 3.960 0.001 0.000 0.219 171 G C 1.917 176.762 174.900 -0.091 0.000 1.150 171 G CA 0.628 45.645 45.100 -0.139 0.000 0.763 171 G HN 0.323 nan 8.290 nan 0.000 0.561 172 R N 0.019 120.455 120.500 -0.106 0.000 2.120 172 R HA -0.009 4.331 4.340 0.001 0.000 0.234 172 R C 2.889 179.256 176.300 0.111 0.000 1.123 172 R CA 0.964 57.059 56.100 -0.009 0.000 0.975 172 R CB -0.473 29.704 30.300 -0.206 0.000 0.866 172 R HN 0.373 nan 8.270 nan 0.000 0.446 173 G N 0.899 109.699 108.800 0.001 0.000 2.418 173 G HA2 -0.218 3.742 3.960 0.001 0.000 0.217 173 G HA3 -0.218 3.742 3.960 0.001 0.000 0.217 173 G C 1.388 176.176 174.900 -0.186 0.000 1.158 173 G CA 0.439 45.542 45.100 0.006 0.000 0.771 173 G HN 0.127 nan 8.290 nan 0.000 0.545 174 L N 0.047 121.137 121.223 -0.222 0.000 2.017 174 L HA -0.062 4.278 4.340 0.001 0.000 0.208 174 L C 2.879 179.659 176.870 -0.150 0.000 1.073 174 L CA 0.831 55.523 54.840 -0.247 0.000 0.745 174 L CB -0.446 41.504 42.059 -0.182 0.000 0.894 174 L HN 0.200 nan 8.230 nan 0.000 0.432 175 I N -0.401 120.146 120.570 -0.039 0.000 2.127 175 I HA -0.290 3.880 4.170 0.001 0.000 0.241 175 I C 2.423 178.520 176.117 -0.033 0.000 1.075 175 I CA 1.803 63.107 61.300 0.007 0.000 1.334 175 I CB -0.597 37.488 38.000 0.141 0.000 1.040 175 I HN 0.231 nan 8.210 nan 0.000 0.405 176 T N -0.168 114.394 114.554 0.013 0.000 3.007 176 T HA -0.092 4.258 4.350 0.001 0.000 0.270 176 T C 1.807 176.505 174.700 -0.003 0.000 1.107 176 T CA 1.432 63.523 62.100 -0.015 0.000 1.118 176 T CB -0.246 68.670 68.868 0.081 0.000 0.889 176 T HN 0.514 nan 8.240 nan 0.000 0.506 177 S N 0.358 116.022 115.700 -0.059 0.000 2.575 177 S HA 0.186 4.656 4.470 0.001 0.000 0.215 177 S C 0.756 175.294 174.600 -0.103 0.000 0.966 177 S CA -0.521 57.624 58.200 -0.092 0.000 0.911 177 S CB -0.089 62.846 63.200 -0.442 0.000 0.780 177 S HN 0.311 nan 8.310 nan 0.000 0.514 178 R N 2.281 122.724 120.500 -0.096 0.000 2.489 178 R HA 0.186 4.527 4.340 0.001 0.000 0.287 178 R C 1.278 177.549 176.300 -0.049 0.000 1.053 178 R CA 0.442 56.495 56.100 -0.079 0.000 1.036 178 R CB 0.584 30.843 30.300 -0.069 0.000 0.966 178 R HN 0.523 nan 8.270 nan 0.000 0.432 179 S N 1.849 117.524 115.700 -0.041 0.000 2.343 179 S HA -0.117 4.354 4.470 0.001 0.000 0.219 179 S C 0.410 174.995 174.600 -0.025 0.000 1.033 179 S CA 0.880 59.066 58.200 -0.023 0.000 1.014 179 S CB 0.005 63.194 63.200 -0.018 0.000 0.915 179 S HN 0.545 nan 8.310 nan 0.000 0.435 180 D N 2.486 122.869 120.400 -0.028 0.000 2.456 180 D HA 0.637 5.277 4.640 0.001 0.000 0.219 180 D C -0.315 175.966 176.300 -0.032 0.000 1.126 180 D CA -0.060 53.924 54.000 -0.027 0.000 0.890 180 D CB 0.928 41.715 40.800 -0.022 0.000 1.025 180 D HN 0.523 nan 8.370 nan 0.000 0.511 181 A N 3.881 126.680 122.820 -0.035 0.000 2.573 181 A HA 0.001 4.322 4.320 0.001 0.000 0.250 181 A C 0.766 178.332 177.584 -0.030 0.000 1.049 181 A CA 0.315 52.328 52.037 -0.039 0.000 0.767 181 A CB 0.135 19.107 19.000 -0.046 0.000 0.965 181 A HN 0.481 nan 8.150 nan 0.000 0.514 182 R N 3.052 123.536 120.500 -0.028 0.000 2.531 182 R HA 0.277 4.618 4.340 0.001 0.000 0.273 182 R C -1.684 174.606 176.300 -0.016 0.000 1.070 182 R CA -1.594 54.495 56.100 -0.019 0.000 1.112 182 R CB 0.290 30.580 30.300 -0.017 0.000 1.049 182 R HN 0.455 nan 8.270 nan 0.000 0.508 183 P HA -0.214 nan 4.420 nan 0.000 0.216 183 P C 0.730 178.029 177.300 -0.002 0.000 1.150 183 P CA 1.213 64.308 63.100 -0.008 0.000 0.837 183 P CB 0.174 31.871 31.700 -0.005 0.000 0.786 184 E N -0.543 119.658 120.200 0.001 0.000 2.427 184 E HA -0.145 4.205 4.350 0.001 0.000 0.196 184 E C 0.908 177.519 176.600 0.019 0.000 1.028 184 E CA 0.790 57.196 56.400 0.009 0.000 0.864 184 E CB -0.925 28.780 29.700 0.009 0.000 0.813 184 E HN 0.190 nan 8.360 nan 0.000 0.514 185 D N 2.348 122.755 120.400 0.010 0.000 2.106 185 D HA -0.156 4.484 4.640 0.001 0.000 0.191 185 D C 1.980 178.308 176.300 0.046 0.000 0.997 185 D CA 2.370 56.382 54.000 0.019 0.000 0.834 185 D CB -0.418 40.372 40.800 -0.018 0.000 0.956 185 D HN 0.359 nan 8.370 nan 0.000 0.448 186 A N 0.817 123.647 122.820 0.016 0.000 1.883 186 A HA -0.117 4.203 4.320 0.001 0.000 0.217 186 A C 2.303 179.943 177.584 0.093 0.000 1.186 186 A CA 2.729 54.785 52.037 0.031 0.000 0.624 186 A CB -0.835 18.166 19.000 0.002 0.000 0.822 186 A HN 0.268 nan 8.150 nan 0.000 0.444 187 A N -0.439 122.421 122.820 0.066 0.000 1.897 187 A HA -0.112 4.208 4.320 0.001 0.000 0.215 187 A C 1.797 179.427 177.584 0.076 0.000 1.181 187 A CA 1.757 53.832 52.037 0.063 0.000 0.620 187 A CB -0.578 18.445 19.000 0.038 0.000 0.821 187 A HN 0.433 nan 8.150 nan 0.000 0.443 188 D N -0.897 119.550 120.400 0.077 0.000 2.123 188 D HA -0.163 4.477 4.640 0.001 0.000 0.196 188 D C 1.590 177.945 176.300 0.091 0.000 0.992 188 D CA 1.187 55.227 54.000 0.067 0.000 0.833 188 D CB -0.446 40.390 40.800 0.060 0.000 0.954 188 D HN 0.471 nan 8.370 nan 0.000 0.455 189 F N 0.865 120.805 119.950 -0.017 0.000 2.095 189 F HA -0.246 4.282 4.527 0.001 0.000 0.298 189 F C 2.296 178.091 175.800 -0.009 0.000 1.104 189 F CA 1.084 59.075 58.000 -0.016 0.000 1.232 189 F CB -0.020 38.973 39.000 -0.012 0.000 0.987 189 F HN -0.186 nan 8.300 nan 0.000 0.475 190 V N -0.172 119.828 119.914 0.144 0.000 2.427 190 V HA -0.260 3.860 4.120 0.001 0.000 0.248 190 V C 2.252 178.335 176.094 -0.017 0.000 1.051 190 V CA 1.607 63.940 62.300 0.055 0.000 1.048 190 V CB -0.581 31.295 31.823 0.088 0.000 0.666 190 V HN 0.325 nan 8.190 nan 0.000 0.456 191 Q N -0.371 119.425 119.800 -0.007 0.000 2.172 191 Q HA -0.014 4.326 4.340 0.001 0.000 0.200 191 Q C 2.205 178.172 176.000 -0.054 0.000 0.964 191 Q CA 1.304 57.096 55.803 -0.019 0.000 0.855 191 Q CB -0.377 28.361 28.738 -0.001 0.000 0.918 191 Q HN 0.553 nan 8.270 nan 0.000 0.444 192 L N -0.055 121.109 121.223 -0.098 0.000 2.093 192 L HA -0.119 4.221 4.340 0.001 0.000 0.208 192 L C 2.383 179.149 176.870 -0.174 0.000 1.085 192 L CA 1.017 55.769 54.840 -0.147 0.000 0.755 192 L CB -0.680 41.257 42.059 -0.204 0.000 0.904 192 L HN 0.092 nan 8.230 nan 0.000 0.435 193 A N 0.280 122.970 122.820 -0.217 0.000 1.940 193 A HA -0.222 4.099 4.320 0.001 0.000 0.219 193 A C 2.536 180.072 177.584 -0.079 0.000 1.176 193 A CA 1.875 53.812 52.037 -0.166 0.000 0.631 193 A CB -0.708 18.201 19.000 -0.153 0.000 0.814 193 A HN 0.410 nan 8.150 nan 0.000 0.446 194 A N -0.215 122.572 122.820 -0.056 0.000 1.972 194 A HA -0.048 4.272 4.320 0.001 0.000 0.219 194 A C 2.099 179.675 177.584 -0.013 0.000 1.169 194 A CA 1.431 53.455 52.037 -0.021 0.000 0.635 194 A CB -0.551 18.443 19.000 -0.010 0.000 0.810 194 A HN 0.523 nan 8.150 nan 0.000 0.446 195 I N -0.592 119.962 120.570 -0.027 0.000 2.202 195 I HA -0.243 3.928 4.170 0.001 0.000 0.242 195 I C 2.280 178.394 176.117 -0.006 0.000 1.091 195 I CA 1.159 62.448 61.300 -0.017 0.000 1.368 195 I CB -0.356 37.622 38.000 -0.036 0.000 1.058 195 I HN 0.266 nan 8.210 nan 0.000 0.410 196 L N 0.563 121.769 121.223 -0.028 0.000 2.201 196 L HA -0.174 4.166 4.340 0.001 0.000 0.212 196 L C 1.974 178.864 176.870 0.032 0.000 1.105 196 L CA 1.001 55.840 54.840 -0.001 0.000 0.775 196 L CB -0.574 41.465 42.059 -0.033 0.000 0.913 196 L HN 0.310 nan 8.230 nan 0.000 0.440 197 N N -0.849 117.861 118.700 0.017 0.000 2.446 197 N HA -0.077 4.663 4.740 0.001 0.000 0.179 197 N C 0.109 175.648 175.510 0.049 0.000 1.054 197 N CA 0.784 53.850 53.050 0.027 0.000 0.905 197 N CB 0.122 38.618 38.487 0.014 0.000 0.973 197 N HN 0.182 nan 8.380 nan 0.000 0.448 198 D N -0.302 120.134 120.400 0.060 0.000 2.823 198 D HA 0.143 4.784 4.640 0.001 0.000 0.255 198 D C 0.736 177.085 176.300 0.082 0.000 1.257 198 D CA -0.183 53.867 54.000 0.082 0.000 0.803 198 D CB 0.172 41.008 40.800 0.059 0.000 1.384 198 D HN -0.309 nan 8.370 nan 0.000 0.541 199 V N 1.195 121.186 119.914 0.129 0.000 2.427 199 V HA -0.121 3.999 4.120 0.001 0.000 0.248 199 V C 2.573 178.623 176.094 -0.073 0.000 1.051 199 V CA 2.024 64.362 62.300 0.063 0.000 1.048 199 V CB -0.569 31.334 31.823 0.134 0.000 0.666 199 V HN 0.525 nan 8.190 nan 0.000 0.456 200 A N 0.678 123.398 122.820 -0.167 0.000 1.933 200 A HA -0.050 4.270 4.320 0.001 0.000 0.218 200 A C 2.406 180.006 177.584 0.027 0.000 1.175 200 A CA 1.826 53.691 52.037 -0.286 0.000 0.628 200 A CB -1.121 17.679 19.000 -0.334 0.000 0.814 200 A HN 0.511 nan 8.150 nan 0.000 0.444 201 G N -0.330 108.505 108.800 0.058 0.000 2.433 201 G HA2 -0.018 3.942 3.960 0.001 0.000 0.216 201 G HA3 -0.018 3.942 3.960 0.001 0.000 0.216 201 G C 1.783 176.729 174.900 0.076 0.000 1.186 201 G CA 1.488 46.637 45.100 0.082 0.000 0.779 201 G HN 0.807 nan 8.290 nan 0.000 0.543 202 A N 1.067 123.916 122.820 0.049 0.000 1.940 202 A HA 0.241 4.561 4.320 0.001 0.000 0.219 202 A C 2.719 180.341 177.584 0.064 0.000 1.176 202 A CA 2.268 54.330 52.037 0.043 0.000 0.631 202 A CB -0.662 18.351 19.000 0.021 0.000 0.814 202 A HN 0.871 nan 8.150 nan 0.000 0.446 203 A N -1.040 121.820 122.820 0.067 0.000 2.119 203 A HA 0.103 4.423 4.320 0.001 0.000 0.217 203 A C 2.184 179.972 177.584 0.340 0.000 1.153 203 A CA 1.491 53.605 52.037 0.129 0.000 0.692 203 A CB -0.452 18.501 19.000 -0.079 0.000 0.799 203 A HN 0.402 nan 8.150 nan 0.000 0.458 204 S N -0.422 115.464 115.700 0.310 0.000 2.496 204 S HA 0.058 4.528 4.470 0.001 0.000 0.224 204 S C 0.904 175.556 174.600 0.086 0.000 0.996 204 S CA 0.472 58.801 58.200 0.215 0.000 0.927 204 S CB -0.520 62.779 63.200 0.166 0.000 0.774 204 S HN 0.668 nan 8.310 nan 0.000 0.524 205 V N 2.613 122.576 119.914 0.081 0.000 2.585 205 V HA 0.506 4.626 4.120 0.001 0.000 0.296 205 V C 0.035 176.152 176.094 0.038 0.000 1.035 205 V CA -0.464 61.863 62.300 0.046 0.000 1.084 205 V CB 0.363 32.210 31.823 0.040 0.000 0.953 205 V HN 0.304 nan 8.190 nan 0.000 0.483 206 T N 3.521 118.087 114.554 0.020 0.000 2.863 206 T HA 0.685 5.036 4.350 0.001 0.000 0.285 206 T C -2.672 172.034 174.700 0.011 0.000 1.009 206 T CA -1.949 60.160 62.100 0.014 0.000 0.989 206 T CB 1.680 70.547 68.868 -0.001 0.000 1.004 206 T HN 0.752 nan 8.240 nan 0.000 0.455 207 P HA 0.108 nan 4.420 nan 0.000 0.268 207 P C 0.809 178.125 177.300 0.026 0.000 1.205 207 P CA -0.638 62.473 63.100 0.018 0.000 0.771 207 P CB 0.702 32.410 31.700 0.014 0.000 0.858 208 L N 3.576 124.820 121.223 0.036 0.000 2.131 208 L HA -0.131 4.209 4.340 0.001 0.000 0.210 208 L C 2.207 179.096 176.870 0.032 0.000 1.092 208 L CA 2.131 56.998 54.840 0.045 0.000 0.759 208 L CB -1.579 40.517 42.059 0.062 0.000 0.903 208 L HN 0.488 nan 8.230 nan 0.000 0.435 209 A N -1.484 121.352 122.820 0.026 0.000 2.209 209 A HA -0.057 4.264 4.320 0.001 0.000 0.212 209 A C 1.062 178.652 177.584 0.010 0.000 1.158 209 A CA 0.196 52.242 52.037 0.016 0.000 0.742 209 A CB -0.614 18.395 19.000 0.014 0.000 0.790 209 A HN 0.525 nan 8.150 nan 0.000 0.472 210 E N 1.362 121.570 120.200 0.013 0.000 1.996 210 E HA 0.191 4.541 4.350 0.001 0.000 0.280 210 E C -0.774 175.833 176.600 0.012 0.000 1.092 210 E CA -0.115 56.291 56.400 0.011 0.000 0.862 210 E CB 0.338 30.045 29.700 0.011 0.000 1.066 210 E HN 0.249 nan 8.360 nan 0.000 0.396 211 Q N 3.541 123.347 119.800 0.010 0.000 3.064 211 Q HA 0.162 4.502 4.340 0.001 0.000 0.258 211 Q C -1.995 174.011 176.000 0.010 0.000 0.972 211 Q CA -1.711 54.099 55.803 0.011 0.000 0.761 211 Q CB 1.262 30.006 28.738 0.010 0.000 1.281 211 Q HN 0.437 nan 8.270 nan 0.000 0.455 212 P HA -0.133 nan 4.420 nan 0.000 0.219 212 P C 1.207 178.512 177.300 0.008 0.000 1.150 212 P CA 0.564 63.669 63.100 0.008 0.000 0.814 212 P CB 0.595 32.299 31.700 0.008 0.000 0.787 213 L N -0.662 120.565 121.223 0.007 0.000 2.062 213 L HA 0.037 4.378 4.340 0.001 0.000 0.202 213 L C 2.555 179.427 176.870 0.004 0.000 1.079 213 L CA 1.453 56.295 54.840 0.004 0.000 0.755 213 L CB -1.392 40.667 42.059 -0.001 0.000 0.913 213 L HN -0.246 nan 8.230 nan 0.000 0.445 214 L N -0.219 121.007 121.223 0.005 0.000 2.046 214 L HA -0.115 4.226 4.340 0.001 0.000 0.208 214 L C 2.474 179.362 176.870 0.029 0.000 1.077 214 L CA 1.351 56.199 54.840 0.013 0.000 0.747 214 L CB -1.394 40.675 42.059 0.016 0.000 0.896 214 L HN 0.509 nan 8.230 nan 0.000 0.432 215 G N -0.563 108.251 108.800 0.024 0.000 2.471 215 G HA2 -0.240 3.721 3.960 0.001 0.000 0.219 215 G HA3 -0.240 3.721 3.960 0.001 0.000 0.219 215 G C 1.758 176.674 174.900 0.027 0.000 1.125 215 G CA 0.496 45.613 45.100 0.028 0.000 0.775 215 G HN 0.282 nan 8.290 nan 0.000 0.548 216 R N -0.269 120.243 120.500 0.020 0.000 2.062 216 R HA 0.196 4.536 4.340 0.001 0.000 0.226 216 R C 2.377 178.687 176.300 0.017 0.000 1.125 216 R CA 0.539 56.648 56.100 0.016 0.000 0.966 216 R CB -0.300 30.006 30.300 0.010 0.000 0.861 216 R HN 0.347 nan 8.270 nan 0.000 0.433 217 L N 0.375 121.607 121.223 0.015 0.000 2.056 217 L HA 0.020 4.360 4.340 0.001 0.000 0.207 217 L C 0.656 177.542 176.870 0.026 0.000 1.078 217 L CA 0.987 55.832 54.840 0.009 0.000 0.749 217 L CB 0.097 42.151 42.059 -0.007 0.000 0.901 217 L HN 0.193 nan 8.230 nan 0.000 0.433 218 I N -0.988 119.614 120.570 0.054 0.000 2.641 218 I HA 0.174 4.345 4.170 0.001 0.000 0.275 218 I C -1.940 174.261 176.117 0.140 0.000 1.129 218 I CA -1.368 59.995 61.300 0.105 0.000 1.094 218 I CB 1.628 39.715 38.000 0.144 0.000 1.232 218 I HN -0.225 nan 8.210 nan 0.000 0.503 219 P HA -0.211 nan 4.420 nan 0.000 0.217 219 P C 1.593 178.969 177.300 0.125 0.000 1.148 219 P CA 1.329 64.483 63.100 0.090 0.000 0.828 219 P CB 0.106 31.843 31.700 0.063 0.000 0.783 220 W N 0.322 121.592 121.300 -0.050 0.000 2.313 220 W HA -0.249 4.411 4.660 0.001 0.000 0.293 220 W C 1.660 178.149 176.519 -0.050 0.000 1.216 220 W CA 1.165 58.470 57.345 -0.066 0.000 1.223 220 W CB -0.965 28.430 29.460 -0.107 0.000 1.138 220 W HN -0.276 nan 8.180 nan 0.000 0.535 221 V N 1.230 121.194 119.914 0.083 0.000 2.278 221 V HA -0.375 3.746 4.120 0.001 0.000 0.251 221 V C 2.161 178.103 176.094 -0.253 0.000 1.062 221 V CA 2.142 64.336 62.300 -0.177 0.000 1.038 221 V CB -0.785 31.061 31.823 0.039 0.000 0.646 221 V HN 0.224 nan 8.190 nan 0.000 0.447 222 I N -0.595 119.905 120.570 -0.117 0.000 2.512 222 I HA -0.022 4.149 4.170 0.001 0.000 0.247 222 I C 2.243 178.307 176.117 -0.088 0.000 1.094 222 I CA 1.034 62.286 61.300 -0.081 0.000 1.427 222 I CB -1.464 36.518 38.000 -0.030 0.000 1.149 222 I HN 0.277 nan 8.210 nan 0.000 0.438 223 D N 0.700 121.058 120.400 -0.069 0.000 2.133 223 D HA -0.236 4.405 4.640 0.001 0.000 0.195 223 D C 2.121 178.405 176.300 -0.025 0.000 0.997 223 D CA 1.553 55.535 54.000 -0.030 0.000 0.840 223 D CB -0.010 40.794 40.800 0.006 0.000 0.947 223 D HN 0.309 nan 8.370 nan 0.000 0.452 224 Q N 0.045 119.712 119.800 -0.221 0.000 2.159 224 Q HA 0.038 4.378 4.340 0.001 0.000 0.194 224 Q C 1.979 177.834 176.000 -0.242 0.000 0.968 224 Q CA 0.883 56.479 55.803 -0.346 0.000 0.837 224 Q CB -0.257 28.058 28.738 -0.705 0.000 0.920 224 Q HN 0.102 nan 8.270 nan 0.000 0.485 225 V N -0.012 119.630 119.914 -0.453 0.000 2.256 225 V HA -0.117 4.004 4.120 0.001 0.000 0.240 225 V C 2.319 178.547 176.094 0.224 0.000 1.036 225 V CA 1.526 63.795 62.300 -0.052 0.000 1.008 225 V CB -0.763 30.781 31.823 -0.466 0.000 0.648 225 V HN 0.233 nan 8.190 nan 0.000 0.453 226 V N 0.512 120.442 119.914 0.027 0.000 2.407 226 V HA -0.242 3.878 4.120 0.001 0.000 0.248 226 V C 2.189 178.361 176.094 0.131 0.000 1.055 226 V CA 2.164 64.519 62.300 0.091 0.000 1.049 226 V CB -0.728 31.101 31.823 0.011 0.000 0.662 226 V HN 0.537 nan 8.190 nan 0.000 0.455 227 D N -1.462 118.966 120.400 0.047 0.000 2.269 227 D HA -0.051 4.590 4.640 0.001 0.000 0.208 227 D C 1.022 177.201 176.300 -0.203 0.000 0.963 227 D CA 0.867 54.815 54.000 -0.088 0.000 0.864 227 D CB -0.163 40.524 40.800 -0.187 0.000 0.936 227 D HN 0.516 nan 8.370 nan 0.000 0.505 228 H N 0.182 119.359 119.070 0.178 0.000 2.486 228 H HA 0.151 4.708 4.556 0.001 0.000 0.239 228 H C -1.568 173.950 175.328 0.316 0.000 1.480 228 H CA -1.306 54.888 56.048 0.243 0.000 1.324 228 H CB 1.375 31.236 29.762 0.165 0.000 1.486 228 H HN 0.101 nan 8.280 nan 0.000 0.544 229 P HA -0.085 nan 4.420 nan 0.000 0.223 229 P C 0.093 177.356 177.300 -0.061 0.000 1.151 229 P CA 0.623 63.776 63.100 0.089 0.000 0.787 229 P CB 0.568 32.450 31.700 0.304 0.000 0.788 230 D N 0.628 121.090 120.400 0.104 0.000 2.264 230 D HA 0.038 4.678 4.640 0.001 0.000 0.249 230 D C 0.454 176.629 176.300 -0.207 0.000 1.070 230 D CA -0.290 53.707 54.000 -0.005 0.000 0.912 230 D CB 0.001 40.881 40.800 0.134 0.000 1.193 230 D HN -0.151 nan 8.370 nan 0.000 0.427 231 N N 1.946 120.226 118.700 -0.701 0.000 3.027 231 N HA -0.040 4.701 4.740 0.001 0.000 0.309 231 N C -0.695 174.677 175.510 -0.230 0.000 1.222 231 N CA -0.231 52.261 53.050 -0.929 0.000 1.187 231 N CB -0.344 37.406 38.487 -1.229 0.000 1.458 231 N HN 0.303 nan 8.380 nan 0.000 0.535 232 D N -0.922 119.511 120.400 0.055 0.000 2.507 232 D HA 0.034 4.675 4.640 0.001 0.000 0.280 232 D C 1.135 177.464 176.300 0.049 0.000 1.219 232 D CA -0.323 53.715 54.000 0.064 0.000 1.085 232 D CB 0.076 40.951 40.800 0.124 0.000 1.134 232 D HN 0.412 nan 8.370 nan 0.000 0.583 233 E N -0.654 119.552 120.200 0.009 0.000 2.204 233 E HA -0.190 4.160 4.350 0.001 0.000 0.194 233 E C 1.732 178.289 176.600 -0.071 0.000 0.989 233 E CA 1.309 57.700 56.400 -0.015 0.000 0.824 233 E CB -0.360 29.332 29.700 -0.014 0.000 0.756 233 E HN 0.372 nan 8.360 nan 0.000 0.477 234 S N 0.357 115.938 115.700 -0.199 0.000 2.370 234 S HA -0.198 4.272 4.470 0.001 0.000 0.226 234 S C 1.709 176.100 174.600 -0.348 0.000 1.033 234 S CA 0.973 58.930 58.200 -0.404 0.000 1.011 234 S CB -0.965 61.705 63.200 -0.882 0.000 0.852 234 S HN 0.586 nan 8.310 nan 0.000 0.457 235 W N 1.644 122.898 121.300 -0.077 0.000 2.453 235 W HA 0.184 4.844 4.660 0.000 0.000 0.289 235 W C 3.014 179.533 176.519 0.001 0.000 1.215 235 W CA 0.474 57.822 57.345 0.005 0.000 1.297 235 W CB -0.303 29.156 29.460 -0.002 0.000 1.113 235 W HN 0.345 nan 8.180 nan 0.000 0.551 236 Q N 0.190 120.090 119.800 0.168 0.000 2.124 236 Q HA -0.182 4.158 4.340 0.001 0.000 0.202 236 Q C 2.116 178.161 176.000 0.075 0.000 0.977 236 Q CA 1.835 57.697 55.803 0.097 0.000 0.850 236 Q CB -0.242 28.524 28.738 0.048 0.000 0.901 236 Q HN 0.109 nan 8.270 nan 0.000 0.429 237 S N 0.607 116.331 115.700 0.039 0.000 2.440 237 S HA -0.148 4.323 4.470 0.001 0.000 0.238 237 S C 1.722 176.356 174.600 0.057 0.000 1.010 237 S CA 1.365 59.581 58.200 0.026 0.000 0.972 237 S CB -0.247 62.945 63.200 -0.014 0.000 0.774 237 S HN 0.597 nan 8.310 nan 0.000 0.501 238 I N -2.167 118.461 120.570 0.096 0.000 4.082 238 I HA 0.346 4.516 4.170 0.001 0.000 0.337 238 I C 0.614 176.809 176.117 0.130 0.000 1.352 238 I CA -0.357 61.017 61.300 0.124 0.000 1.097 238 I CB 0.278 38.378 38.000 0.168 0.000 1.048 238 I HN -0.008 nan 8.210 nan 0.000 0.393 239 S N 1.547 117.330 115.700 0.140 0.000 2.548 239 S HA 0.362 4.832 4.470 0.001 0.000 0.277 239 S C 0.799 175.457 174.600 0.097 0.000 1.315 239 S CA -0.531 57.745 58.200 0.126 0.000 1.050 239 S CB 0.856 64.136 63.200 0.133 0.000 0.918 239 S HN 0.318 nan 8.310 nan 0.000 0.497 240 L N 5.158 126.433 121.223 0.088 0.000 2.590 240 L HA 0.239 4.579 4.340 0.001 0.000 0.227 240 L C 1.574 178.454 176.870 0.015 0.000 1.099 240 L CA 0.508 55.382 54.840 0.057 0.000 0.872 240 L CB -1.872 40.230 42.059 0.072 0.000 1.088 240 L HN 0.743 nan 8.230 nan 0.000 0.479 241 F N 2.139 122.030 119.950 -0.100 0.000 2.120 241 F HA -0.210 4.317 4.527 0.001 0.000 0.300 241 F C 2.392 178.130 175.800 -0.103 0.000 1.095 241 F CA 1.697 59.609 58.000 -0.147 0.000 1.249 241 F CB 0.269 39.194 39.000 -0.125 0.000 0.995 241 F HN 0.079 nan 8.300 nan 0.000 0.480 242 E N 0.112 120.305 120.200 -0.012 0.000 2.204 242 E HA -0.124 4.227 4.350 0.001 0.000 0.194 242 E C 2.266 178.793 176.600 -0.122 0.000 0.989 242 E CA 0.771 57.129 56.400 -0.070 0.000 0.824 242 E CB -0.343 29.372 29.700 0.026 0.000 0.756 242 E HN 0.489 nan 8.360 nan 0.000 0.477 243 R N 0.142 120.584 120.500 -0.096 0.000 2.236 243 R HA 0.113 4.453 4.340 0.001 0.000 0.208 243 R C 2.340 178.571 176.300 -0.115 0.000 1.036 243 R CA 0.142 56.197 56.100 -0.075 0.000 1.001 243 R CB -0.039 30.249 30.300 -0.019 0.000 0.896 243 R HN 0.149 nan 8.270 nan 0.000 0.464 244 L N -0.679 120.404 121.223 -0.234 0.000 2.083 244 L HA -0.075 4.265 4.340 0.001 0.000 0.209 244 L C 2.420 179.166 176.870 -0.207 0.000 1.083 244 L CA 1.401 56.088 54.840 -0.254 0.000 0.752 244 L CB -0.796 40.957 42.059 -0.509 0.000 0.899 244 L HN 0.337 nan 8.230 nan 0.000 0.433 245 G N -0.131 108.520 108.800 -0.248 0.000 2.448 245 G HA2 -0.185 3.775 3.960 0.001 0.000 0.219 245 G HA3 -0.185 3.775 3.960 0.001 0.000 0.219 245 G C 1.469 176.312 174.900 -0.094 0.000 1.127 245 G CA 0.732 45.731 45.100 -0.169 0.000 0.766 245 G HN 0.506 nan 8.290 nan 0.000 0.552 246 G N -0.301 108.453 108.800 -0.076 0.000 2.985 246 G HA2 0.341 4.301 3.960 0.001 0.000 0.209 246 G HA3 0.341 4.301 3.960 0.001 0.000 0.209 246 G C 0.638 175.525 174.900 -0.022 0.000 1.165 246 G CA -0.393 44.683 45.100 -0.041 0.000 0.776 246 G HN 0.357 nan 8.290 nan 0.000 0.541 247 L N 0.019 121.231 121.223 -0.017 0.000 2.439 247 L HA 0.570 4.910 4.340 0.001 0.000 0.259 247 L C 0.739 177.614 176.870 0.009 0.000 1.129 247 L CA -0.628 54.220 54.840 0.013 0.000 0.803 247 L CB 1.698 43.790 42.059 0.054 0.000 1.161 247 L HN 0.029 nan 8.230 nan 0.000 0.462 248 A N 0.587 123.415 122.820 0.014 0.000 2.795 248 A HA 0.366 4.686 4.320 0.001 0.000 0.282 248 A C -0.109 177.476 177.584 0.002 0.000 0.964 248 A CA -0.285 51.756 52.037 0.005 0.000 1.045 248 A CB 0.030 19.030 19.000 0.001 0.000 1.174 248 A HN 0.611 nan 8.150 nan 0.000 0.493 249 T N 3.057 117.624 114.554 0.022 0.000 2.749 249 T HA 0.475 4.825 4.350 0.001 0.000 0.287 249 T C -2.794 171.909 174.700 0.006 0.000 0.970 249 T CA -1.073 61.032 62.100 0.008 0.000 0.980 249 T CB 1.186 70.077 68.868 0.039 0.000 0.924 249 T HN 0.178 nan 8.240 nan 0.000 0.456 250 P HA 0.372 nan 4.420 nan 0.000 0.265 250 P C -1.232 176.202 177.300 0.224 0.000 1.193 250 P CA -0.262 62.806 63.100 -0.053 0.000 0.765 250 P CB 0.426 31.719 31.700 -0.678 0.000 0.823 251 A N 3.780 126.759 122.820 0.266 0.000 2.381 251 A HA 0.516 4.836 4.320 0.001 0.000 0.299 251 A C -1.116 176.362 177.584 -0.176 0.000 1.049 251 A CA -0.729 51.357 52.037 0.081 0.000 0.715 251 A CB 0.847 19.890 19.000 0.071 0.000 1.222 251 A HN 0.592 nan 8.150 nan 0.000 0.428 252 L N 4.190 125.046 121.223 -0.610 0.000 2.270 252 L HA 0.537 4.877 4.340 0.001 0.000 0.286 252 L C -1.207 175.462 176.870 -0.335 0.000 1.059 252 L CA -0.503 53.864 54.840 -0.789 0.000 0.839 252 L CB 0.082 41.266 42.059 -1.459 0.000 1.221 252 L HN 0.655 nan 8.230 nan 0.000 0.431 253 I N 4.052 124.548 120.570 -0.124 0.000 2.321 253 I HA 0.277 4.447 4.170 0.001 0.000 0.291 253 I C 0.060 176.158 176.117 -0.032 0.000 0.998 253 I CA -0.094 61.210 61.300 0.007 0.000 1.227 253 I CB 1.751 39.858 38.000 0.177 0.000 1.368 253 I HN 0.470 nan 8.210 nan 0.000 0.466 254 T N 5.401 119.966 114.554 0.019 0.000 2.855 254 T HA 0.822 5.172 4.350 0.001 0.000 0.281 254 T C -0.287 174.441 174.700 0.047 0.000 1.007 254 T CA -0.579 61.559 62.100 0.064 0.000 1.009 254 T CB 1.877 70.853 68.868 0.180 0.000 0.983 254 T HN 0.699 nan 8.240 nan 0.000 0.455 255 A N 1.338 124.160 122.820 0.003 0.000 2.569 255 A HA 0.966 5.286 4.320 0.001 0.000 0.290 255 A C -0.448 177.081 177.584 -0.091 0.000 1.136 255 A CA -0.800 51.198 52.037 -0.065 0.000 0.710 255 A CB 1.655 20.514 19.000 -0.235 0.000 1.303 255 A HN 1.063 nan 8.150 nan 0.000 0.413 256 G N -1.541 107.200 108.800 -0.098 0.000 2.617 256 G HA2 0.475 4.435 3.960 0.001 0.000 0.306 256 G HA3 0.475 4.435 3.960 0.001 0.000 0.306 256 G C -0.065 174.686 174.900 -0.249 0.000 1.360 256 G CA -0.535 44.460 45.100 -0.174 0.000 0.983 256 G HN 0.796 nan 8.290 nan 0.000 0.496 257 W N 0.534 121.681 121.300 -0.255 0.000 2.350 257 W HA -0.104 4.557 4.660 0.001 0.000 0.289 257 W C 0.946 177.163 176.519 -0.505 0.000 1.215 257 W CA 0.315 57.411 57.345 -0.414 0.000 1.236 257 W CB 0.003 29.107 29.460 -0.592 0.000 1.130 257 W HN 0.602 nan 8.180 nan 0.000 0.541 258 Y N -0.521 119.880 120.300 0.168 0.000 2.607 258 Y HA 0.176 4.727 4.550 0.001 0.000 0.266 258 Y C -0.020 175.945 175.900 0.107 0.000 1.178 258 Y CA -0.629 57.550 58.100 0.132 0.000 1.226 258 Y CB -0.394 38.144 38.460 0.130 0.000 1.144 258 Y HN -0.275 nan 8.280 nan 0.000 0.528 259 D N -0.549 119.968 120.400 0.196 0.000 2.264 259 D HA 0.246 4.886 4.640 0.001 0.000 0.250 259 D C 1.620 177.979 176.300 0.098 0.000 1.113 259 D CA 0.259 54.382 54.000 0.205 0.000 0.871 259 D CB 1.469 42.426 40.800 0.262 0.000 1.167 259 D HN 0.327 nan 8.370 nan 0.000 0.447 260 G N 2.527 111.316 108.800 -0.019 0.000 2.550 260 G HA2 -0.296 3.665 3.960 0.001 0.000 0.222 260 G HA3 -0.296 3.665 3.960 0.001 0.000 0.222 260 G C 1.050 175.766 174.900 -0.307 0.000 1.113 260 G CA 0.605 45.555 45.100 -0.249 0.000 0.748 260 G HN 0.584 nan 8.290 nan 0.000 0.585 261 F N -0.464 119.427 119.950 -0.097 0.000 2.765 261 F HA 0.253 4.781 4.527 0.001 0.000 0.302 261 F C 2.240 178.014 175.800 -0.043 0.000 1.111 261 F CA -0.206 57.745 58.000 -0.081 0.000 1.359 261 F CB 0.275 39.248 39.000 -0.044 0.000 1.097 261 F HN 0.026 nan 8.300 nan 0.000 0.577 262 V N 0.449 120.428 119.914 0.109 0.000 2.287 262 V HA -0.252 3.869 4.120 0.001 0.000 0.248 262 V C 2.430 178.549 176.094 0.043 0.000 1.053 262 V CA 2.592 64.920 62.300 0.047 0.000 1.027 262 V CB -0.888 30.955 31.823 0.034 0.000 0.646 262 V HN 0.417 nan 8.190 nan 0.000 0.447 263 G N -0.936 107.894 108.800 0.050 0.000 2.446 263 G HA2 -0.238 3.722 3.960 0.001 0.000 0.217 263 G HA3 -0.238 3.722 3.960 0.001 0.000 0.217 263 G C 1.478 176.399 174.900 0.035 0.000 1.168 263 G CA 0.907 46.039 45.100 0.053 0.000 0.771 263 G HN 0.548 nan 8.290 nan 0.000 0.551 264 E N 0.843 121.055 120.200 0.020 0.000 2.158 264 E HA -0.008 4.342 4.350 0.001 0.000 0.191 264 E C 2.953 179.596 176.600 0.071 0.000 0.982 264 E CA 0.717 57.121 56.400 0.006 0.000 0.823 264 E CB -0.328 29.374 29.700 0.004 0.000 0.766 264 E HN 0.342 nan 8.360 nan 0.000 0.468 265 S N 1.456 117.223 115.700 0.111 0.000 2.353 265 S HA -0.123 4.348 4.470 0.001 0.000 0.222 265 S C 2.184 176.842 174.600 0.097 0.000 1.035 265 S CA 0.951 59.222 58.200 0.119 0.000 1.025 265 S CB -0.378 62.867 63.200 0.075 0.000 0.902 265 S HN 0.184 nan 8.310 nan 0.000 0.440 266 L N 0.912 122.144 121.223 0.016 0.000 2.042 266 L HA -0.144 4.196 4.340 0.001 0.000 0.210 266 L C 2.710 179.718 176.870 0.230 0.000 1.076 266 L CA 1.353 56.192 54.840 -0.002 0.000 0.749 266 L CB -0.461 41.548 42.059 -0.084 0.000 0.893 266 L HN 0.229 nan 8.230 nan 0.000 0.432 267 R N -0.500 120.122 120.500 0.204 0.000 2.152 267 R HA -0.133 4.208 4.340 0.001 0.000 0.232 267 R C 2.409 178.928 176.300 0.364 0.000 1.117 267 R CA 1.772 58.026 56.100 0.257 0.000 0.981 267 R CB -0.492 29.839 30.300 0.052 0.000 0.870 267 R HN 0.563 nan 8.270 nan 0.000 0.451 268 T N -1.547 113.155 114.554 0.247 0.000 2.857 268 T HA -0.138 4.213 4.350 0.001 0.000 0.266 268 T C 1.668 176.466 174.700 0.165 0.000 1.048 268 T CA 0.729 62.875 62.100 0.075 0.000 1.139 268 T CB -0.376 68.378 68.868 -0.190 0.000 0.874 268 T HN 0.203 nan 8.240 nan 0.000 0.455 269 F N 2.372 122.407 119.950 0.141 0.000 2.102 269 F HA -0.036 4.491 4.527 0.001 0.000 0.298 269 F C 2.224 178.124 175.800 0.166 0.000 1.105 269 F CA 1.099 59.190 58.000 0.153 0.000 1.239 269 F CB -0.486 38.580 39.000 0.110 0.000 0.991 269 F HN 0.000 nan 8.300 nan 0.000 0.474 270 V N 0.534 120.628 119.914 0.301 0.000 2.407 270 V HA -0.292 3.828 4.120 0.001 0.000 0.248 270 V C 2.686 178.790 176.094 0.017 0.000 1.055 270 V CA 1.725 64.137 62.300 0.187 0.000 1.049 270 V CB -1.564 30.456 31.823 0.328 0.000 0.662 270 V HN 0.500 nan 8.190 nan 0.000 0.455 271 A N 0.142 122.963 122.820 0.002 0.000 2.014 271 A HA -0.043 4.278 4.320 0.001 0.000 0.218 271 A C 2.193 179.678 177.584 -0.165 0.000 1.163 271 A CA 1.837 53.782 52.037 -0.153 0.000 0.652 271 A CB -0.294 18.447 19.000 -0.431 0.000 0.808 271 A HN 0.674 nan 8.150 nan 0.000 0.449 272 V N -2.283 117.550 119.914 -0.136 0.000 3.621 272 V HA 0.051 4.172 4.120 0.001 0.000 0.263 272 V C 1.846 177.855 176.094 -0.143 0.000 1.272 272 V CA 0.997 63.243 62.300 -0.091 0.000 1.080 272 V CB -0.472 31.381 31.823 0.050 0.000 0.816 272 V HN 0.617 nan 8.190 nan 0.000 0.451 273 K N 0.671 120.897 120.400 -0.290 0.000 2.209 273 K HA -0.166 4.155 4.320 0.001 0.000 0.204 273 K C 1.291 177.798 176.600 -0.156 0.000 1.048 273 K CA 2.029 58.100 56.287 -0.361 0.000 0.940 273 K CB -0.457 31.626 32.500 -0.696 0.000 0.729 273 K HN 0.409 nan 8.250 nan 0.000 0.451 274 D N 0.836 121.173 120.400 -0.106 0.000 2.323 274 D HA -0.029 4.611 4.640 0.001 0.000 0.209 274 D C 1.005 177.285 176.300 -0.034 0.000 0.973 274 D CA 0.603 54.572 54.000 -0.052 0.000 0.874 274 D CB 0.070 40.848 40.800 -0.038 0.000 0.930 274 D HN 0.372 nan 8.370 nan 0.000 0.521 275 N N -0.122 118.554 118.700 -0.039 0.000 2.250 275 N HA 0.228 4.968 4.740 0.001 0.000 0.190 275 N C 0.394 175.898 175.510 -0.011 0.000 1.116 275 N CA 0.120 53.157 53.050 -0.021 0.000 0.881 275 N CB 1.812 40.284 38.487 -0.025 0.000 1.006 275 N HN 0.002 nan 8.380 nan 0.000 0.491 276 A N 0.386 123.198 122.820 -0.012 0.000 2.599 276 A HA 0.302 4.622 4.320 0.001 0.000 0.290 276 A C -1.724 175.871 177.584 0.019 0.000 1.101 276 A CA -0.650 51.386 52.037 -0.002 0.000 0.674 276 A CB 1.008 20.001 19.000 -0.011 0.000 1.277 276 A HN -0.026 nan 8.150 nan 0.000 0.419 277 D N 1.011 121.438 120.400 0.045 0.000 2.367 277 D HA 0.469 5.109 4.640 0.001 0.000 0.255 277 D C 0.264 176.679 176.300 0.192 0.000 1.300 277 D CA 0.945 55.031 54.000 0.142 0.000 0.959 277 D CB 0.252 41.209 40.800 0.262 0.000 1.064 277 D HN 0.806 nan 8.370 nan 0.000 0.509 278 A N 4.830 127.730 122.820 0.133 0.000 2.312 278 A HA 0.774 5.094 4.320 0.001 0.000 0.326 278 A C -0.025 177.779 177.584 0.366 0.000 1.172 278 A CA -0.802 51.333 52.037 0.164 0.000 0.821 278 A CB 0.968 19.892 19.000 -0.128 0.000 1.166 278 A HN 0.519 nan 8.150 nan 0.000 0.493 279 R N 0.534 121.227 120.500 0.321 0.000 2.807 279 R HA 0.674 5.014 4.340 0.001 0.000 0.276 279 R C -1.877 174.478 176.300 0.093 0.000 0.979 279 R CA -0.804 55.423 56.100 0.211 0.000 0.928 279 R CB 1.778 32.041 30.300 -0.062 0.000 1.191 279 R HN 0.609 nan 8.270 nan 0.000 0.471 280 L N 1.072 122.206 121.223 -0.147 0.000 2.410 280 L HA 0.546 4.886 4.340 0.001 0.000 0.270 280 L C -1.462 175.271 176.870 -0.228 0.000 0.983 280 L CA -0.661 53.965 54.840 -0.356 0.000 0.822 280 L CB 2.327 43.815 42.059 -0.953 0.000 1.285 280 L HN 0.337 nan 8.230 nan 0.000 0.409 281 V N 5.268 125.085 119.914 -0.163 0.000 2.531 281 V HA 0.684 4.804 4.120 0.001 0.000 0.301 281 V C -0.932 175.114 176.094 -0.079 0.000 1.034 281 V CA -0.632 61.642 62.300 -0.045 0.000 0.865 281 V CB 2.068 33.910 31.823 0.032 0.000 0.995 281 V HN 0.503 nan 8.190 nan 0.000 0.424 282 V N 3.722 123.550 119.914 -0.143 0.000 2.482 282 V HA 0.803 4.924 4.120 0.001 0.000 0.295 282 V C 0.533 176.192 176.094 -0.725 0.000 1.026 282 V CA -0.235 61.717 62.300 -0.581 0.000 0.856 282 V CB 1.531 32.619 31.823 -1.226 0.000 1.001 282 V HN 0.939 nan 8.190 nan 0.000 0.424 283 G N 4.062 112.139 108.800 -1.206 0.000 2.601 283 G HA2 0.698 4.658 3.960 0.001 0.000 0.317 283 G HA3 0.698 4.658 3.960 0.001 0.000 0.317 283 G C -2.429 171.435 174.900 -1.727 0.000 1.246 283 G CA -1.605 42.272 45.100 -2.039 0.000 1.012 283 G HN 0.513 nan 8.290 nan 0.000 0.494 284 P HA 0.159 nan 4.420 nan 0.000 0.236 284 P C -0.639 176.462 177.300 -0.332 0.000 1.709 284 P CA -0.290 62.353 63.100 -0.761 0.000 0.942 284 P CB 0.003 30.915 31.700 -1.312 0.000 1.615 285 W N 0.947 122.258 121.300 0.017 0.000 2.375 285 W HA 0.386 5.046 4.660 0.000 0.000 0.336 285 W C 0.985 177.602 176.519 0.162 0.000 1.160 285 W CA -0.497 56.895 57.345 0.079 0.000 1.266 285 W CB 0.569 30.044 29.460 0.024 0.000 1.195 285 W HN -0.014 nan 8.180 nan 0.000 0.599 286 S N -0.637 115.285 115.700 0.370 0.000 2.745 286 S HA 0.160 4.630 4.470 0.001 0.000 0.292 286 S C 0.694 175.425 174.600 0.218 0.000 1.133 286 S CA -0.180 58.186 58.200 0.277 0.000 0.998 286 S CB 1.509 64.821 63.200 0.187 0.000 1.087 286 S HN 0.508 nan 8.310 nan 0.000 0.551 287 H N 0.945 120.052 119.070 0.063 0.000 2.387 287 H HA -0.009 4.548 4.556 0.001 0.000 0.299 287 H C 1.857 177.167 175.328 -0.029 0.000 1.090 287 H CA 2.318 58.377 56.048 0.019 0.000 1.332 287 H CB -0.047 29.698 29.762 -0.027 0.000 1.386 287 H HN 0.687 nan 8.280 nan 0.000 0.516 288 S N -1.635 114.080 115.700 0.025 0.000 2.559 288 S HA 0.101 4.571 4.470 0.001 0.000 0.226 288 S C 0.296 174.883 174.600 -0.023 0.000 1.000 288 S CA -0.464 57.716 58.200 -0.033 0.000 0.948 288 S CB 0.250 63.437 63.200 -0.023 0.000 0.870 288 S HN 0.272 nan 8.310 nan 0.000 0.497 289 N N 1.197 119.907 118.700 0.017 0.000 2.617 289 N HA 0.410 5.151 4.740 0.001 0.000 0.263 289 N C -0.825 174.740 175.510 0.091 0.000 1.074 289 N CA -0.516 52.559 53.050 0.040 0.000 0.841 289 N CB 0.944 39.465 38.487 0.056 0.000 1.221 289 N HN 0.128 nan 8.380 nan 0.000 0.529 290 L N 2.146 123.355 121.223 -0.022 0.000 2.872 290 L HA 0.249 4.589 4.340 0.001 0.000 0.245 290 L C 1.967 178.834 176.870 -0.004 0.000 1.211 290 L CA 0.118 54.868 54.840 -0.151 0.000 1.013 290 L CB 0.216 41.942 42.059 -0.555 0.000 1.326 290 L HN 0.599 nan 8.230 nan 0.000 0.525 291 T N -4.413 110.202 114.554 0.102 0.000 3.043 291 T HA 0.152 4.502 4.350 0.001 0.000 0.263 291 T C 1.742 176.560 174.700 0.197 0.000 1.094 291 T CA 0.735 62.903 62.100 0.114 0.000 1.127 291 T CB 0.042 68.949 68.868 0.065 0.000 0.905 291 T HN 0.387 nan 8.240 nan 0.000 0.490 292 G N 1.649 110.628 108.800 0.298 0.000 2.179 292 G HA2 -0.259 3.701 3.960 0.001 0.000 0.260 292 G HA3 -0.259 3.701 3.960 0.001 0.000 0.260 292 G C 0.146 175.178 174.900 0.220 0.000 0.977 292 G CA 0.043 45.339 45.100 0.327 0.000 0.641 292 G HN 0.707 nan 8.290 nan 0.000 0.533 293 R N 0.712 121.281 120.500 0.114 0.000 2.338 293 R HA 0.583 4.923 4.340 0.001 0.000 0.317 293 R C -0.320 175.965 176.300 -0.025 0.000 0.968 293 R CA -0.613 55.492 56.100 0.009 0.000 0.849 293 R CB 0.935 31.239 30.300 0.005 0.000 1.128 293 R HN 0.263 nan 8.270 nan 0.000 0.448 294 N N 0.434 119.069 118.700 -0.109 0.000 2.509 294 N HA 0.225 4.966 4.740 0.001 0.000 0.280 294 N C 0.389 175.815 175.510 -0.139 0.000 1.306 294 N CA -0.416 52.561 53.050 -0.122 0.000 0.782 294 N CB 1.841 40.228 38.487 -0.167 0.000 1.493 294 N HN 0.476 nan 8.380 nan 0.000 0.498 295 A N 0.177 122.921 122.820 -0.126 0.000 1.917 295 A HA -0.164 4.156 4.320 0.001 0.000 0.219 295 A C 0.754 178.256 177.584 -0.137 0.000 1.182 295 A CA 1.769 53.737 52.037 -0.114 0.000 0.633 295 A CB -0.155 18.783 19.000 -0.103 0.000 0.819 295 A HN 0.676 nan 8.150 nan 0.000 0.448 296 D N -2.616 117.676 120.400 -0.179 0.000 2.540 296 D HA 0.244 4.884 4.640 0.001 0.000 0.229 296 D C -0.138 175.985 176.300 -0.296 0.000 1.250 296 D CA 0.016 53.888 54.000 -0.212 0.000 0.817 296 D CB 0.604 41.282 40.800 -0.203 0.000 1.060 296 D HN 0.253 nan 8.370 nan 0.000 0.508 297 R N 0.970 121.276 120.500 -0.324 0.000 2.518 297 R HA 0.300 4.640 4.340 0.001 0.000 0.287 297 R C -1.722 174.258 176.300 -0.534 0.000 1.135 297 R CA -0.418 55.406 56.100 -0.460 0.000 0.967 297 R CB 0.990 30.968 30.300 -0.537 0.000 1.212 297 R HN -0.333 nan 8.270 nan 0.000 0.422 298 K N 3.691 123.823 120.400 -0.447 0.000 2.244 298 K HA 0.411 4.731 4.320 0.001 0.000 0.260 298 K C -0.406 175.998 176.600 -0.328 0.000 0.951 298 K CA -0.302 55.786 56.287 -0.331 0.000 0.826 298 K CB 0.824 33.244 32.500 -0.133 0.000 1.108 298 K HN 0.434 nan 8.250 nan 0.000 0.433 299 F N 0.963 120.943 119.950 0.049 0.000 2.749 299 F HA 0.319 4.846 4.527 0.001 0.000 0.300 299 F C 1.037 176.923 175.800 0.143 0.000 1.103 299 F CA 0.131 58.191 58.000 0.101 0.000 1.342 299 F CB 0.290 39.257 39.000 -0.054 0.000 1.098 299 F HN 0.734 nan 8.300 nan 0.000 0.586 300 G N 0.740 109.669 108.800 0.215 0.000 2.662 300 G HA2 -0.227 3.733 3.960 0.001 0.000 0.686 300 G HA3 -0.227 3.733 3.960 0.001 0.000 0.686 300 G C 0.522 175.528 174.900 0.177 0.000 1.271 300 G CA -0.327 44.885 45.100 0.187 0.000 0.816 300 G HN 0.253 nan 8.290 nan 0.000 0.608 301 I N 0.894 121.553 120.570 0.149 0.000 2.454 301 I HA 0.006 4.177 4.170 0.001 0.000 0.254 301 I C 2.680 178.907 176.117 0.184 0.000 1.156 301 I CA 2.330 63.712 61.300 0.138 0.000 1.433 301 I CB -0.181 37.879 38.000 0.099 0.000 1.082 301 I HN 0.932 nan 8.210 nan 0.000 0.432 302 A N 0.461 123.426 122.820 0.241 0.000 2.015 302 A HA -0.060 4.260 4.320 0.001 0.000 0.219 302 A C 2.349 180.220 177.584 0.479 0.000 1.163 302 A CA 1.424 53.677 52.037 0.360 0.000 0.646 302 A CB -0.688 18.571 19.000 0.431 0.000 0.806 302 A HN 0.540 nan 8.150 nan 0.000 0.448 303 A N -0.889 122.072 122.820 0.236 0.000 2.123 303 A HA 0.199 4.520 4.320 0.001 0.000 0.214 303 A C 1.246 179.020 177.584 0.316 0.000 1.152 303 A CA 0.859 52.843 52.037 -0.090 0.000 0.728 303 A CB -0.751 17.871 19.000 -0.630 0.000 0.814 303 A HN 0.315 nan 8.150 nan 0.000 0.464 304 T N 0.633 115.369 114.554 0.304 0.000 2.908 304 T HA 0.073 4.423 4.350 0.001 0.000 0.301 304 T C -0.034 174.847 174.700 0.303 0.000 1.019 304 T CA 0.105 62.374 62.100 0.281 0.000 1.152 304 T CB -0.232 68.728 68.868 0.153 0.000 0.966 304 T HN 0.298 nan 8.240 nan 0.000 0.540 305 Y N 7.023 127.322 120.300 -0.002 0.000 2.863 305 Y HA 0.040 4.590 4.550 0.001 0.000 0.359 305 Y C -1.670 174.166 175.900 -0.106 0.000 1.312 305 Y CA -1.980 55.931 58.100 -0.316 0.000 1.650 305 Y CB 0.226 38.219 38.460 -0.777 0.000 1.201 305 Y HN 0.383 nan 8.280 nan 0.000 0.531 306 P HA 0.070 nan 4.420 nan 0.000 0.238 306 P C 0.939 177.926 177.300 -0.523 0.000 1.794 306 P CA 0.207 63.083 63.100 -0.374 0.000 1.088 306 P CB 0.115 31.631 31.700 -0.307 0.000 1.923 307 I N 1.421 121.771 120.570 -0.367 0.000 2.264 307 I HA -0.318 3.852 4.170 0.001 0.000 0.248 307 I C 2.172 178.182 176.117 -0.178 0.000 1.111 307 I CA 1.712 62.884 61.300 -0.213 0.000 1.382 307 I CB 0.158 38.156 38.000 -0.003 0.000 1.060 307 I HN 0.117 nan 8.210 nan 0.000 0.418 308 Q N 1.149 120.852 119.800 -0.161 0.000 2.049 308 Q HA -0.229 4.111 4.340 0.001 0.000 0.198 308 Q C 1.960 177.887 176.000 -0.121 0.000 0.971 308 Q CA 1.944 57.669 55.803 -0.131 0.000 0.833 308 Q CB -0.204 28.469 28.738 -0.108 0.000 0.896 308 Q HN 0.545 nan 8.270 nan 0.000 0.434 309 E N -0.370 119.738 120.200 -0.152 0.000 2.085 309 E HA -0.217 4.133 4.350 0.001 0.000 0.194 309 E C 1.836 178.360 176.600 -0.127 0.000 0.994 309 E CA 1.115 57.425 56.400 -0.151 0.000 0.801 309 E CB -0.251 29.320 29.700 -0.214 0.000 0.743 309 E HN 0.473 nan 8.360 nan 0.000 0.453 310 A N 0.697 123.415 122.820 -0.170 0.000 1.908 310 A HA -0.221 4.100 4.320 0.001 0.000 0.218 310 A C 2.376 180.029 177.584 0.116 0.000 1.181 310 A CA 2.066 54.081 52.037 -0.037 0.000 0.627 310 A CB -0.972 17.958 19.000 -0.118 0.000 0.818 310 A HN 0.216 nan 8.150 nan 0.000 0.445 311 T N -0.155 114.399 114.554 -0.000 0.000 2.684 311 T HA -0.139 4.211 4.350 0.001 0.000 0.267 311 T C 2.009 176.814 174.700 0.175 0.000 1.036 311 T CA 2.012 64.135 62.100 0.038 0.000 1.148 311 T CB -0.651 68.136 68.868 -0.136 0.000 0.863 311 T HN 0.571 nan 8.240 nan 0.000 0.436 312 T N 2.074 116.673 114.554 0.075 0.000 2.746 312 T HA -0.023 4.328 4.350 0.001 0.000 0.267 312 T C 1.952 176.700 174.700 0.079 0.000 1.039 312 T CA 1.164 63.309 62.100 0.075 0.000 1.142 312 T CB -0.334 68.542 68.868 0.014 0.000 0.866 312 T HN 0.294 nan 8.240 nan 0.000 0.444 313 M N 0.056 119.686 119.600 0.051 0.000 2.086 313 M HA -0.161 4.319 4.480 0.001 0.000 0.261 313 M C 2.199 178.482 176.300 -0.028 0.000 1.067 313 M CA 1.798 57.099 55.300 0.001 0.000 1.116 313 M CB -0.199 32.366 32.600 -0.058 0.000 1.348 313 M HN 0.282 nan 8.290 nan 0.000 0.407 314 H N 0.013 119.024 119.070 -0.098 0.000 2.352 314 H HA -0.162 4.394 4.556 0.001 0.000 0.299 314 H C 2.075 177.203 175.328 -0.334 0.000 1.097 314 H CA 2.140 58.010 56.048 -0.297 0.000 1.311 314 H CB -0.194 29.496 29.762 -0.121 0.000 1.377 314 H HN 0.343 nan 8.280 nan 0.000 0.504 315 K N 0.313 120.765 120.400 0.087 0.000 2.026 315 K HA -0.138 4.182 4.320 0.001 0.000 0.208 315 K C 2.334 178.987 176.600 0.089 0.000 1.048 315 K CA 1.068 57.406 56.287 0.084 0.000 0.929 315 K CB -0.157 32.507 32.500 0.272 0.000 0.713 315 K HN 0.279 nan 8.250 nan 0.000 0.439 316 A N 0.912 123.775 122.820 0.072 0.000 1.883 316 A HA -0.198 4.122 4.320 0.001 0.000 0.217 316 A C 2.014 179.623 177.584 0.042 0.000 1.186 316 A CA 1.534 53.605 52.037 0.057 0.000 0.624 316 A CB -0.899 18.127 19.000 0.043 0.000 0.822 316 A HN 0.510 nan 8.150 nan 0.000 0.444 317 F N -0.315 119.532 119.950 -0.170 0.000 2.095 317 F HA -0.169 4.359 4.527 0.001 0.000 0.298 317 F C 1.874 177.626 175.800 -0.078 0.000 1.104 317 F CA 1.792 59.675 58.000 -0.194 0.000 1.232 317 F CB -0.375 38.369 39.000 -0.427 0.000 0.987 317 F HN 0.217 nan 8.300 nan 0.000 0.475 318 F N 0.670 120.636 119.950 0.027 0.000 2.259 318 F HA -0.107 4.421 4.527 0.000 0.000 0.298 318 F C 2.293 178.122 175.800 0.048 0.000 1.088 318 F CA 1.068 59.038 58.000 -0.051 0.000 1.358 318 F CB -1.249 37.606 39.000 -0.241 0.000 1.040 318 F HN -0.026 nan 8.300 nan 0.000 0.505 319 D N -0.136 120.403 120.400 0.232 0.000 2.117 319 D HA -0.164 4.476 4.640 0.001 0.000 0.197 319 D C 2.358 178.656 176.300 -0.003 0.000 0.987 319 D CA 0.997 55.091 54.000 0.157 0.000 0.829 319 D CB -0.268 40.605 40.800 0.123 0.000 0.961 319 D HN 0.038 nan 8.370 nan 0.000 0.460 320 R N 0.261 120.677 120.500 -0.139 0.000 2.080 320 R HA -0.120 4.220 4.340 0.001 0.000 0.236 320 R C 1.940 177.997 176.300 -0.406 0.000 1.137 320 R CA 1.658 57.547 56.100 -0.351 0.000 0.943 320 R CB -0.496 29.440 30.300 -0.606 0.000 0.846 320 R HN 0.330 nan 8.270 nan 0.000 0.431 321 H N -1.524 117.457 119.070 -0.147 0.000 2.582 321 H HA 0.172 4.729 4.556 0.001 0.000 0.269 321 H C 1.188 176.493 175.328 -0.039 0.000 0.962 321 H CA 0.818 56.777 56.048 -0.148 0.000 1.230 321 H CB 0.568 30.136 29.762 -0.324 0.000 1.445 321 H HN 0.146 nan 8.280 nan 0.000 0.528 322 L N -0.333 120.963 121.223 0.122 0.000 2.575 322 L HA 0.163 4.503 4.340 0.001 0.000 0.228 322 L C 1.829 178.731 176.870 0.054 0.000 1.075 322 L CA 0.775 55.683 54.840 0.113 0.000 0.867 322 L CB 0.345 42.522 42.059 0.195 0.000 1.097 322 L HN -0.046 nan 8.230 nan 0.000 0.485 323 R N -0.704 119.818 120.500 0.038 0.000 2.472 323 R HA 0.343 4.683 4.340 0.001 0.000 0.279 323 R C 1.009 177.296 176.300 -0.022 0.000 0.953 323 R CA 0.567 56.661 56.100 -0.011 0.000 1.088 323 R CB 0.543 30.829 30.300 -0.023 0.000 1.197 323 R HN 0.249 nan 8.270 nan 0.000 0.536 324 G N 2.111 110.894 108.800 -0.028 0.000 2.187 324 G HA2 -0.324 3.636 3.960 0.001 0.000 0.261 324 G HA3 -0.324 3.636 3.960 0.001 0.000 0.261 324 G C -0.154 174.717 174.900 -0.049 0.000 1.000 324 G CA 0.231 45.308 45.100 -0.039 0.000 0.718 324 G HN 0.431 nan 8.290 nan 0.000 0.519 325 E N 1.217 121.384 120.200 -0.055 0.000 1.791 325 E HA 0.270 4.621 4.350 0.001 0.000 0.263 325 E C 1.905 178.462 176.600 -0.072 0.000 1.213 325 E CA 0.309 56.681 56.400 -0.048 0.000 0.991 325 E CB 0.045 29.729 29.700 -0.027 0.000 1.068 325 E HN 0.540 nan 8.360 nan 0.000 0.417 326 T N -0.358 114.160 114.554 -0.060 0.000 2.822 326 T HA -0.193 4.157 4.350 0.001 0.000 0.270 326 T C 0.978 175.646 174.700 -0.054 0.000 1.064 326 T CA 1.001 63.063 62.100 -0.064 0.000 1.131 326 T CB 0.104 68.950 68.868 -0.037 0.000 0.858 326 T HN 0.233 nan 8.240 nan 0.000 0.483 327 D N 0.682 121.060 120.400 -0.037 0.000 2.363 327 D HA 0.433 5.074 4.640 0.001 0.000 0.214 327 D C 2.045 178.332 176.300 -0.021 0.000 1.093 327 D CA 0.434 54.420 54.000 -0.023 0.000 0.837 327 D CB 0.202 40.995 40.800 -0.011 0.000 0.948 327 D HN 0.511 nan 8.370 nan 0.000 0.507 328 A N 0.406 123.204 122.820 -0.036 0.000 1.978 328 A HA -0.103 4.218 4.320 0.001 0.000 0.220 328 A C 1.911 179.489 177.584 -0.010 0.000 1.170 328 A CA 0.852 52.876 52.037 -0.022 0.000 0.636 328 A CB -0.329 18.651 19.000 -0.033 0.000 0.810 328 A HN 0.251 nan 8.150 nan 0.000 0.448 329 L N -0.174 121.039 121.223 -0.017 0.000 2.685 329 L HA 0.262 4.603 4.340 0.001 0.000 0.233 329 L C 1.028 177.909 176.870 0.019 0.000 1.173 329 L CA -0.379 54.469 54.840 0.013 0.000 0.961 329 L CB -0.179 41.901 42.059 0.035 0.000 1.217 329 L HN 0.352 nan 8.230 nan 0.000 0.478 330 A N 0.078 122.904 122.820 0.010 0.000 2.546 330 A HA 0.361 4.681 4.320 0.001 0.000 0.243 330 A C 1.530 179.124 177.584 0.017 0.000 1.063 330 A CA 0.758 52.803 52.037 0.014 0.000 0.757 330 A CB -0.231 18.775 19.000 0.009 0.000 0.991 330 A HN 0.637 nan 8.150 nan 0.000 0.503 331 G N 1.111 109.923 108.800 0.021 0.000 2.189 331 G HA2 -0.194 3.766 3.960 0.001 0.000 0.267 331 G HA3 -0.194 3.766 3.960 0.001 0.000 0.267 331 G C 0.238 175.149 174.900 0.019 0.000 0.975 331 G CA 0.340 45.451 45.100 0.019 0.000 0.644 331 G HN 1.469 nan 8.290 nan 0.000 0.537 332 V N 3.226 123.155 119.914 0.024 0.000 2.461 332 V HA 0.454 4.574 4.120 0.001 0.000 0.275 332 V C -0.739 175.378 176.094 0.038 0.000 1.047 332 V CA -1.255 61.058 62.300 0.022 0.000 0.955 332 V CB 1.266 33.105 31.823 0.026 0.000 0.988 332 V HN 0.297 nan 8.190 nan 0.000 0.471 333 P HA 0.215 nan 4.420 nan 0.000 0.272 333 P C 0.268 177.610 177.300 0.069 0.000 1.230 333 P CA -0.496 62.634 63.100 0.051 0.000 0.788 333 P CB 1.437 33.163 31.700 0.044 0.000 0.949 334 K N 0.718 121.180 120.400 0.103 0.000 2.057 334 K HA 0.034 4.354 4.320 0.001 0.000 0.206 334 K C 0.287 176.954 176.600 0.112 0.000 1.050 334 K CA 1.253 57.633 56.287 0.157 0.000 0.935 334 K CB -0.197 32.430 32.500 0.212 0.000 0.715 334 K HN 0.314 nan 8.250 nan 0.000 0.439 335 V N 0.443 120.398 119.914 0.067 0.000 2.638 335 V HA 0.429 4.549 4.120 0.001 0.000 0.306 335 V C -1.177 174.940 176.094 0.038 0.000 1.052 335 V CA -0.980 61.313 62.300 -0.011 0.000 0.885 335 V CB 1.842 33.679 31.823 0.024 0.000 0.999 335 V HN 0.106 nan 8.190 nan 0.000 0.424 336 R N 4.475 124.993 120.500 0.030 0.000 2.483 336 R HA 0.762 5.102 4.340 0.001 0.000 0.303 336 R C -1.889 174.563 176.300 0.252 0.000 0.987 336 R CA -0.425 55.755 56.100 0.133 0.000 0.881 336 R CB 1.174 31.511 30.300 0.061 0.000 1.177 336 R HN 0.733 nan 8.270 nan 0.000 0.451 337 L N 4.409 125.818 121.223 0.310 0.000 2.362 337 L HA 0.525 4.865 4.340 0.001 0.000 0.271 337 L C -0.669 176.300 176.870 0.165 0.000 1.002 337 L CA -1.066 53.928 54.840 0.257 0.000 0.818 337 L CB 1.822 44.048 42.059 0.279 0.000 1.298 337 L HN 0.540 nan 8.230 nan 0.000 0.420 338 F N 3.110 122.815 119.950 -0.408 0.000 2.413 338 F HA 0.360 4.888 4.527 0.000 0.000 0.359 338 F C -0.062 175.583 175.800 -0.258 0.000 1.122 338 F CA -0.431 57.084 58.000 -0.808 0.000 1.160 338 F CB 0.889 38.971 39.000 -1.529 0.000 1.146 338 F HN 0.049 nan 8.300 nan 0.000 0.514 339 V N 8.331 127.857 119.914 -0.647 0.000 2.389 339 V HA 0.154 4.274 4.120 0.001 0.000 0.264 339 V C 0.548 176.267 176.094 -0.625 0.000 1.049 339 V CA -0.445 61.579 62.300 -0.461 0.000 0.932 339 V CB 0.572 32.203 31.823 -0.320 0.000 1.011 339 V HN 0.765 nan 8.190 nan 0.000 0.475 340 M N 3.373 122.736 119.600 -0.395 0.000 2.202 340 M HA 0.524 5.004 4.480 0.001 0.000 0.316 340 M C 1.523 177.705 176.300 -0.196 0.000 1.138 340 M CA 1.077 56.264 55.300 -0.188 0.000 1.151 340 M CB 0.755 33.323 32.600 -0.054 0.000 1.422 340 M HN 0.864 nan 8.290 nan 0.000 0.471 341 G N 1.142 109.907 108.800 -0.059 0.000 4.890 341 G HA2 -0.305 3.655 3.960 0.001 0.000 0.221 341 G HA3 -0.305 3.655 3.960 0.001 0.000 0.221 341 G C 0.645 175.459 174.900 -0.144 0.000 1.472 341 G CA 0.473 45.470 45.100 -0.172 0.000 0.962 341 G HN 0.856 nan 8.290 nan 0.000 0.671 342 I N -1.388 119.069 120.570 -0.188 0.000 2.830 342 I HA 0.252 4.422 4.170 0.001 0.000 0.263 342 I C 0.456 176.471 176.117 -0.170 0.000 1.230 342 I CA 1.233 62.438 61.300 -0.160 0.000 1.480 342 I CB -0.425 37.475 38.000 -0.167 0.000 1.095 342 I HN 0.189 nan 8.210 nan 0.000 0.455 343 D N 2.735 122.977 120.400 -0.264 0.000 2.737 343 D HA -0.167 4.474 4.640 0.001 0.000 0.238 343 D C -0.367 175.611 176.300 -0.536 0.000 1.157 343 D CA 1.007 54.820 54.000 -0.312 0.000 0.694 343 D CB -0.991 39.938 40.800 0.215 0.000 1.021 343 D HN 0.729 nan 8.370 nan 0.000 0.420 344 E N -0.986 118.657 120.200 -0.929 0.000 2.314 344 E HA 0.388 4.738 4.350 0.001 0.000 0.272 344 E C -0.361 175.855 176.600 -0.638 0.000 0.884 344 E CA -0.882 55.197 56.400 -0.535 0.000 0.753 344 E CB 1.075 30.645 29.700 -0.215 0.000 1.213 344 E HN 0.065 nan 8.360 nan 0.000 0.432 345 W N 1.984 123.194 121.300 -0.149 0.000 2.210 345 W HA 0.253 4.913 4.660 0.001 0.000 0.330 345 W C 0.610 177.103 176.519 -0.042 0.000 1.334 345 W CA 0.111 57.448 57.345 -0.013 0.000 1.227 345 W CB 0.630 30.155 29.460 0.108 0.000 1.178 345 W HN 0.159 nan 8.180 nan 0.000 0.560 346 R N 2.072 122.719 120.500 0.245 0.000 2.604 346 R HA 0.181 4.521 4.340 0.001 0.000 0.281 346 R C -1.280 175.115 176.300 0.159 0.000 1.020 346 R CA -0.841 55.344 56.100 0.141 0.000 0.899 346 R CB 1.217 31.548 30.300 0.051 0.000 1.205 346 R HN 0.319 nan 8.270 nan 0.000 0.450 347 D N 2.577 123.046 120.400 0.115 0.000 2.345 347 D HA 0.199 4.839 4.640 0.001 0.000 0.247 347 D C -0.271 176.084 176.300 0.092 0.000 1.108 347 D CA 0.403 54.461 54.000 0.096 0.000 0.894 347 D CB 1.124 41.966 40.800 0.070 0.000 1.203 347 D HN 0.310 nan 8.370 nan 0.000 0.430 348 E N -0.290 119.970 120.200 0.101 0.000 2.416 348 E HA 0.231 4.582 4.350 0.001 0.000 0.273 348 E C 0.428 177.096 176.600 0.113 0.000 0.935 348 E CA -0.494 55.970 56.400 0.107 0.000 0.784 348 E CB 1.545 31.328 29.700 0.139 0.000 1.301 348 E HN 0.401 nan 8.360 nan 0.000 0.454 349 T N -2.979 111.643 114.554 0.113 0.000 3.065 349 T HA 0.131 4.481 4.350 0.001 0.000 0.252 349 T C 0.200 175.007 174.700 0.178 0.000 1.099 349 T CA 0.396 62.571 62.100 0.125 0.000 1.063 349 T CB 0.253 69.178 68.868 0.096 0.000 0.948 349 T HN 0.270 nan 8.240 nan 0.000 0.506 350 D N -1.187 119.334 120.400 0.203 0.000 2.653 350 D HA 0.319 4.960 4.640 0.001 0.000 0.258 350 D C -2.263 174.244 176.300 0.345 0.000 1.252 350 D CA -0.686 53.491 54.000 0.295 0.000 0.777 350 D CB 1.587 42.514 40.800 0.212 0.000 1.339 350 D HN 0.165 nan 8.370 nan 0.000 0.422 351 W N 3.353 124.827 121.300 0.290 0.000 2.781 351 W HA 0.462 5.122 4.660 0.000 0.000 0.333 351 W C -2.855 173.851 176.519 0.312 0.000 1.047 351 W CA -1.844 55.630 57.345 0.214 0.000 1.236 351 W CB 1.578 31.052 29.460 0.024 0.000 1.394 351 W HN 0.193 nan 8.180 nan 0.000 0.466 352 P HA -0.054 nan 4.420 nan 0.000 0.269 352 P C -0.231 176.903 177.300 -0.277 0.000 1.211 352 P CA 0.042 62.694 63.100 -0.747 0.000 0.781 352 P CB 0.626 32.093 31.700 -0.387 0.000 0.877 353 L N 4.713 125.753 121.223 -0.304 0.000 2.455 353 L HA 0.087 4.427 4.340 0.001 0.000 0.272 353 L C -1.256 175.559 176.870 -0.092 0.000 1.174 353 L CA -0.671 54.104 54.840 -0.108 0.000 0.869 353 L CB -0.371 41.627 42.059 -0.102 0.000 1.130 353 L HN 0.406 nan 8.230 nan 0.000 0.474 354 P HA -0.089 nan 4.420 nan 0.000 0.222 354 P C 0.042 177.321 177.300 -0.034 0.000 1.147 354 P CA 1.059 64.151 63.100 -0.012 0.000 0.790 354 P CB 0.270 31.980 31.700 0.017 0.000 0.780 355 D N -1.905 118.460 120.400 -0.058 0.000 2.463 355 D HA 0.061 4.701 4.640 0.001 0.000 0.224 355 D C -0.114 176.114 176.300 -0.120 0.000 1.174 355 D CA 0.241 54.202 54.000 -0.065 0.000 0.829 355 D CB -0.455 40.318 40.800 -0.045 0.000 0.993 355 D HN 0.027 nan 8.370 nan 0.000 0.497 356 T N 1.292 115.728 114.554 -0.195 0.000 2.784 356 T HA 0.332 4.682 4.350 0.001 0.000 0.291 356 T C 0.472 174.933 174.700 -0.397 0.000 0.942 356 T CA -0.212 61.660 62.100 -0.379 0.000 1.161 356 T CB 0.893 69.382 68.868 -0.631 0.000 0.885 356 T HN 0.071 nan 8.240 nan 0.000 0.534 357 A N 4.569 127.205 122.820 -0.307 0.000 2.391 357 A HA 0.445 4.765 4.320 0.001 0.000 0.316 357 A C -0.497 176.967 177.584 -0.200 0.000 1.381 357 A CA -0.597 51.331 52.037 -0.182 0.000 0.998 357 A CB -0.290 18.663 19.000 -0.078 0.000 1.147 357 A HN 0.820 nan 8.150 nan 0.000 0.545 358 Y N 2.134 122.430 120.300 -0.006 0.000 2.624 358 Y HA 0.237 4.787 4.550 0.000 0.000 0.354 358 Y C 0.767 176.680 175.900 0.022 0.000 1.051 358 Y CA 0.592 58.694 58.100 0.004 0.000 1.377 358 Y CB 0.386 38.844 38.460 -0.003 0.000 1.168 358 Y HN 0.536 nan 8.280 nan 0.000 0.525 359 T N 6.520 121.171 114.554 0.162 0.000 2.770 359 T HA 0.318 4.668 4.350 0.001 0.000 0.283 359 T C -2.687 172.109 174.700 0.160 0.000 0.988 359 T CA -1.996 60.181 62.100 0.130 0.000 0.957 359 T CB 1.301 70.269 68.868 0.166 0.000 0.930 359 T HN 0.172 nan 8.240 nan 0.000 0.443 360 P HA 0.327 nan 4.420 nan 0.000 0.271 360 P C -0.982 176.146 177.300 -0.288 0.000 1.220 360 P CA -0.379 62.574 63.100 -0.245 0.000 0.768 360 P CB 0.176 31.392 31.700 -0.808 0.000 0.848 361 F N 2.878 122.643 119.950 -0.309 0.000 2.427 361 F HA 0.364 4.891 4.527 0.000 0.000 0.348 361 F C 0.146 175.820 175.800 -0.209 0.000 1.125 361 F CA -0.422 57.457 58.000 -0.202 0.000 0.989 361 F CB 0.689 39.627 39.000 -0.104 0.000 1.165 361 F HN 0.249 nan 8.300 nan 0.000 0.442 362 Y N 3.378 123.744 120.300 0.109 0.000 2.299 362 Y HA 0.436 4.986 4.550 0.001 0.000 0.326 362 Y C 0.362 176.294 175.900 0.054 0.000 1.164 362 Y CA -0.783 57.371 58.100 0.090 0.000 1.234 362 Y CB 0.666 39.139 38.460 0.023 0.000 1.219 362 Y HN 0.304 nan 8.280 nan 0.000 0.497 363 L N 2.713 124.013 121.223 0.129 0.000 2.426 363 L HA 0.555 4.895 4.340 0.001 0.000 0.271 363 L C 0.761 177.690 176.870 0.099 0.000 1.169 363 L CA 0.131 54.933 54.840 -0.062 0.000 0.836 363 L CB 0.203 42.000 42.059 -0.438 0.000 1.112 363 L HN 0.901 nan 8.230 nan 0.000 0.465 364 G N 0.331 109.243 108.800 0.188 0.000 2.634 364 G HA2 0.696 4.656 3.960 0.001 0.000 0.309 364 G HA3 0.696 4.656 3.960 0.001 0.000 0.309 364 G C -0.788 174.240 174.900 0.213 0.000 1.299 364 G CA -0.137 45.068 45.100 0.175 0.000 0.798 364 G HN 0.980 nan 8.290 nan 0.000 0.490 365 G N -1.558 107.322 108.800 0.134 0.000 2.428 365 G HA2 0.457 4.417 3.960 0.001 0.000 0.681 365 G HA3 0.457 4.417 3.960 0.001 0.000 0.681 365 G C -0.455 174.489 174.900 0.074 0.000 1.340 365 G CA 0.076 45.238 45.100 0.103 0.000 0.915 365 G HN 1.418 nan 8.290 nan 0.000 0.645 366 S N 0.633 116.363 115.700 0.049 0.000 2.537 366 S HA 0.776 5.247 4.470 0.001 0.000 0.275 366 S C 1.184 175.803 174.600 0.031 0.000 1.272 366 S CA 1.284 59.505 58.200 0.035 0.000 1.050 366 S CB 0.981 64.196 63.200 0.024 0.000 0.961 366 S HN 2.570 nan 8.310 nan 0.000 0.496 367 G N 1.843 110.661 108.800 0.030 0.000 2.562 367 G HA2 0.067 4.028 3.960 0.001 0.000 0.250 367 G HA3 0.067 4.028 3.960 0.001 0.000 0.250 367 G C -0.147 174.770 174.900 0.028 0.000 1.269 367 G CA -0.406 44.708 45.100 0.024 0.000 0.919 367 G HN 1.341 nan 8.290 nan 0.000 0.574 368 A N -0.493 122.337 122.820 0.016 0.000 2.310 368 A HA 0.880 5.200 4.320 0.001 0.000 0.299 368 A C 1.144 178.714 177.584 -0.023 0.000 1.147 368 A CA 0.738 52.784 52.037 0.015 0.000 0.818 368 A CB 1.402 20.414 19.000 0.019 0.000 1.096 368 A HN 2.435 nan 8.150 nan 0.000 0.495 369 A N 2.501 125.290 122.820 -0.053 0.000 2.275 369 A HA 0.185 4.505 4.320 0.001 0.000 0.212 369 A C 0.519 177.980 177.584 -0.205 0.000 1.201 369 A CA -0.202 51.707 52.037 -0.215 0.000 0.843 369 A CB -0.671 18.022 19.000 -0.511 0.000 0.873 369 A HN 0.836 nan 8.150 nan 0.000 0.492 370 N N 2.035 120.687 118.700 -0.080 0.000 2.412 370 N HA 0.335 5.075 4.740 0.001 0.000 0.258 370 N C 0.328 175.793 175.510 -0.075 0.000 1.236 370 N CA 1.503 54.522 53.050 -0.052 0.000 0.882 370 N CB -0.030 38.465 38.487 0.012 0.000 1.066 370 N HN 0.575 nan 8.380 nan 0.000 0.465 371 T N -1.546 112.961 114.554 -0.080 0.000 0.541 371 T HA -0.236 4.114 4.350 0.001 0.000 0.774 371 T C 0.927 175.537 174.700 -0.151 0.000 0.992 371 T CA 0.312 62.364 62.100 -0.080 0.000 4.077 371 T CB -1.235 67.607 68.868 -0.043 0.000 2.303 371 T HN 0.783 nan 8.240 nan 0.000 0.398 372 S N -0.253 115.308 115.700 -0.231 0.000 2.442 372 S HA -0.018 4.452 4.470 0.001 0.000 0.236 372 S C 1.814 176.290 174.600 -0.208 0.000 1.007 372 S CA 1.529 59.511 58.200 -0.363 0.000 0.965 372 S CB -0.870 61.819 63.200 -0.852 0.000 0.773 372 S HN 2.071 nan 8.310 nan 0.000 0.504 373 T N -1.574 112.899 114.554 -0.134 0.000 3.145 373 T HA 0.503 4.854 4.350 0.001 0.000 0.255 373 T C 0.908 175.569 174.700 -0.065 0.000 1.039 373 T CA -0.044 62.008 62.100 -0.080 0.000 0.928 373 T CB 0.041 68.880 68.868 -0.048 0.000 1.029 373 T HN 0.397 nan 8.240 nan 0.000 0.554 374 G N 0.451 109.200 108.800 -0.086 0.000 2.516 374 G HA2 0.475 4.435 3.960 0.001 0.000 0.276 374 G HA3 0.475 4.435 3.960 0.001 0.000 0.276 374 G C 0.917 175.777 174.900 -0.067 0.000 1.390 374 G CA -0.390 44.666 45.100 -0.075 0.000 1.050 374 G HN 0.335 nan 8.290 nan 0.000 0.519 375 G N -1.110 107.659 108.800 -0.052 0.000 3.189 375 G HA2 0.408 4.368 3.960 0.001 0.000 0.225 375 G HA3 0.408 4.368 3.960 0.001 0.000 0.225 375 G C 0.851 175.744 174.900 -0.012 0.000 1.159 375 G CA 0.499 45.586 45.100 -0.023 0.000 0.763 375 G HN 0.858 nan 8.290 nan 0.000 0.549 376 G N 0.802 109.550 108.800 -0.087 0.000 2.305 376 G HA2 0.410 4.370 3.960 0.001 0.000 0.243 376 G HA3 0.410 4.370 3.960 0.001 0.000 0.243 376 G C 0.304 175.269 174.900 0.109 0.000 1.288 376 G CA 0.777 45.848 45.100 -0.048 0.000 0.901 376 G HN 0.481 nan 8.290 nan 0.000 0.516 377 T N -0.271 114.438 114.554 0.258 0.000 2.916 377 T HA 0.717 5.067 4.350 0.001 0.000 0.292 377 T C -0.357 174.499 174.700 0.261 0.000 1.055 377 T CA -0.987 61.238 62.100 0.208 0.000 1.009 377 T CB 1.785 70.736 68.868 0.138 0.000 1.118 377 T HN 0.332 nan 8.240 nan 0.000 0.497 378 L N 1.514 122.865 121.223 0.212 0.000 2.346 378 L HA 0.821 5.161 4.340 0.001 0.000 0.274 378 L C -0.143 176.849 176.870 0.204 0.000 1.007 378 L CA -0.833 54.143 54.840 0.226 0.000 0.818 378 L CB 2.105 44.313 42.059 0.248 0.000 1.284 378 L HN 0.934 nan 8.230 nan 0.000 0.424 379 S N -0.901 114.902 115.700 0.171 0.000 2.537 379 S HA 0.246 4.717 4.470 0.001 0.000 0.271 379 S C 0.462 174.995 174.600 -0.111 0.000 1.148 379 S CA -0.044 58.178 58.200 0.037 0.000 0.868 379 S CB 1.689 64.921 63.200 0.052 0.000 1.115 379 S HN 0.762 nan 8.310 nan 0.000 0.461 380 T N 0.571 114.920 114.554 -0.341 0.000 3.113 380 T HA 0.175 4.525 4.350 0.001 0.000 0.263 380 T C 0.604 175.290 174.700 -0.023 0.000 1.143 380 T CA 0.338 62.212 62.100 -0.376 0.000 1.090 380 T CB -0.268 68.309 68.868 -0.485 0.000 0.922 380 T HN 0.351 nan 8.240 nan 0.000 0.521 381 S N 1.127 116.827 115.700 -0.000 0.000 2.508 381 S HA 0.530 5.000 4.470 0.001 0.000 0.284 381 S C 0.276 174.793 174.600 -0.138 0.000 1.192 381 S CA -0.823 57.347 58.200 -0.050 0.000 1.070 381 S CB 0.710 63.871 63.200 -0.066 0.000 1.004 381 S HN 0.378 nan 8.310 nan 0.000 0.493 382 I N 2.457 122.738 120.570 -0.480 0.000 2.845 382 I HA -0.058 4.112 4.170 0.001 0.000 0.296 382 I C 1.110 177.039 176.117 -0.315 0.000 1.216 382 I CA 0.241 61.084 61.300 -0.762 0.000 1.438 382 I CB 0.406 37.990 38.000 -0.694 0.000 1.342 382 I HN 0.509 nan 8.210 nan 0.000 0.577 383 S N 4.327 119.899 115.700 -0.215 0.000 2.560 383 S HA 0.122 4.593 4.470 0.001 0.000 0.284 383 S C 1.238 175.783 174.600 -0.092 0.000 1.327 383 S CA 0.106 58.258 58.200 -0.081 0.000 1.055 383 S CB 0.954 64.149 63.200 -0.008 0.000 0.868 383 S HN 0.813 nan 8.310 nan 0.000 0.506 384 G N 2.305 111.071 108.800 -0.057 0.000 2.453 384 G HA2 0.105 4.065 3.960 0.001 0.000 0.215 384 G HA3 0.105 4.065 3.960 0.001 0.000 0.215 384 G C 0.459 175.336 174.900 -0.039 0.000 1.147 384 G CA 0.741 45.808 45.100 -0.055 0.000 0.802 384 G HN 0.854 nan 8.290 nan 0.000 0.535 385 T N -0.382 114.162 114.554 -0.018 0.000 2.786 385 T HA 0.495 4.846 4.350 0.001 0.000 0.283 385 T C -0.549 174.158 174.700 0.011 0.000 0.992 385 T CA -0.769 61.329 62.100 -0.004 0.000 0.954 385 T CB 2.311 71.183 68.868 0.006 0.000 0.934 385 T HN 0.025 nan 8.240 nan 0.000 0.440 386 E N 2.242 122.451 120.200 0.015 0.000 2.529 386 E HA 0.284 4.635 4.350 0.001 0.000 0.259 386 E C -0.019 176.612 176.600 0.051 0.000 0.966 386 E CA 0.225 56.652 56.400 0.044 0.000 0.937 386 E CB 1.077 30.810 29.700 0.055 0.000 0.923 386 E HN 0.713 nan 8.360 nan 0.000 0.468 387 S N 0.330 116.068 115.700 0.065 0.000 2.727 387 S HA 0.782 5.253 4.470 0.001 0.000 0.278 387 S C -1.917 172.708 174.600 0.042 0.000 1.186 387 S CA -0.031 58.201 58.200 0.054 0.000 0.836 387 S CB 1.695 64.929 63.200 0.057 0.000 1.186 387 S HN 0.602 nan 8.310 nan 0.000 0.499 388 A N 1.441 124.267 122.820 0.010 0.000 2.577 388 A HA 0.632 4.953 4.320 0.001 0.000 0.297 388 A C -2.178 175.393 177.584 -0.021 0.000 1.060 388 A CA -0.679 51.312 52.037 -0.077 0.000 0.697 388 A CB 1.269 20.134 19.000 -0.225 0.000 1.281 388 A HN 0.653 nan 8.150 nan 0.000 0.402 389 D N 1.438 121.846 120.400 0.013 0.000 2.185 389 D HA 0.672 5.312 4.640 0.001 0.000 0.247 389 D C -0.588 175.748 176.300 0.059 0.000 1.027 389 D CA 0.242 54.294 54.000 0.087 0.000 0.861 389 D CB 2.070 42.989 40.800 0.199 0.000 1.202 389 D HN 0.425 nan 8.370 nan 0.000 0.453 390 T N 1.315 115.916 114.554 0.078 0.000 2.893 390 T HA 0.572 4.922 4.350 0.001 0.000 0.293 390 T C -0.844 173.933 174.700 0.127 0.000 1.027 390 T CA -0.724 61.380 62.100 0.007 0.000 0.988 390 T CB 1.106 69.961 68.868 -0.022 0.000 1.043 390 T HN 0.381 nan 8.240 nan 0.000 0.461 391 Y N 0.391 120.741 120.300 0.083 0.000 2.655 391 Y HA 0.834 5.384 4.550 0.001 0.000 0.336 391 Y C -1.785 174.170 175.900 0.090 0.000 1.154 391 Y CA -1.862 56.287 58.100 0.081 0.000 1.055 391 Y CB 0.910 39.424 38.460 0.091 0.000 1.295 391 Y HN 0.542 nan 8.280 nan 0.000 0.465 392 L N 2.917 124.312 121.223 0.287 0.000 2.272 392 L HA 0.451 4.792 4.340 0.001 0.000 0.289 392 L C -1.377 175.690 176.870 0.328 0.000 1.032 392 L CA -0.689 54.264 54.840 0.189 0.000 0.810 392 L CB 0.638 42.758 42.059 0.102 0.000 1.205 392 L HN 0.684 nan 8.230 nan 0.000 0.422 393 Y N 4.822 125.218 120.300 0.159 0.000 2.353 393 Y HA 0.486 5.037 4.550 0.001 0.000 0.340 393 Y C -0.994 174.929 175.900 0.040 0.000 0.972 393 Y CA -1.077 57.103 58.100 0.133 0.000 1.157 393 Y CB 0.770 39.308 38.460 0.131 0.000 1.157 393 Y HN 0.695 nan 8.280 nan 0.000 0.495 394 D N 8.641 128.829 120.400 -0.353 0.000 2.414 394 D HA 0.366 5.006 4.640 0.001 0.000 0.232 394 D C -2.209 173.791 176.300 -0.500 0.000 1.070 394 D CA -2.705 51.035 54.000 -0.433 0.000 0.839 394 D CB 2.299 43.001 40.800 -0.164 0.000 1.079 394 D HN 0.308 nan 8.370 nan 0.000 0.521 395 P HA -0.144 nan 4.420 nan 0.000 0.217 395 P C 0.886 178.062 177.300 -0.207 0.000 1.148 395 P CA 1.356 64.249 63.100 -0.345 0.000 0.834 395 P CB 0.258 31.794 31.700 -0.274 0.000 0.783 396 A N -1.283 121.428 122.820 -0.181 0.000 2.119 396 A HA -0.099 4.221 4.320 0.001 0.000 0.217 396 A C 1.148 178.670 177.584 -0.103 0.000 1.153 396 A CA 1.216 53.172 52.037 -0.134 0.000 0.692 396 A CB -0.656 18.284 19.000 -0.101 0.000 0.799 396 A HN 0.094 nan 8.150 nan 0.000 0.458 397 D N -0.484 119.868 120.400 -0.079 0.000 2.552 397 D HA 0.279 4.919 4.640 0.001 0.000 0.285 397 D C -2.881 173.444 176.300 0.042 0.000 1.206 397 D CA -2.022 51.966 54.000 -0.021 0.000 0.826 397 D CB 1.169 41.967 40.800 -0.003 0.000 1.179 397 D HN 0.135 nan 8.370 nan 0.000 0.508 398 P HA 0.132 nan 4.420 nan 0.000 0.276 398 P C -0.061 177.314 177.300 0.125 0.000 1.252 398 P CA -0.550 62.632 63.100 0.137 0.000 0.802 398 P CB 1.185 32.916 31.700 0.053 0.000 1.035 399 V N 3.480 123.466 119.914 0.119 0.000 2.485 399 V HA 0.078 4.199 4.120 0.001 0.000 0.287 399 V C -1.704 174.471 176.094 0.136 0.000 1.022 399 V CA -1.003 61.353 62.300 0.094 0.000 1.067 399 V CB -0.202 31.652 31.823 0.052 0.000 0.967 399 V HN 0.597 nan 8.190 nan 0.000 0.479 400 P HA 0.157 nan 4.420 nan 0.000 0.271 400 P C -0.280 177.087 177.300 0.111 0.000 1.218 400 P CA -0.173 63.015 63.100 0.146 0.000 0.780 400 P CB 0.534 32.310 31.700 0.127 0.000 0.901 401 S N 2.086 117.847 115.700 0.101 0.000 2.531 401 S HA 0.317 4.787 4.470 0.001 0.000 0.279 401 S C 0.164 174.816 174.600 0.087 0.000 1.305 401 S CA -0.228 58.018 58.200 0.076 0.000 1.058 401 S CB -0.297 62.924 63.200 0.035 0.000 0.899 401 S HN 0.308 nan 8.310 nan 0.000 0.493 402 L N 3.077 124.332 121.223 0.053 0.000 2.457 402 L HA 0.532 4.872 4.340 0.001 0.000 0.266 402 L C 0.770 177.649 176.870 0.015 0.000 0.979 402 L CA -0.349 54.504 54.840 0.022 0.000 0.857 402 L CB 0.932 42.995 42.059 0.006 0.000 1.213 402 L HN 1.001 nan 8.230 nan 0.000 0.418 403 G N 2.479 111.275 108.800 -0.007 0.000 2.539 403 G HA2 0.088 4.049 3.960 0.001 0.000 0.256 403 G HA3 0.088 4.049 3.960 0.001 0.000 0.256 403 G C 0.461 175.397 174.900 0.060 0.000 1.233 403 G CA -0.133 44.961 45.100 -0.010 0.000 0.936 403 G HN 1.465 nan 8.290 nan 0.000 0.571 404 G N -2.538 106.358 108.800 0.160 0.000 2.528 404 G HA2 0.184 4.144 3.960 0.001 0.000 0.262 404 G HA3 0.184 4.144 3.960 0.001 0.000 0.262 404 G C 1.176 176.224 174.900 0.247 0.000 1.200 404 G CA 2.287 47.540 45.100 0.255 0.000 0.951 404 G HN 2.696 nan 8.290 nan 0.000 0.566 405 T N -0.659 113.965 114.554 0.117 0.000 3.251 405 T HA 0.610 4.961 4.350 0.001 0.000 0.259 405 T C 1.072 175.744 174.700 -0.047 0.000 0.998 405 T CA 0.235 62.370 62.100 0.058 0.000 0.905 405 T CB -0.239 68.634 68.868 0.008 0.000 1.067 405 T HN 0.656 nan 8.240 nan 0.000 0.569 406 L N 1.216 122.415 121.223 -0.039 0.000 2.543 406 L HA 0.118 4.459 4.340 0.001 0.000 0.285 406 L C 1.357 178.171 176.870 -0.094 0.000 1.236 406 L CA 0.040 54.838 54.840 -0.070 0.000 0.871 406 L CB 0.501 42.548 42.059 -0.020 0.000 1.121 406 L HN 0.306 nan 8.230 nan 0.000 0.501 407 L N 1.834 122.971 121.223 -0.143 0.000 2.347 407 L HA 0.079 4.419 4.340 0.001 0.000 0.196 407 L C 1.225 177.797 176.870 -0.497 0.000 1.072 407 L CA 0.678 55.312 54.840 -0.342 0.000 0.817 407 L CB 0.057 41.862 42.059 -0.423 0.000 1.029 407 L HN 0.532 nan 8.230 nan 0.000 0.478 408 F N -2.375 117.621 119.950 0.076 0.000 2.667 408 F HA 0.150 4.677 4.527 0.001 0.000 0.288 408 F C 1.001 176.848 175.800 0.079 0.000 1.086 408 F CA -0.526 57.532 58.000 0.096 0.000 1.297 408 F CB 0.008 39.087 39.000 0.133 0.000 1.059 408 F HN -0.050 nan 8.300 nan 0.000 0.624 409 H N 2.045 121.193 119.070 0.131 0.000 2.864 409 H HA 0.209 4.765 4.556 0.001 0.000 0.281 409 H C 0.167 175.496 175.328 0.003 0.000 1.093 409 H CA -0.556 55.516 56.048 0.040 0.000 1.453 409 H CB -0.321 29.423 29.762 -0.030 0.000 1.462 409 H HN 0.024 nan 8.280 nan 0.000 0.480 410 N N 3.413 121.895 118.700 -0.363 0.000 2.689 410 N HA -0.167 4.574 4.740 0.001 0.000 0.263 410 N C 0.752 176.178 175.510 -0.140 0.000 0.987 410 N CA 1.120 54.002 53.050 -0.280 0.000 0.782 410 N CB -0.959 37.282 38.487 -0.411 0.000 0.903 410 N HN 0.915 nan 8.380 nan 0.000 0.547 411 G N -0.101 108.652 108.800 -0.077 0.000 3.314 411 G HA2 -0.024 3.937 3.960 0.001 0.000 0.238 411 G HA3 -0.024 3.937 3.960 0.001 0.000 0.238 411 G C 0.601 175.481 174.900 -0.033 0.000 1.184 411 G CA 0.147 45.215 45.100 -0.055 0.000 0.806 411 G HN 0.442 nan 8.290 nan 0.000 0.536 412 D N -0.988 119.386 120.400 -0.043 0.000 2.501 412 D HA 0.087 4.727 4.640 0.001 0.000 0.226 412 D C 0.394 176.665 176.300 -0.047 0.000 1.198 412 D CA -0.687 53.297 54.000 -0.027 0.000 0.830 412 D CB 0.111 40.895 40.800 -0.026 0.000 1.014 412 D HN 0.087 nan 8.370 nan 0.000 0.496 413 N N -0.008 118.648 118.700 -0.074 0.000 2.646 413 N HA 0.218 4.959 4.740 0.001 0.000 0.296 413 N C 1.370 176.773 175.510 -0.178 0.000 1.886 413 N CA 0.077 53.057 53.050 -0.116 0.000 0.855 413 N CB 0.611 39.032 38.487 -0.110 0.000 1.336 413 N HN 0.049 nan 8.380 nan 0.000 0.496 414 G N 1.341 109.992 108.800 -0.248 0.000 2.553 414 G HA2 -0.185 3.775 3.960 0.001 0.000 0.218 414 G HA3 -0.185 3.775 3.960 0.001 0.000 0.218 414 G C -1.330 173.135 174.900 -0.725 0.000 1.195 414 G CA 0.634 45.441 45.100 -0.489 0.000 0.779 414 G HN 0.420 nan 8.290 nan 0.000 0.577 415 P HA 0.396 nan 4.420 nan 0.000 0.226 415 P C -0.206 176.966 177.300 -0.212 0.000 1.783 415 P CA -0.177 62.682 63.100 -0.401 0.000 0.980 415 P CB -0.044 31.523 31.700 -0.222 0.000 1.967 416 A N 1.479 124.208 122.820 -0.152 0.000 2.388 416 A HA 0.214 4.534 4.320 0.001 0.000 0.257 416 A C 0.319 177.848 177.584 -0.092 0.000 1.095 416 A CA -0.308 51.659 52.037 -0.117 0.000 0.791 416 A CB 0.005 18.955 19.000 -0.083 0.000 1.029 416 A HN 0.207 nan 8.150 nan 0.000 0.489 417 D N 0.990 121.320 120.400 -0.117 0.000 2.383 417 D HA 0.108 4.748 4.640 0.001 0.000 0.252 417 D C 0.718 176.952 176.300 -0.110 0.000 1.166 417 D CA 0.139 54.069 54.000 -0.116 0.000 0.879 417 D CB 0.827 41.544 40.800 -0.138 0.000 1.164 417 D HN 0.402 nan 8.370 nan 0.000 0.462 418 Q N 3.308 123.040 119.800 -0.112 0.000 2.392 418 Q HA 0.069 4.409 4.340 0.001 0.000 0.203 418 Q C 1.694 177.426 176.000 -0.447 0.000 0.917 418 Q CA 0.148 55.856 55.803 -0.158 0.000 0.939 418 Q CB 0.116 28.835 28.738 -0.031 0.000 1.063 418 Q HN 0.555 nan 8.270 nan 0.000 0.516 419 R N 0.739 120.932 120.500 -0.512 0.000 2.133 419 R HA -0.181 4.159 4.340 0.001 0.000 0.247 419 R C -0.729 175.321 176.300 -0.417 0.000 1.151 419 R CA 1.600 57.278 56.100 -0.703 0.000 0.971 419 R CB -1.276 28.874 30.300 -0.249 0.000 0.866 419 R HN 0.219 nan 8.270 nan 0.000 0.447 420 P HA -0.151 nan 4.420 nan 0.000 0.220 420 P C 0.945 178.200 177.300 -0.075 0.000 1.144 420 P CA 1.377 64.411 63.100 -0.111 0.000 0.800 420 P CB 0.018 31.674 31.700 -0.073 0.000 0.772 421 I N -5.597 114.910 120.570 -0.105 0.000 4.338 421 I HA 0.117 4.287 4.170 0.001 0.000 0.315 421 I C 1.918 178.070 176.117 0.057 0.000 1.262 421 I CA 0.124 61.416 61.300 -0.014 0.000 1.298 421 I CB -1.498 36.505 38.000 0.004 0.000 1.257 421 I HN -0.045 nan 8.210 nan 0.000 0.444 422 H N 1.137 120.211 119.070 0.007 0.000 2.567 422 H HA 0.015 4.571 4.556 0.001 0.000 0.281 422 H C 0.249 175.570 175.328 -0.011 0.000 1.055 422 H CA 0.863 56.910 56.048 -0.002 0.000 1.185 422 H CB -0.837 28.929 29.762 0.007 0.000 1.325 422 H HN 0.626 nan 8.280 nan 0.000 0.622 423 D N 0.224 120.768 120.400 0.239 0.000 2.366 423 D HA 0.024 4.664 4.640 0.001 0.000 0.205 423 D C 0.431 176.768 176.300 0.062 0.000 1.022 423 D CA -0.436 53.648 54.000 0.140 0.000 0.868 423 D CB 0.135 41.008 40.800 0.123 0.000 0.953 423 D HN 0.213 nan 8.370 nan 0.000 0.514 424 R N 0.842 121.373 120.500 0.050 0.000 2.623 424 R HA 0.082 4.422 4.340 0.001 0.000 0.271 424 R C 0.412 176.715 176.300 0.005 0.000 1.043 424 R CA 0.025 56.140 56.100 0.025 0.000 1.083 424 R CB 0.508 30.818 30.300 0.018 0.000 0.974 424 R HN 0.023 nan 8.270 nan 0.000 0.436 425 D N 1.216 121.626 120.400 0.016 0.000 2.218 425 D HA -0.161 4.480 4.640 0.001 0.000 0.204 425 D C 0.822 177.121 176.300 -0.003 0.000 0.976 425 D CA 1.306 55.320 54.000 0.024 0.000 0.853 425 D CB 0.167 41.001 40.800 0.055 0.000 0.939 425 D HN 0.606 nan 8.370 nan 0.000 0.481 426 D N -0.505 119.859 120.400 -0.059 0.000 2.325 426 D HA -0.032 4.608 4.640 0.001 0.000 0.225 426 D C -0.220 175.802 176.300 -0.463 0.000 1.096 426 D CA -0.066 53.746 54.000 -0.314 0.000 0.844 426 D CB -0.061 40.664 40.800 -0.124 0.000 0.925 426 D HN 0.017 nan 8.370 nan 0.000 0.513 427 V N 1.778 121.560 119.914 -0.220 0.000 2.311 427 V HA 0.244 4.365 4.120 0.001 0.000 0.275 427 V C 0.251 176.269 176.094 -0.127 0.000 1.022 427 V CA -0.779 61.431 62.300 -0.150 0.000 0.830 427 V CB 1.243 33.048 31.823 -0.029 0.000 1.012 427 V HN 0.113 nan 8.190 nan 0.000 0.452 428 L N 4.410 125.561 121.223 -0.120 0.000 2.305 428 L HA 0.484 4.824 4.340 0.001 0.000 0.281 428 L C -0.287 176.466 176.870 -0.194 0.000 1.085 428 L CA -0.106 54.655 54.840 -0.133 0.000 0.813 428 L CB 1.020 43.110 42.059 0.052 0.000 1.157 428 L HN 0.560 nan 8.230 nan 0.000 0.436 429 C N 2.862 121.917 119.300 -0.407 0.000 2.379 429 C HA 0.615 5.075 4.460 0.001 0.000 0.323 429 C C -0.641 174.023 174.990 -0.544 0.000 1.262 429 C CA -0.875 57.962 59.018 -0.302 0.000 1.581 429 C CB 0.570 28.195 27.740 -0.191 0.000 2.221 429 C HN 0.539 nan 8.230 nan 0.000 0.497 430 Y N 1.170 121.494 120.300 0.040 0.000 2.346 430 Y HA 0.545 5.096 4.550 0.001 0.000 0.332 430 Y C 0.373 176.300 175.900 0.045 0.000 0.985 430 Y CA -0.264 57.867 58.100 0.051 0.000 1.112 430 Y CB 1.586 40.089 38.460 0.072 0.000 1.170 430 Y HN 0.620 nan 8.280 nan 0.000 0.447 431 S N 0.968 116.759 115.700 0.152 0.000 2.566 431 S HA 0.578 5.048 4.470 0.001 0.000 0.298 431 S C -0.192 174.473 174.600 0.108 0.000 1.083 431 S CA -0.992 57.270 58.200 0.103 0.000 0.978 431 S CB 1.562 64.798 63.200 0.061 0.000 1.073 431 S HN 0.681 nan 8.310 nan 0.000 0.491 432 T N 0.103 114.708 114.554 0.085 0.000 2.816 432 T HA 0.392 4.743 4.350 0.001 0.000 0.282 432 T C 0.045 174.786 174.700 0.068 0.000 0.993 432 T CA -0.796 61.359 62.100 0.091 0.000 0.994 432 T CB 0.228 69.148 68.868 0.087 0.000 1.025 432 T HN 0.465 nan 8.240 nan 0.000 0.529 433 E N 0.445 120.683 120.200 0.062 0.000 2.410 433 E HA 0.178 4.528 4.350 0.001 0.000 0.255 433 E C 0.123 176.752 176.600 0.049 0.000 1.194 433 E CA -0.376 56.053 56.400 0.048 0.000 0.955 433 E CB 0.524 30.248 29.700 0.040 0.000 0.988 433 E HN 0.488 nan 8.360 nan 0.000 0.461 434 V N 2.286 122.226 119.914 0.044 0.000 2.617 434 V HA -0.081 4.039 4.120 0.001 0.000 0.304 434 V C 0.754 176.878 176.094 0.050 0.000 1.040 434 V CA 0.367 62.696 62.300 0.049 0.000 1.149 434 V CB -0.286 31.560 31.823 0.039 0.000 0.914 434 V HN 0.355 nan 8.190 nan 0.000 0.487 435 L N 4.968 126.228 121.223 0.063 0.000 2.397 435 L HA 0.268 4.609 4.340 0.001 0.000 0.271 435 L C 1.441 178.339 176.870 0.046 0.000 1.148 435 L CA 0.066 54.938 54.840 0.055 0.000 0.825 435 L CB 1.152 43.248 42.059 0.062 0.000 1.117 435 L HN 0.903 nan 8.230 nan 0.000 0.456 436 T N -3.718 110.856 114.554 0.034 0.000 3.001 436 T HA 0.197 4.547 4.350 0.001 0.000 0.251 436 T C 0.306 175.018 174.700 0.020 0.000 1.040 436 T CA -0.200 61.915 62.100 0.026 0.000 0.985 436 T CB 0.304 69.184 68.868 0.020 0.000 1.011 436 T HN 0.408 nan 8.240 nan 0.000 0.509 437 D N 1.993 122.406 120.400 0.020 0.000 2.601 437 D HA 0.446 5.087 4.640 0.001 0.000 0.230 437 D C -2.826 173.481 176.300 0.012 0.000 1.106 437 D CA -1.758 52.249 54.000 0.012 0.000 0.873 437 D CB 2.658 43.464 40.800 0.010 0.000 1.515 437 D HN 0.013 nan 8.370 nan 0.000 0.468 438 P HA 0.120 nan 4.420 nan 0.000 0.271 438 P C -0.616 176.691 177.300 0.012 0.000 1.218 438 P CA -0.295 62.800 63.100 -0.009 0.000 0.780 438 P CB 0.830 32.510 31.700 -0.035 0.000 0.901 439 V N 2.645 122.583 119.914 0.041 0.000 2.443 439 V HA 0.245 4.365 4.120 0.001 0.000 0.293 439 V C 0.300 176.449 176.094 0.091 0.000 1.021 439 V CA -0.558 61.773 62.300 0.051 0.000 0.848 439 V CB 1.297 33.129 31.823 0.015 0.000 0.998 439 V HN 0.568 nan 8.190 nan 0.000 0.424 440 E N 3.976 124.192 120.200 0.026 0.000 2.167 440 E HA 0.507 4.857 4.350 0.001 0.000 0.284 440 E C -1.342 175.254 176.600 -0.005 0.000 1.016 440 E CA -0.412 55.986 56.400 -0.002 0.000 0.817 440 E CB 1.667 31.337 29.700 -0.050 0.000 1.080 440 E HN 0.489 nan 8.360 nan 0.000 0.397 441 V N 5.023 124.949 119.914 0.019 0.000 2.293 441 V HA 0.281 4.401 4.120 0.001 0.000 0.275 441 V C -0.533 175.500 176.094 -0.102 0.000 1.021 441 V CA -0.423 61.868 62.300 -0.015 0.000 0.815 441 V CB 1.444 33.332 31.823 0.109 0.000 1.025 441 V HN 0.702 nan 8.190 nan 0.000 0.448 442 T N 3.746 118.229 114.554 -0.118 0.000 2.985 442 T HA 0.788 5.138 4.350 0.001 0.000 0.315 442 T C 0.227 174.854 174.700 -0.121 0.000 1.001 442 T CA -0.020 62.015 62.100 -0.108 0.000 1.016 442 T CB 1.403 70.238 68.868 -0.055 0.000 0.993 442 T HN 1.112 nan 8.240 nan 0.000 0.454 443 G N 1.993 110.773 108.800 -0.033 0.000 2.345 443 G HA2 0.404 4.364 3.960 0.001 0.000 0.285 443 G HA3 0.404 4.364 3.960 0.001 0.000 0.285 443 G C -0.459 174.533 174.900 0.154 0.000 1.297 443 G CA -0.363 44.622 45.100 -0.193 0.000 0.875 443 G HN 0.791 nan 8.290 nan 0.000 0.506 444 T N -1.767 112.884 114.554 0.163 0.000 2.918 444 T HA 0.591 4.942 4.350 0.001 0.000 0.302 444 T C -0.013 174.790 174.700 0.171 0.000 1.045 444 T CA -0.322 61.925 62.100 0.243 0.000 1.114 444 T CB 1.608 70.608 68.868 0.220 0.000 0.965 444 T HN 1.233 nan 8.240 nan 0.000 0.540 445 V N 2.497 122.487 119.914 0.126 0.000 2.656 445 V HA 0.791 4.911 4.120 0.001 0.000 0.307 445 V C -0.024 176.103 176.094 0.055 0.000 1.051 445 V CA -0.748 61.601 62.300 0.082 0.000 0.893 445 V CB 1.815 33.669 31.823 0.052 0.000 0.999 445 V HN 1.354 nan 8.190 nan 0.000 0.426 446 S N 2.666 118.387 115.700 0.033 0.000 2.607 446 S HA 0.963 5.433 4.470 0.001 0.000 0.273 446 S C -0.756 173.822 174.600 -0.037 0.000 1.148 446 S CA -0.309 57.889 58.200 -0.004 0.000 0.833 446 S CB 2.184 65.372 63.200 -0.020 0.000 1.130 446 S HN 1.517 nan 8.310 nan 0.000 0.470 447 A N 1.300 124.076 122.820 -0.073 0.000 2.380 447 A HA 0.911 5.231 4.320 0.001 0.000 0.315 447 A C -0.729 176.718 177.584 -0.228 0.000 1.101 447 A CA -0.978 50.972 52.037 -0.145 0.000 0.771 447 A CB 1.169 20.112 19.000 -0.094 0.000 1.287 447 A HN 0.685 nan 8.150 nan 0.000 0.436 448 R N 1.592 121.842 120.500 -0.417 0.000 2.409 448 R HA 0.524 4.864 4.340 0.001 0.000 0.313 448 R C -1.584 174.517 176.300 -0.332 0.000 0.953 448 R CA -0.231 55.619 56.100 -0.416 0.000 0.849 448 R CB 0.948 30.920 30.300 -0.547 0.000 1.171 448 R HN 0.665 nan 8.270 nan 0.000 0.458 449 L N 3.418 124.482 121.223 -0.265 0.000 2.346 449 L HA 0.553 4.893 4.340 0.001 0.000 0.276 449 L C -0.505 176.218 176.870 -0.244 0.000 1.006 449 L CA -0.948 53.792 54.840 -0.168 0.000 0.817 449 L CB 1.416 43.376 42.059 -0.166 0.000 1.272 449 L HN 0.327 nan 8.230 nan 0.000 0.421 450 F N 3.036 122.970 119.950 -0.027 0.000 2.404 450 F HA 0.460 4.988 4.527 0.001 0.000 0.358 450 F C 0.388 176.193 175.800 0.008 0.000 1.120 450 F CA -0.562 57.445 58.000 0.011 0.000 1.144 450 F CB 1.349 40.407 39.000 0.097 0.000 1.133 450 F HN 0.147 nan 8.300 nan 0.000 0.495 451 V N 0.333 120.282 119.914 0.058 0.000 3.040 451 V HA 0.968 5.088 4.120 0.001 0.000 0.312 451 V C -0.626 175.552 176.094 0.141 0.000 1.115 451 V CA -0.849 61.395 62.300 -0.094 0.000 0.998 451 V CB 1.792 33.080 31.823 -0.892 0.000 1.042 451 V HN 0.705 nan 8.190 nan 0.000 0.433 452 S N 1.119 116.953 115.700 0.223 0.000 2.579 452 S HA 0.853 5.323 4.470 0.001 0.000 0.272 452 S C -0.739 174.045 174.600 0.307 0.000 1.141 452 S CA -0.266 58.114 58.200 0.300 0.000 0.843 452 S CB 1.667 65.054 63.200 0.311 0.000 1.122 452 S HN 1.785 nan 8.310 nan 0.000 0.468 453 S N 0.054 115.910 115.700 0.262 0.000 2.549 453 S HA 0.580 5.051 4.470 0.001 0.000 0.280 453 S C 0.880 175.552 174.600 0.120 0.000 1.109 453 S CA -0.037 58.278 58.200 0.191 0.000 0.905 453 S CB 1.638 64.951 63.200 0.190 0.000 1.081 453 S HN 1.340 nan 8.310 nan 0.000 0.477 454 S N 2.213 117.957 115.700 0.074 0.000 2.515 454 S HA 0.286 4.756 4.470 0.001 0.000 0.231 454 S C 0.747 175.373 174.600 0.044 0.000 0.987 454 S CA 0.350 58.580 58.200 0.050 0.000 0.936 454 S CB -0.309 62.907 63.200 0.026 0.000 0.766 454 S HN 0.963 nan 8.310 nan 0.000 0.528 455 A N 1.197 124.046 122.820 0.049 0.000 2.299 455 A HA 0.703 5.024 4.320 0.001 0.000 0.332 455 A C 1.023 178.628 177.584 0.035 0.000 1.131 455 A CA -0.284 51.772 52.037 0.032 0.000 0.844 455 A CB 1.234 20.247 19.000 0.021 0.000 1.251 455 A HN 0.805 nan 8.150 nan 0.000 0.486 456 V N -2.240 117.683 119.914 0.015 0.000 3.541 456 V HA 0.277 4.397 4.120 0.001 0.000 0.267 456 V C 0.120 176.197 176.094 -0.027 0.000 1.213 456 V CA 1.502 63.803 62.300 0.002 0.000 1.149 456 V CB -0.894 30.928 31.823 -0.002 0.000 0.822 456 V HN 0.781 nan 8.190 nan 0.000 0.462 457 D N -1.722 118.667 120.400 -0.019 0.000 2.717 457 D HA 0.623 5.264 4.640 0.001 0.000 0.223 457 D C -0.750 175.544 176.300 -0.011 0.000 1.240 457 D CA 0.277 54.255 54.000 -0.035 0.000 0.801 457 D CB 2.371 43.141 40.800 -0.051 0.000 1.556 457 D HN 0.194 nan 8.370 nan 0.000 0.462 458 T N 0.748 115.283 114.554 -0.032 0.000 2.661 458 T HA 0.415 4.766 4.350 0.001 0.000 0.305 458 T C -1.892 172.710 174.700 -0.164 0.000 1.441 458 T CA -0.586 61.469 62.100 -0.074 0.000 0.999 458 T CB 1.024 69.813 68.868 -0.132 0.000 1.650 458 T HN 0.275 nan 8.240 nan 0.000 0.489 459 D N 0.263 120.468 120.400 -0.324 0.000 2.299 459 D HA 0.672 5.313 4.640 0.001 0.000 0.243 459 D C -1.086 174.842 176.300 -0.621 0.000 0.982 459 D CA 0.008 53.819 54.000 -0.314 0.000 0.924 459 D CB 1.086 41.740 40.800 -0.244 0.000 1.238 459 D HN 0.323 nan 8.370 nan 0.000 0.484 460 F N 0.005 119.934 119.950 -0.035 0.000 2.540 460 F HA 0.388 4.915 4.527 0.001 0.000 0.317 460 F C 0.604 176.392 175.800 -0.020 0.000 1.104 460 F CA -0.734 57.266 58.000 -0.000 0.000 0.913 460 F CB 2.118 41.138 39.000 0.033 0.000 1.170 460 F HN 0.053 nan 8.300 nan 0.000 0.450 461 T N -0.043 114.612 114.554 0.167 0.000 2.885 461 T HA 0.928 5.278 4.350 0.001 0.000 0.285 461 T C -0.848 173.930 174.700 0.130 0.000 1.019 461 T CA -0.904 61.258 62.100 0.102 0.000 1.010 461 T CB 1.935 70.845 68.868 0.069 0.000 1.022 461 T HN 0.882 nan 8.240 nan 0.000 0.466 462 A N 1.927 124.809 122.820 0.103 0.000 2.398 462 A HA 0.781 5.102 4.320 0.001 0.000 0.301 462 A C -0.641 177.004 177.584 0.101 0.000 1.041 462 A CA -0.952 51.146 52.037 0.101 0.000 0.711 462 A CB 1.585 20.627 19.000 0.069 0.000 1.240 462 A HN 0.935 nan 8.150 nan 0.000 0.420 463 K N 2.100 122.567 120.400 0.112 0.000 2.397 463 K HA 0.604 4.925 4.320 0.001 0.000 0.253 463 K C -1.687 174.984 176.600 0.118 0.000 0.932 463 K CA -0.723 55.634 56.287 0.117 0.000 0.795 463 K CB 1.638 34.213 32.500 0.125 0.000 1.159 463 K HN 0.611 nan 8.250 nan 0.000 0.424 464 L N 4.629 125.922 121.223 0.116 0.000 2.312 464 L HA 0.506 4.846 4.340 0.001 0.000 0.281 464 L C -1.412 175.568 176.870 0.183 0.000 1.070 464 L CA -0.201 54.717 54.840 0.131 0.000 0.805 464 L CB 1.611 43.737 42.059 0.112 0.000 1.174 464 L HN 0.394 nan 8.230 nan 0.000 0.434 465 V N 3.819 123.870 119.914 0.228 0.000 2.760 465 V HA 0.377 4.497 4.120 0.001 0.000 0.309 465 V C -1.179 175.149 176.094 0.390 0.000 1.077 465 V CA -0.835 61.621 62.300 0.260 0.000 0.910 465 V CB 1.959 33.912 31.823 0.216 0.000 1.008 465 V HN 0.722 nan 8.190 nan 0.000 0.424 466 D N 3.203 123.838 120.400 0.391 0.000 2.412 466 D HA 0.362 5.003 4.640 0.001 0.000 0.224 466 D C -0.586 176.004 176.300 0.483 0.000 1.093 466 D CA -0.085 54.194 54.000 0.465 0.000 0.850 466 D CB 1.746 42.669 40.800 0.204 0.000 1.046 466 D HN 0.252 nan 8.370 nan 0.000 0.507 467 V N 5.362 125.512 119.914 0.393 0.000 2.408 467 V HA 0.218 4.338 4.120 0.001 0.000 0.267 467 V C 0.398 176.635 176.094 0.239 0.000 1.047 467 V CA -0.540 61.949 62.300 0.315 0.000 0.937 467 V CB 0.025 31.965 31.823 0.194 0.000 0.999 467 V HN 0.340 nan 8.190 nan 0.000 0.472 468 F N 6.910 126.814 119.950 -0.077 0.000 2.382 468 F HA 0.354 4.881 4.527 0.001 0.000 0.331 468 F C -0.986 174.657 175.800 -0.261 0.000 1.121 468 F CA -2.020 55.769 58.000 -0.352 0.000 1.183 468 F CB 0.544 39.428 39.000 -0.195 0.000 1.207 468 F HN 0.349 nan 8.300 nan 0.000 0.555 469 P HA -0.185 nan 4.420 nan 0.000 0.216 469 P C 0.705 178.009 177.300 0.006 0.000 1.150 469 P CA 1.759 64.814 63.100 -0.076 0.000 0.843 469 P CB -0.070 31.575 31.700 -0.091 0.000 0.787 470 D N -2.375 118.052 120.400 0.045 0.000 2.310 470 D HA 0.028 4.668 4.640 0.001 0.000 0.212 470 D C 1.552 177.871 176.300 0.032 0.000 0.965 470 D CA 1.290 55.313 54.000 0.038 0.000 0.879 470 D CB -0.736 40.090 40.800 0.043 0.000 0.921 470 D HN 0.277 nan 8.370 nan 0.000 0.510 471 G N -0.312 108.520 108.800 0.053 0.000 2.428 471 G HA2 -0.254 3.706 3.960 0.001 0.000 0.199 471 G HA3 -0.254 3.706 3.960 0.001 0.000 0.199 471 G C 0.266 175.198 174.900 0.054 0.000 1.005 471 G CA -0.379 44.753 45.100 0.053 0.000 0.671 471 G HN 0.286 nan 8.290 nan 0.000 0.485 472 R N 1.186 121.685 120.500 -0.001 0.000 2.537 472 R HA 0.411 4.751 4.340 0.001 0.000 0.281 472 R C 0.389 176.704 176.300 0.026 0.000 0.988 472 R CA 0.869 56.913 56.100 -0.093 0.000 1.077 472 R CB 0.481 30.564 30.300 -0.361 0.000 0.932 472 R HN 0.616 nan 8.270 nan 0.000 0.409 473 A N 5.873 128.713 122.820 0.032 0.000 2.508 473 A HA 0.299 4.619 4.320 0.001 0.000 0.336 473 A C -0.374 177.262 177.584 0.086 0.000 1.360 473 A CA -0.697 51.422 52.037 0.137 0.000 0.841 473 A CB 0.423 19.544 19.000 0.203 0.000 1.136 473 A HN 0.471 nan 8.150 nan 0.000 0.489 474 I N 2.557 123.203 120.570 0.127 0.000 2.312 474 I HA 0.278 4.448 4.170 0.001 0.000 0.291 474 I C 1.080 177.295 176.117 0.162 0.000 1.031 474 I CA -0.254 61.092 61.300 0.077 0.000 1.293 474 I CB 0.545 38.569 38.000 0.040 0.000 1.403 474 I HN 0.672 nan 8.210 nan 0.000 0.484 475 A N 7.573 130.472 122.820 0.133 0.000 2.548 475 A HA 0.290 4.610 4.320 0.001 0.000 0.247 475 A C 0.646 178.419 177.584 0.314 0.000 1.067 475 A CA 0.293 52.447 52.037 0.194 0.000 0.757 475 A CB 0.237 19.335 19.000 0.164 0.000 0.996 475 A HN 0.781 nan 8.150 nan 0.000 0.504 476 L N 2.145 123.519 121.223 0.251 0.000 2.591 476 L HA 0.292 4.633 4.340 0.001 0.000 0.197 476 L C 0.973 177.915 176.870 0.121 0.000 1.537 476 L CA -0.270 54.679 54.840 0.180 0.000 3.045 476 L CB -0.448 41.647 42.059 0.062 0.000 2.859 476 L HN 0.921 nan 8.230 nan 0.000 0.957 477 C N -0.560 118.765 119.300 0.041 0.000 2.351 477 C HA 0.714 5.174 4.460 0.001 0.000 0.359 477 C C -0.644 174.397 174.990 0.086 0.000 1.193 477 C CA -0.738 58.304 59.018 0.040 0.000 2.270 477 C CB 0.858 28.601 27.740 0.004 0.000 2.369 477 C HN 0.730 nan 8.230 nan 0.000 0.553 478 D N 0.106 120.565 120.400 0.098 0.000 2.615 478 D HA 0.672 5.313 4.640 0.001 0.000 0.267 478 D C -0.560 175.815 176.300 0.124 0.000 1.236 478 D CA -0.079 53.991 54.000 0.115 0.000 0.839 478 D CB 1.665 42.549 40.800 0.141 0.000 1.380 478 D HN 1.081 nan 8.370 nan 0.000 0.433 479 G N -0.704 108.166 108.800 0.116 0.000 2.606 479 G HA2 0.578 4.538 3.960 0.001 0.000 0.300 479 G HA3 0.578 4.538 3.960 0.001 0.000 0.300 479 G C -1.858 173.049 174.900 0.012 0.000 1.360 479 G CA -0.737 44.412 45.100 0.081 0.000 0.783 479 G HN 0.673 nan 8.290 nan 0.000 0.484 480 I N -0.803 119.690 120.570 -0.128 0.000 2.827 480 I HA 0.711 4.881 4.170 0.001 0.000 0.298 480 I C -1.545 174.490 176.117 -0.137 0.000 1.235 480 I CA -1.158 60.026 61.300 -0.193 0.000 1.021 480 I CB 2.348 40.028 38.000 -0.534 0.000 1.259 480 I HN 0.561 nan 8.210 nan 0.000 0.427 481 V N 7.033 126.922 119.914 -0.042 0.000 2.531 481 V HA 0.570 4.690 4.120 0.001 0.000 0.301 481 V C -0.690 175.423 176.094 0.032 0.000 1.034 481 V CA -0.536 61.768 62.300 0.006 0.000 0.865 481 V CB 1.818 33.671 31.823 0.049 0.000 0.995 481 V HN 0.823 nan 8.190 nan 0.000 0.424 482 R N 6.284 126.821 120.500 0.061 0.000 2.234 482 R HA 0.335 4.676 4.340 0.001 0.000 0.324 482 R C 1.143 177.494 176.300 0.086 0.000 1.054 482 R CA -0.533 55.627 56.100 0.100 0.000 0.912 482 R CB 1.014 31.463 30.300 0.249 0.000 1.030 482 R HN 0.784 nan 8.270 nan 0.000 0.455 483 M N 4.003 123.616 119.600 0.021 0.000 2.149 483 M HA -0.193 4.287 4.480 0.001 0.000 0.261 483 M C 1.851 178.077 176.300 -0.123 0.000 1.064 483 M CA 1.768 57.051 55.300 -0.028 0.000 1.102 483 M CB -0.794 31.788 32.600 -0.030 0.000 1.369 483 M HN 0.650 nan 8.290 nan 0.000 0.408 484 R N -0.638 119.742 120.500 -0.199 0.000 2.193 484 R HA -0.172 4.169 4.340 0.001 0.000 0.229 484 R C 0.722 176.797 176.300 -0.374 0.000 1.110 484 R CA 1.470 57.363 56.100 -0.345 0.000 0.988 484 R CB -0.700 29.305 30.300 -0.492 0.000 0.871 484 R HN 0.307 nan 8.270 nan 0.000 0.458 485 Y N 1.792 122.074 120.300 -0.029 0.000 2.571 485 Y HA 0.270 4.821 4.550 0.001 0.000 0.275 485 Y C 1.806 177.686 175.900 -0.034 0.000 1.179 485 Y CA -0.768 57.316 58.100 -0.026 0.000 1.242 485 Y CB 0.082 38.539 38.460 -0.005 0.000 1.126 485 Y HN 0.116 nan 8.280 nan 0.000 0.524 486 R N 0.048 120.578 120.500 0.050 0.000 2.127 486 R HA -0.122 4.218 4.340 0.001 0.000 0.238 486 R C 0.641 176.950 176.300 0.015 0.000 1.134 486 R CA 1.760 57.870 56.100 0.017 0.000 0.975 486 R CB -0.051 30.226 30.300 -0.038 0.000 0.865 486 R HN 0.201 nan 8.270 nan 0.000 0.447 487 E N 0.199 120.410 120.200 0.019 0.000 2.514 487 E HA 0.087 4.438 4.350 0.001 0.000 0.215 487 E C -0.168 176.445 176.600 0.022 0.000 0.946 487 E CA 0.381 56.790 56.400 0.015 0.000 1.038 487 E CB 1.462 31.169 29.700 0.012 0.000 1.069 487 E HN 0.263 nan 8.360 nan 0.000 0.503 488 T N -0.466 114.118 114.554 0.049 0.000 3.159 488 T HA 0.323 4.673 4.350 0.001 0.000 0.343 488 T C 0.132 174.906 174.700 0.123 0.000 1.364 488 T CA -0.500 61.630 62.100 0.049 0.000 1.102 488 T CB 0.614 69.500 68.868 0.029 0.000 1.263 488 T HN -0.081 nan 8.240 nan 0.000 0.477 489 L N 3.952 125.189 121.223 0.023 0.000 2.554 489 L HA 0.154 4.495 4.340 0.001 0.000 0.226 489 L C 1.896 178.712 176.870 -0.090 0.000 1.137 489 L CA 0.309 55.097 54.840 -0.088 0.000 0.863 489 L CB -0.053 41.823 42.059 -0.304 0.000 0.985 489 L HN 0.524 nan 8.230 nan 0.000 0.451 490 V N -1.694 118.207 119.914 -0.022 0.000 2.581 490 V HA 0.073 4.194 4.120 0.001 0.000 0.240 490 V C 0.627 176.751 176.094 0.049 0.000 1.054 490 V CA 0.708 62.992 62.300 -0.027 0.000 1.076 490 V CB -0.057 31.739 31.823 -0.045 0.000 0.748 490 V HN 0.394 nan 8.190 nan 0.000 0.474 491 N N 1.545 120.278 118.700 0.055 0.000 2.918 491 N HA 0.303 5.043 4.740 0.001 0.000 0.270 491 N C -2.796 172.726 175.510 0.020 0.000 1.536 491 N CA -0.876 52.196 53.050 0.037 0.000 0.877 491 N CB 1.122 39.619 38.487 0.017 0.000 1.190 491 N HN 0.366 nan 8.380 nan 0.000 0.492 492 P HA 0.099 nan 4.420 nan 0.000 0.271 492 P C -0.070 177.155 177.300 -0.125 0.000 1.218 492 P CA 0.132 63.148 63.100 -0.142 0.000 0.780 492 P CB 0.930 32.372 31.700 -0.429 0.000 0.901 493 T N -0.523 113.950 114.554 -0.135 0.000 2.903 493 T HA 0.602 4.953 4.350 0.001 0.000 0.299 493 T C 0.160 174.784 174.700 -0.127 0.000 1.093 493 T CA -0.956 61.084 62.100 -0.099 0.000 1.002 493 T CB 0.762 69.600 68.868 -0.051 0.000 1.127 493 T HN 0.149 nan 8.240 nan 0.000 0.488 494 L N 1.658 122.824 121.223 -0.096 0.000 2.475 494 L HA 0.616 4.956 4.340 0.001 0.000 0.253 494 L C 0.468 177.280 176.870 -0.096 0.000 1.198 494 L CA -1.226 53.555 54.840 -0.099 0.000 0.814 494 L CB 0.359 42.381 42.059 -0.061 0.000 1.134 494 L HN 0.731 nan 8.230 nan 0.000 0.478 495 I N -2.561 117.941 120.570 -0.113 0.000 2.750 495 I HA 0.450 4.621 4.170 0.001 0.000 0.308 495 I C -0.494 175.666 176.117 0.072 0.000 1.016 495 I CA -0.891 60.339 61.300 -0.117 0.000 1.098 495 I CB 1.539 39.280 38.000 -0.432 0.000 1.279 495 I HN 0.366 nan 8.210 nan 0.000 0.454 496 E N 3.064 123.409 120.200 0.242 0.000 2.259 496 E HA 0.377 4.728 4.350 0.001 0.000 0.281 496 E C -0.159 176.555 176.600 0.190 0.000 1.027 496 E CA -0.438 56.070 56.400 0.181 0.000 0.838 496 E CB 1.698 31.494 29.700 0.160 0.000 1.066 496 E HN 0.786 nan 8.360 nan 0.000 0.401 497 A N 1.808 124.697 122.820 0.116 0.000 2.540 497 A HA 0.354 4.674 4.320 0.001 0.000 0.239 497 A C 1.413 179.058 177.584 0.103 0.000 1.061 497 A CA 0.902 53.002 52.037 0.105 0.000 0.758 497 A CB -0.339 18.701 19.000 0.066 0.000 0.991 497 A HN 0.823 nan 8.150 nan 0.000 0.502 498 G N 1.021 109.890 108.800 0.115 0.000 2.284 498 G HA2 -0.293 3.667 3.960 0.001 0.000 0.261 498 G HA3 -0.293 3.667 3.960 0.001 0.000 0.261 498 G C 0.311 175.249 174.900 0.062 0.000 0.997 498 G CA 0.739 45.892 45.100 0.089 0.000 0.621 498 G HN 1.194 nan 8.290 nan 0.000 0.534 499 E N 0.630 120.872 120.200 0.072 0.000 2.338 499 E HA 0.480 4.831 4.350 0.001 0.000 0.272 499 E C 0.488 177.013 176.600 -0.126 0.000 1.029 499 E CA -0.743 55.614 56.400 -0.072 0.000 0.872 499 E CB 0.254 29.869 29.700 -0.141 0.000 1.015 499 E HN 0.371 nan 8.360 nan 0.000 0.417 500 I N 4.922 125.336 120.570 -0.260 0.000 2.416 500 I HA 0.111 4.282 4.170 0.001 0.000 0.288 500 I C -0.682 175.249 176.117 -0.308 0.000 1.051 500 I CA -0.210 60.954 61.300 -0.226 0.000 1.375 500 I CB 0.296 38.091 38.000 -0.342 0.000 1.407 500 I HN 0.515 nan 8.210 nan 0.000 0.516 501 Y N 4.093 124.383 120.300 -0.016 0.000 2.429 501 Y HA 0.321 4.871 4.550 0.001 0.000 0.342 501 Y C 0.193 175.993 175.900 -0.167 0.000 1.004 501 Y CA -0.833 57.237 58.100 -0.050 0.000 1.075 501 Y CB 1.520 39.953 38.460 -0.044 0.000 1.214 501 Y HN 0.471 nan 8.280 nan 0.000 0.455 502 E N 3.391 123.502 120.200 -0.148 0.000 2.089 502 E HA 0.443 4.793 4.350 0.001 0.000 0.284 502 E C -1.257 175.185 176.600 -0.263 0.000 1.023 502 E CA -0.564 55.524 56.400 -0.521 0.000 0.819 502 E CB 0.747 29.958 29.700 -0.815 0.000 1.076 502 E HN 0.542 nan 8.360 nan 0.000 0.396 503 V N 1.088 120.849 119.914 -0.254 0.000 2.667 503 V HA 0.866 4.986 4.120 0.001 0.000 0.308 503 V C -0.178 175.821 176.094 -0.158 0.000 1.048 503 V CA -0.972 61.239 62.300 -0.147 0.000 0.928 503 V CB 1.521 33.293 31.823 -0.086 0.000 1.004 503 V HN 0.653 nan 8.190 nan 0.000 0.444 504 A N 4.527 127.284 122.820 -0.104 0.000 2.301 504 A HA 0.858 5.179 4.320 0.001 0.000 0.312 504 A C -0.401 177.146 177.584 -0.062 0.000 1.182 504 A CA -0.665 51.314 52.037 -0.096 0.000 0.826 504 A CB 0.379 19.334 19.000 -0.076 0.000 1.134 504 A HN 0.900 nan 8.150 nan 0.000 0.501 505 I N 2.287 122.820 120.570 -0.061 0.000 2.382 505 I HA 0.180 4.350 4.170 0.001 0.000 0.286 505 I C -0.684 175.418 176.117 -0.025 0.000 1.002 505 I CA -0.599 60.682 61.300 -0.031 0.000 1.135 505 I CB 1.736 39.730 38.000 -0.010 0.000 1.288 505 I HN 0.613 nan 8.210 nan 0.000 0.448 506 D N 7.597 127.985 120.400 -0.021 0.000 2.338 506 D HA 0.196 4.836 4.640 0.001 0.000 0.255 506 D C 0.189 176.498 176.300 0.014 0.000 1.237 506 D CA 0.092 54.088 54.000 -0.007 0.000 0.883 506 D CB 1.030 41.821 40.800 -0.015 0.000 1.087 506 D HN 0.456 nan 8.370 nan 0.000 0.485 507 M N 4.445 124.064 119.600 0.031 0.000 2.560 507 M HA 0.175 4.656 4.480 0.001 0.000 0.297 507 M C 0.801 177.142 176.300 0.068 0.000 1.201 507 M CA -0.328 55.002 55.300 0.051 0.000 0.973 507 M CB 0.056 32.684 32.600 0.047 0.000 1.401 507 M HN 0.414 nan 8.290 nan 0.000 0.497 508 L N -0.968 120.299 121.223 0.074 0.000 6.453 508 L HA -0.337 4.004 4.340 0.001 0.000 0.053 508 L C 0.127 177.091 176.870 0.157 0.000 2.386 508 L CA 1.067 55.969 54.840 0.103 0.000 1.514 508 L CB -1.534 40.578 42.059 0.089 0.000 2.896 508 L HN 0.417 nan 8.230 nan 0.000 1.076 509 A N -1.210 121.717 122.820 0.178 0.000 2.612 509 A HA 0.793 5.113 4.320 0.001 0.000 0.293 509 A C -0.744 176.888 177.584 0.080 0.000 1.075 509 A CA 0.526 52.712 52.037 0.248 0.000 0.680 509 A CB 2.189 21.500 19.000 0.518 0.000 1.279 509 A HN 0.562 nan 8.150 nan 0.000 0.411 510 T N -0.542 113.906 114.554 -0.177 0.000 2.792 510 T HA 0.711 5.062 4.350 0.001 0.000 0.303 510 T C -1.426 172.594 174.700 -1.133 0.000 1.310 510 T CA 0.177 61.813 62.100 -0.772 0.000 1.007 510 T CB 1.657 70.249 68.868 -0.460 0.000 1.335 510 T HN 1.615 nan 8.240 nan 0.000 0.504 511 S N 2.044 116.818 115.700 -1.543 0.000 2.775 511 S HA 0.646 5.116 4.470 0.001 0.000 0.277 511 S C -1.466 172.751 174.600 -0.639 0.000 1.156 511 S CA -0.641 57.034 58.200 -0.874 0.000 1.081 511 S CB 0.050 62.843 63.200 -0.679 0.000 1.054 511 S HN 0.704 nan 8.310 nan 0.000 0.482 512 N N 2.743 121.181 118.700 -0.437 0.000 2.324 512 N HA 0.472 5.212 4.740 0.001 0.000 0.285 512 N C -1.632 173.669 175.510 -0.347 0.000 1.076 512 N CA -0.448 52.337 53.050 -0.441 0.000 0.864 512 N CB 1.901 40.018 38.487 -0.616 0.000 1.632 512 N HN 0.291 nan 8.380 nan 0.000 0.478 513 V N 3.812 123.528 119.914 -0.329 0.000 2.364 513 V HA 0.407 4.527 4.120 0.001 0.000 0.272 513 V C -0.477 175.411 176.094 -0.343 0.000 1.036 513 V CA -0.391 61.775 62.300 -0.223 0.000 0.880 513 V CB -0.151 31.559 31.823 -0.188 0.000 0.991 513 V HN 0.516 nan 8.190 nan 0.000 0.460 514 F N 5.636 125.448 119.950 -0.231 0.000 2.438 514 F HA 0.411 4.938 4.527 0.000 0.000 0.360 514 F C 0.459 176.065 175.800 -0.325 0.000 1.118 514 F CA -0.197 57.631 58.000 -0.287 0.000 1.164 514 F CB 0.275 39.181 39.000 -0.158 0.000 1.131 514 F HN 0.254 nan 8.300 nan 0.000 0.527 515 L N 5.293 126.225 121.223 -0.485 0.000 2.421 515 L HA 0.386 4.726 4.340 0.001 0.000 0.263 515 L C -2.071 174.749 176.870 -0.084 0.000 1.122 515 L CA -2.103 52.540 54.840 -0.329 0.000 0.804 515 L CB 0.574 42.359 42.059 -0.457 0.000 1.150 515 L HN 0.313 nan 8.230 nan 0.000 0.457 516 P HA 0.007 nan 4.420 nan 0.000 0.264 516 P C 0.579 177.956 177.300 0.128 0.000 1.183 516 P CA 1.039 64.171 63.100 0.054 0.000 0.763 516 P CB 0.586 32.303 31.700 0.028 0.000 0.807 517 G N 1.096 109.966 108.800 0.116 0.000 2.234 517 G HA2 -0.183 3.777 3.960 0.001 0.000 0.235 517 G HA3 -0.183 3.777 3.960 0.001 0.000 0.235 517 G C 0.205 175.147 174.900 0.070 0.000 0.997 517 G CA -0.335 44.820 45.100 0.091 0.000 0.623 517 G HN 0.645 nan 8.290 nan 0.000 0.514 518 H N 0.317 119.370 119.070 -0.027 0.000 2.517 518 H HA 0.669 5.226 4.556 0.001 0.000 0.346 518 H C 0.319 175.677 175.328 0.050 0.000 1.222 518 H CA -0.391 55.650 56.048 -0.012 0.000 1.314 518 H CB 0.985 30.705 29.762 -0.070 0.000 1.609 518 H HN 0.207 nan 8.280 nan 0.000 0.571 519 R N 0.695 121.318 120.500 0.206 0.000 2.740 519 R HA 0.404 4.744 4.340 0.001 0.000 0.282 519 R C -0.541 175.840 176.300 0.135 0.000 0.969 519 R CA -0.822 55.355 56.100 0.129 0.000 0.918 519 R CB 1.876 32.232 30.300 0.093 0.000 1.175 519 R HN 0.407 nan 8.270 nan 0.000 0.464 520 I N 3.009 123.527 120.570 -0.086 0.000 2.371 520 I HA 0.259 4.430 4.170 0.001 0.000 0.290 520 I C 0.192 176.272 176.117 -0.063 0.000 1.028 520 I CA 0.130 61.253 61.300 -0.295 0.000 1.345 520 I CB 0.929 38.479 38.000 -0.750 0.000 1.407 520 I HN 0.398 nan 8.210 nan 0.000 0.501 521 M N 7.230 126.856 119.600 0.044 0.000 2.530 521 M HA 0.607 5.088 4.480 0.001 0.000 0.307 521 M C -1.972 174.392 176.300 0.106 0.000 1.161 521 M CA -0.705 54.650 55.300 0.092 0.000 0.903 521 M CB 2.519 35.194 32.600 0.126 0.000 1.711 521 M HN 0.383 nan 8.290 nan 0.000 0.451 522 V N 4.289 124.291 119.914 0.147 0.000 2.540 522 V HA 0.463 4.583 4.120 0.001 0.000 0.302 522 V C -1.074 175.156 176.094 0.227 0.000 1.035 522 V CA -0.351 62.050 62.300 0.167 0.000 0.873 522 V CB 2.316 34.220 31.823 0.134 0.000 0.992 522 V HN 0.962 nan 8.190 nan 0.000 0.428 523 Q N 4.163 124.071 119.800 0.180 0.000 2.257 523 Q HA 0.644 4.984 4.340 0.001 0.000 0.255 523 Q C -1.215 174.892 176.000 0.179 0.000 0.920 523 Q CA -0.525 55.376 55.803 0.163 0.000 0.927 523 Q CB 2.319 31.131 28.738 0.123 0.000 1.229 523 Q HN 0.612 nan 8.270 nan 0.000 0.433 524 V N 1.644 121.683 119.914 0.208 0.000 2.540 524 V HA 0.608 4.729 4.120 0.001 0.000 0.302 524 V C -0.284 175.872 176.094 0.103 0.000 1.035 524 V CA -0.270 62.160 62.300 0.218 0.000 0.873 524 V CB 1.691 33.720 31.823 0.343 0.000 0.992 524 V HN 0.825 nan 8.190 nan 0.000 0.428 525 S N 2.580 118.333 115.700 0.089 0.000 3.070 525 S HA 0.570 5.040 4.470 0.001 0.000 0.320 525 S C 0.169 174.789 174.600 0.034 0.000 1.215 525 S CA 0.116 58.264 58.200 -0.088 0.000 0.956 525 S CB 2.068 65.178 63.200 -0.150 0.000 1.337 525 S HN 0.585 nan 8.310 nan 0.000 0.639 526 S N 0.647 116.251 115.700 -0.161 0.000 2.937 526 S HA 0.450 4.920 4.470 0.001 0.000 0.252 526 S C -0.930 173.274 174.600 -0.659 0.000 1.022 526 S CA -0.003 57.936 58.200 -0.436 0.000 1.079 526 S CB 0.466 63.333 63.200 -0.555 0.000 1.035 526 S HN 0.877 nan 8.310 nan 0.000 0.594 527 S N 1.382 116.879 115.700 -0.338 0.000 2.565 527 S HA 0.721 5.191 4.470 0.001 0.000 0.269 527 S C -1.480 173.139 174.600 0.031 0.000 1.153 527 S CA -0.799 57.296 58.200 -0.175 0.000 0.835 527 S CB 1.804 64.912 63.200 -0.155 0.000 1.122 527 S HN 0.044 nan 8.310 nan 0.000 0.462 528 N N 0.362 119.154 118.700 0.154 0.000 3.153 528 N HA 0.300 5.040 4.740 0.001 0.000 0.208 528 N C -2.162 173.470 175.510 0.204 0.000 1.462 528 N CA -0.278 52.881 53.050 0.182 0.000 0.754 528 N CB 0.497 39.118 38.487 0.224 0.000 1.558 528 N HN 0.680 nan 8.380 nan 0.000 0.605 529 F N 3.777 123.742 119.950 0.027 0.000 2.495 529 F HA 0.693 5.221 4.527 0.001 0.000 0.327 529 F C -1.742 174.012 175.800 -0.077 0.000 1.103 529 F CA -2.142 55.852 58.000 -0.010 0.000 0.949 529 F CB 2.176 41.186 39.000 0.018 0.000 1.142 529 F HN 0.150 nan 8.300 nan 0.000 0.457 530 P HA 0.031 nan 4.420 nan 0.000 0.257 530 P C 0.682 177.675 177.300 -0.512 0.000 1.325 530 P CA 0.268 62.663 63.100 -1.175 0.000 0.850 530 P CB 0.389 31.308 31.700 -1.301 0.000 1.324 531 K N 0.777 120.965 120.400 -0.354 0.000 2.059 531 K HA -0.153 4.168 4.320 0.001 0.000 0.212 531 K C 0.033 176.246 176.600 -0.646 0.000 1.050 531 K CA 1.565 57.570 56.287 -0.470 0.000 0.927 531 K CB -0.616 31.583 32.500 -0.501 0.000 0.714 531 K HN 0.096 nan 8.250 nan 0.000 0.447 532 Y N 0.847 121.119 120.300 -0.046 0.000 2.485 532 Y HA 0.220 4.770 4.550 0.000 0.000 0.345 532 Y C -0.332 175.626 175.900 0.097 0.000 0.998 532 Y CA -2.160 55.935 58.100 -0.008 0.000 1.059 532 Y CB 1.107 39.572 38.460 0.010 0.000 1.234 532 Y HN 0.149 nan 8.280 nan 0.000 0.461 533 D N 1.404 121.966 120.400 0.269 0.000 2.368 533 D HA 0.096 4.736 4.640 0.001 0.000 0.240 533 D C -0.541 175.942 176.300 0.306 0.000 1.169 533 D CA -0.402 53.791 54.000 0.321 0.000 0.906 533 D CB 0.772 41.693 40.800 0.202 0.000 1.187 533 D HN 0.510 nan 8.370 nan 0.000 0.435 534 R N 1.026 121.683 120.500 0.261 0.000 2.390 534 R HA 0.194 4.534 4.340 0.001 0.000 0.291 534 R C 0.575 176.974 176.300 0.166 0.000 1.070 534 R CA -0.739 55.468 56.100 0.177 0.000 1.014 534 R CB 0.395 30.718 30.300 0.040 0.000 1.007 534 R HN 0.437 nan 8.270 nan 0.000 0.466 535 N N 0.868 119.685 118.700 0.195 0.000 2.497 535 N HA -0.058 4.682 4.740 0.001 0.000 0.268 535 N C 0.583 176.198 175.510 0.175 0.000 1.171 535 N CA 0.157 53.309 53.050 0.171 0.000 0.948 535 N CB 1.111 39.675 38.487 0.129 0.000 1.069 535 N HN 0.651 nan 8.380 nan 0.000 0.460 536 S N 2.355 118.105 115.700 0.083 0.000 2.522 536 S HA -0.040 4.430 4.470 0.001 0.000 0.227 536 S C 0.380 174.977 174.600 -0.004 0.000 0.986 536 S CA 0.041 58.253 58.200 0.020 0.000 0.929 536 S CB -0.148 63.060 63.200 0.013 0.000 0.769 536 S HN 0.732 nan 8.310 nan 0.000 0.529 537 N N 0.966 119.688 118.700 0.037 0.000 2.741 537 N HA -0.139 4.601 4.740 0.001 0.000 0.250 537 N C 0.644 176.152 175.510 -0.004 0.000 1.115 537 N CA 1.531 54.593 53.050 0.019 0.000 0.724 537 N CB -2.118 36.361 38.487 -0.013 0.000 1.090 537 N HN 0.871 nan 8.380 nan 0.000 0.558 538 T N -5.805 108.747 114.554 -0.003 0.000 2.955 538 T HA 0.419 4.770 4.350 0.001 0.000 0.251 538 T C 1.425 176.118 174.700 -0.012 0.000 1.002 538 T CA 1.204 63.298 62.100 -0.009 0.000 0.970 538 T CB 0.853 69.715 68.868 -0.010 0.000 1.091 538 T HN 0.698 nan 8.240 nan 0.000 0.495 539 G N 1.057 109.848 108.800 -0.015 0.000 2.179 539 G HA2 -0.084 3.877 3.960 0.001 0.000 0.260 539 G HA3 -0.084 3.877 3.960 0.001 0.000 0.260 539 G C 0.604 175.491 174.900 -0.022 0.000 0.977 539 G CA 0.116 45.198 45.100 -0.030 0.000 0.641 539 G HN 1.013 nan 8.290 nan 0.000 0.533 540 G N -1.007 107.788 108.800 -0.007 0.000 2.494 540 G HA2 0.529 4.489 3.960 0.001 0.000 0.270 540 G HA3 0.529 4.489 3.960 0.001 0.000 0.270 540 G C 0.307 175.216 174.900 0.013 0.000 1.423 540 G CA 0.155 45.255 45.100 0.000 0.000 1.055 540 G HN 0.933 nan 8.290 nan 0.000 0.536 541 V N 1.521 121.448 119.914 0.020 0.000 2.338 541 V HA 0.078 4.198 4.120 0.001 0.000 0.255 541 V C 1.580 177.703 176.094 0.049 0.000 1.082 541 V CA -0.081 62.242 62.300 0.039 0.000 0.951 541 V CB 0.067 31.908 31.823 0.030 0.000 1.102 541 V HN 0.583 nan 8.190 nan 0.000 0.489 542 I N 3.592 124.205 120.570 0.070 0.000 2.145 542 I HA -0.306 3.864 4.170 0.001 0.000 0.244 542 I C 2.499 178.657 176.117 0.069 0.000 1.075 542 I CA 2.139 63.483 61.300 0.074 0.000 1.332 542 I CB -0.256 37.807 38.000 0.106 0.000 1.033 542 I HN 0.672 nan 8.210 nan 0.000 0.410 543 A N -0.030 122.839 122.820 0.082 0.000 2.172 543 A HA -0.082 4.239 4.320 0.001 0.000 0.216 543 A C 2.105 179.715 177.584 0.044 0.000 1.154 543 A CA 1.063 53.141 52.037 0.069 0.000 0.701 543 A CB -0.284 18.765 19.000 0.081 0.000 0.789 543 A HN 0.280 nan 8.150 nan 0.000 0.465 544 R N 0.212 120.734 120.500 0.036 0.000 2.362 544 R HA 0.178 4.518 4.340 0.001 0.000 0.227 544 R C -0.357 175.952 176.300 0.016 0.000 0.905 544 R CA 0.104 56.217 56.100 0.021 0.000 1.067 544 R CB 0.097 30.407 30.300 0.015 0.000 1.078 544 R HN 0.630 nan 8.270 nan 0.000 0.516 545 E N 1.442 121.652 120.200 0.018 0.000 2.301 545 E HA 0.132 4.482 4.350 0.001 0.000 0.275 545 E C -0.157 176.444 176.600 0.002 0.000 1.030 545 E CA -0.369 56.036 56.400 0.008 0.000 0.852 545 E CB 1.051 30.755 29.700 0.006 0.000 1.060 545 E HN -0.123 nan 8.360 nan 0.000 0.401 546 Q N 2.121 121.918 119.800 -0.005 0.000 2.288 546 Q HA 0.038 4.379 4.340 0.001 0.000 0.254 546 Q C 0.848 176.836 176.000 -0.021 0.000 0.932 546 Q CA -0.161 55.636 55.803 -0.010 0.000 0.902 546 Q CB 1.575 30.307 28.738 -0.010 0.000 1.203 546 Q HN 0.519 nan 8.270 nan 0.000 0.415 547 L N 3.680 124.886 121.223 -0.028 0.000 2.021 547 L HA -0.292 4.048 4.340 0.001 0.000 0.215 547 L C 2.125 178.967 176.870 -0.047 0.000 1.074 547 L CA 2.426 57.239 54.840 -0.046 0.000 0.760 547 L CB -0.482 41.545 42.059 -0.053 0.000 0.889 547 L HN 0.832 nan 8.230 nan 0.000 0.433 548 E N -0.371 119.807 120.200 -0.036 0.000 2.171 548 E HA -0.283 4.068 4.350 0.001 0.000 0.197 548 E C 1.945 178.525 176.600 -0.033 0.000 0.997 548 E CA 1.897 58.277 56.400 -0.033 0.000 0.810 548 E CB -0.193 29.492 29.700 -0.024 0.000 0.738 548 E HN 0.690 nan 8.360 nan 0.000 0.467 549 E N -0.553 119.630 120.200 -0.029 0.000 2.481 549 E HA 0.017 4.367 4.350 0.001 0.000 0.195 549 E C 0.163 176.744 176.600 -0.032 0.000 1.047 549 E CA -0.069 56.316 56.400 -0.026 0.000 0.867 549 E CB 0.108 29.797 29.700 -0.018 0.000 0.858 549 E HN 0.371 nan 8.360 nan 0.000 0.513 550 M N 0.080 119.653 119.600 -0.045 0.000 2.227 550 M HA 0.174 4.655 4.480 0.001 0.000 0.316 550 M C -0.174 176.082 176.300 -0.073 0.000 1.144 550 M CA -0.343 54.922 55.300 -0.058 0.000 1.121 550 M CB 1.033 33.589 32.600 -0.074 0.000 1.440 550 M HN -0.037 nan 8.290 nan 0.000 0.473 551 C N 0.347 119.597 119.300 -0.083 0.000 2.454 551 C HA 0.647 5.107 4.460 0.001 0.000 0.336 551 C C 0.706 175.607 174.990 -0.150 0.000 1.189 551 C CA -0.877 58.087 59.018 -0.090 0.000 1.877 551 C CB 1.417 29.122 27.740 -0.058 0.000 2.348 551 C HN 0.888 nan 8.230 nan 0.000 0.508 552 T N 0.071 114.541 114.554 -0.140 0.000 2.882 552 T HA 0.656 5.007 4.350 0.001 0.000 0.287 552 T C -0.327 174.308 174.700 -0.108 0.000 1.014 552 T CA -0.347 61.647 62.100 -0.177 0.000 1.049 552 T CB 1.067 69.862 68.868 -0.123 0.000 1.001 552 T HN 1.146 nan 8.240 nan 0.000 0.525 553 A N 1.501 124.271 122.820 -0.084 0.000 2.393 553 A HA 0.641 4.962 4.320 0.001 0.000 0.306 553 A C -0.483 177.103 177.584 0.004 0.000 1.050 553 A CA -0.916 51.116 52.037 -0.008 0.000 0.724 553 A CB 1.667 20.692 19.000 0.042 0.000 1.248 553 A HN 0.842 nan 8.150 nan 0.000 0.424 554 V N 3.429 123.338 119.914 -0.009 0.000 2.372 554 V HA 0.179 4.299 4.120 0.001 0.000 0.261 554 V C 0.199 176.253 176.094 -0.067 0.000 1.055 554 V CA -0.100 62.178 62.300 -0.036 0.000 0.930 554 V CB -0.041 31.773 31.823 -0.015 0.000 1.031 554 V HN 0.887 nan 8.190 nan 0.000 0.479 555 N N 4.299 122.865 118.700 -0.224 0.000 2.417 555 N HA 0.704 5.445 4.740 0.001 0.000 0.300 555 N C -0.521 174.815 175.510 -0.290 0.000 1.102 555 N CA -0.912 52.012 53.050 -0.211 0.000 0.886 555 N CB 2.027 40.326 38.487 -0.314 0.000 1.203 555 N HN 0.554 nan 8.380 nan 0.000 0.496 556 R N 2.463 122.941 120.500 -0.036 0.000 2.574 556 R HA 0.408 4.749 4.340 0.001 0.000 0.288 556 R C -1.568 174.639 176.300 -0.156 0.000 1.004 556 R CA -0.605 55.409 56.100 -0.144 0.000 0.895 556 R CB 0.877 31.057 30.300 -0.201 0.000 1.191 556 R HN 0.451 nan 8.270 nan 0.000 0.444 557 I N 4.967 125.459 120.570 -0.130 0.000 2.321 557 I HA 0.297 4.467 4.170 0.001 0.000 0.291 557 I C 0.041 176.048 176.117 -0.182 0.000 0.998 557 I CA -0.505 60.754 61.300 -0.067 0.000 1.227 557 I CB 1.163 39.242 38.000 0.132 0.000 1.368 557 I HN 0.596 nan 8.210 nan 0.000 0.466 558 H N 7.164 126.245 119.070 0.018 0.000 2.458 558 H HA 0.614 5.170 4.556 0.001 0.000 0.330 558 H C -0.161 175.195 175.328 0.047 0.000 1.111 558 H CA -0.636 55.397 56.048 -0.025 0.000 1.245 558 H CB 1.779 31.411 29.762 -0.217 0.000 1.456 558 H HN 0.529 nan 8.280 nan 0.000 0.488 559 R N 1.113 121.696 120.500 0.138 0.000 2.626 559 R HA 0.699 5.039 4.340 0.001 0.000 0.274 559 R C -0.678 175.672 176.300 0.085 0.000 1.031 559 R CA -1.058 55.111 56.100 0.116 0.000 0.898 559 R CB 2.270 32.628 30.300 0.097 0.000 1.222 559 R HN 0.841 nan 8.270 nan 0.000 0.455 560 G N 1.346 110.169 108.800 0.038 0.000 2.362 560 G HA2 0.094 4.055 3.960 0.001 0.000 0.288 560 G HA3 0.094 4.055 3.960 0.001 0.000 0.288 560 G C -2.711 172.129 174.900 -0.099 0.000 1.305 560 G CA -0.835 44.257 45.100 -0.014 0.000 0.910 560 G HN 0.326 nan 8.290 nan 0.000 0.518 561 P HA 0.084 nan 4.420 nan 0.000 0.219 561 P C 1.263 178.418 177.300 -0.242 0.000 1.150 561 P CA 1.209 64.201 63.100 -0.179 0.000 0.814 561 P CB 0.272 31.887 31.700 -0.142 0.000 0.787 562 E N -1.412 118.604 120.200 -0.307 0.000 2.385 562 E HA -0.022 4.328 4.350 0.001 0.000 0.194 562 E C 0.058 176.064 176.600 -0.990 0.000 1.013 562 E CA 0.703 56.774 56.400 -0.549 0.000 0.866 562 E CB -0.239 29.118 29.700 -0.572 0.000 0.832 562 E HN 0.528 nan 8.360 nan 0.000 0.500 563 H N 0.331 119.076 119.070 -0.541 0.000 2.336 563 H HA 0.174 4.731 4.556 0.001 0.000 0.230 563 H C -2.253 172.710 175.328 -0.608 0.000 1.426 563 H CA -1.667 53.709 56.048 -1.120 0.000 1.359 563 H CB 0.653 29.983 29.762 -0.719 0.000 1.555 563 H HN -0.066 nan 8.280 nan 0.000 0.512 564 P HA 0.025 nan 4.420 nan 0.000 0.235 564 P C -0.224 177.463 177.300 0.645 0.000 1.765 564 P CA -0.090 63.135 63.100 0.208 0.000 1.034 564 P CB -0.009 31.787 31.700 0.161 0.000 1.984 565 S N 3.105 119.126 115.700 0.536 0.000 2.552 565 S HA 0.141 4.611 4.470 0.001 0.000 0.289 565 S C 0.516 175.317 174.600 0.335 0.000 1.304 565 S CA 0.247 58.702 58.200 0.425 0.000 1.063 565 S CB -0.233 63.109 63.200 0.237 0.000 0.848 565 S HN 0.586 nan 8.310 nan 0.000 0.499 566 H N 0.190 119.293 119.070 0.054 0.000 3.003 566 H HA 0.486 5.042 4.556 0.001 0.000 0.327 566 H C -1.347 173.935 175.328 -0.077 0.000 1.353 566 H CA -0.970 55.025 56.048 -0.089 0.000 1.142 566 H CB 0.668 30.208 29.762 -0.371 0.000 1.864 566 H HN 0.553 nan 8.280 nan 0.000 0.529 567 I N 1.992 122.569 120.570 0.012 0.000 2.392 567 I HA 0.337 4.507 4.170 0.001 0.000 0.295 567 I C -0.721 175.457 176.117 0.102 0.000 0.985 567 I CA -1.030 60.265 61.300 -0.009 0.000 1.221 567 I CB 1.170 39.158 38.000 -0.020 0.000 1.366 567 I HN 0.385 nan 8.210 nan 0.000 0.467 568 V N 8.275 128.242 119.914 0.089 0.000 2.364 568 V HA 0.309 4.429 4.120 0.001 0.000 0.272 568 V C 0.086 176.247 176.094 0.112 0.000 1.036 568 V CA -0.446 61.946 62.300 0.153 0.000 0.880 568 V CB 0.851 32.767 31.823 0.155 0.000 0.991 568 V HN 0.502 nan 8.190 nan 0.000 0.460 569 L N 7.843 129.129 121.223 0.106 0.000 2.307 569 L HA 0.473 4.813 4.340 0.001 0.000 0.284 569 L C -2.168 174.713 176.870 0.018 0.000 1.023 569 L CA -1.817 53.022 54.840 -0.002 0.000 0.810 569 L CB 2.447 44.375 42.059 -0.218 0.000 1.231 569 L HN 0.406 nan 8.230 nan 0.000 0.423 570 P HA 0.116 nan 4.420 nan 0.000 0.260 570 P C -0.536 176.644 177.300 -0.199 0.000 1.651 570 P CA -0.209 62.755 63.100 -0.227 0.000 1.139 570 P CB 0.055 31.625 31.700 -0.216 0.000 1.756 571 I N 5.136 125.610 120.570 -0.161 0.000 2.441 571 I HA 0.247 4.417 4.170 0.001 0.000 0.287 571 I C 0.869 176.914 176.117 -0.121 0.000 1.049 571 I CA -0.469 60.777 61.300 -0.090 0.000 1.381 571 I CB 0.599 38.595 38.000 -0.007 0.000 1.409 571 I HN 0.207 nan 8.210 nan 0.000 0.523 572 I N 5.971 126.488 120.570 -0.090 0.000 2.433 572 I HA 0.321 4.492 4.170 0.001 0.000 0.292 572 I C -0.019 176.067 176.117 -0.051 0.000 1.001 572 I CA -0.934 60.316 61.300 -0.083 0.000 1.119 572 I CB 1.671 39.622 38.000 -0.083 0.000 1.289 572 I HN 0.482 nan 8.210 nan 0.000 0.438 573 K N 7.637 128.011 120.400 -0.044 0.000 2.559 573 K HA 0.598 4.918 4.320 0.001 0.000 0.249 573 K C -0.719 175.866 176.600 -0.026 0.000 0.958 573 K CA -0.512 55.758 56.287 -0.029 0.000 0.901 573 K CB 1.316 33.803 32.500 -0.022 0.000 1.124 573 K HN 0.758 nan 8.250 nan 0.000 0.437 574 R N 0.000 120.486 120.500 -0.023 0.000 2.786 574 R HA 0.000 4.340 4.340 0.001 0.000 0.208 574 R CA 0.000 56.089 56.100 -0.018 0.000 0.921 574 R CB 0.000 30.289 30.300 -0.018 0.000 0.687 574 R HN 0.000 nan 8.270 nan 0.000 0.535