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 1l7r_1_A DATA FIRST_RESID 2 DATA SEQUENCE VDGNYSVASN VMVPMRDGVR LAVDLYRPDA DGPVPVLLVR NPFDKFDVFA DATA SEQUENCE WSTQSTNWLE FVRDGYAVVI QDTRGLFASE GEFVPHVDDE ADAEDTLSWI DATA SEQUENCE LEQAWCDGNV GMFGVSYLGV TQWQAAVSGV GGLKAIAPSM ASADLYRAPW DATA SEQUENCE YGPGGALSVE ALLGWSALIG TGLITSRSDA RPEDAADFVQ LAAILNDVAG DATA SEQUENCE AASVTPLAEQ PLLGRLIPWV IDQVVDHPDN DESWQSISLF ERLGGLATPA DATA SEQUENCE LITAGWYDGF VGESLRTFVA VKDNADARLV VGPWSHSNLT GRNADRKFGI DATA SEQUENCE AATYPIQEAT TMHKAFFDRH LRGETDALAG VPKVRLFVMG IDEWRDETDW DATA SEQUENCE PLPDTAYTPF YLGGSGAANT STGGGTLSTS ISGTESADTY LYDPADPVPS DATA SEQUENCE LGGTLLFHNG DNGPADQRPI HDRDDVLCYS TEVLTDPVEV TGTVSARLFV DATA SEQUENCE SSSAVDTDFT AKLVDVFPDG RAIALCDGIV RMRYRETLVN PTLIEAGEIY DATA SEQUENCE EVAIDMLATS NVFLPGHRIM VQVSSSNFPK YDRNSNTGGV IAREQLEEMC DATA SEQUENCE TAVNRIHRGP EHPSHIVLPI 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 0.047 0.000 1.182 2 V CA 0.000 62.319 62.300 0.031 0.000 1.235 2 V CB 0.000 31.836 31.823 0.022 0.000 1.184 3 D N 3.402 123.828 120.400 0.045 0.000 2.493 3 D HA 0.397 5.037 4.640 0.001 0.000 0.240 3 D C 1.285 177.628 176.300 0.070 0.000 1.142 3 D CA 2.053 56.087 54.000 0.057 0.000 0.872 3 D CB 1.486 42.313 40.800 0.045 0.000 1.173 3 D HN 1.234 nan 8.370 nan 0.000 0.467 4 G N 2.390 111.251 108.800 0.101 0.000 2.213 4 G HA2 -0.249 3.711 3.960 0.001 0.000 0.236 4 G HA3 -0.249 3.711 3.960 0.001 0.000 0.236 4 G C 0.392 175.400 174.900 0.180 0.000 0.991 4 G CA -0.319 44.855 45.100 0.125 0.000 0.629 4 G HN 0.500 nan 8.290 nan 0.000 0.517 5 N N 0.202 118.992 118.700 0.150 0.000 2.489 5 N HA 0.771 5.511 4.740 0.001 0.000 0.284 5 N C -0.282 175.371 175.510 0.239 0.000 1.158 5 N CA 0.190 53.312 53.050 0.120 0.000 0.965 5 N CB 1.187 39.691 38.487 0.029 0.000 1.195 5 N HN 0.706 nan 8.380 nan 0.000 0.506 6 Y N -2.806 117.520 120.300 0.044 0.000 2.725 6 Y HA 0.707 5.257 4.550 0.000 0.000 0.333 6 Y C -0.883 175.036 175.900 0.030 0.000 1.242 6 Y CA -1.339 56.793 58.100 0.052 0.000 1.059 6 Y CB 0.547 39.068 38.460 0.102 0.000 1.306 6 Y HN 0.454 nan 8.280 nan 0.000 0.454 7 S N 0.192 116.004 115.700 0.187 0.000 2.599 7 S HA 0.894 5.364 4.470 0.001 0.000 0.287 7 S C -1.809 172.843 174.600 0.088 0.000 1.105 7 S CA -0.748 57.478 58.200 0.043 0.000 0.899 7 S CB 1.839 65.034 63.200 -0.008 0.000 1.100 7 S HN 0.915 nan 8.310 nan 0.000 0.482 8 V N 1.065 120.961 119.914 -0.029 0.000 2.525 8 V HA 0.789 4.909 4.120 0.001 0.000 0.299 8 V C -0.100 175.911 176.094 -0.138 0.000 1.034 8 V CA -0.581 61.620 62.300 -0.165 0.000 0.863 8 V CB 1.206 32.886 31.823 -0.238 0.000 0.999 8 V HN 1.245 nan 8.190 nan 0.000 0.423 9 A N 3.494 126.225 122.820 -0.147 0.000 2.271 9 A HA 0.798 5.119 4.320 0.001 0.000 0.317 9 A C 0.124 177.681 177.584 -0.044 0.000 1.245 9 A CA -0.336 51.660 52.037 -0.069 0.000 0.857 9 A CB 0.866 19.838 19.000 -0.047 0.000 1.175 9 A HN 0.705 nan 8.150 nan 0.000 0.512 10 S N 2.296 118.007 115.700 0.018 0.000 2.541 10 S HA 0.401 4.871 4.470 0.001 0.000 0.283 10 S C 0.230 174.878 174.600 0.079 0.000 1.196 10 S CA -0.595 57.667 58.200 0.103 0.000 1.062 10 S CB 0.481 63.822 63.200 0.235 0.000 1.009 10 S HN 0.756 nan 8.310 nan 0.000 0.502 11 N N 0.451 119.169 118.700 0.030 0.000 2.714 11 N HA -0.131 4.609 4.740 0.001 0.000 0.253 11 N C -0.865 174.633 175.510 -0.019 0.000 1.024 11 N CA 0.272 53.309 53.050 -0.021 0.000 0.726 11 N CB -1.375 37.131 38.487 0.032 0.000 0.908 11 N HN 0.359 nan 8.380 nan 0.000 0.542 12 V N 1.644 121.543 119.914 -0.025 0.000 2.455 12 V HA 0.148 4.268 4.120 0.001 0.000 0.273 12 V C 0.945 176.968 176.094 -0.118 0.000 1.045 12 V CA -0.093 62.199 62.300 -0.013 0.000 0.976 12 V CB 1.002 32.868 31.823 0.071 0.000 0.993 12 V HN 0.153 nan 8.190 nan 0.000 0.475 13 M N 5.905 125.440 119.600 -0.108 0.000 2.105 13 M HA 0.329 4.809 4.480 0.001 0.000 0.350 13 M C -0.501 175.628 176.300 -0.285 0.000 1.308 13 M CA -0.270 54.931 55.300 -0.165 0.000 1.108 13 M CB 0.775 33.320 32.600 -0.091 0.000 1.622 13 M HN 0.297 nan 8.290 nan 0.000 0.468 14 V N 7.284 126.940 119.914 -0.431 0.000 2.350 14 V HA 0.351 4.471 4.120 0.001 0.000 0.276 14 V C -1.924 173.962 176.094 -0.346 0.000 1.028 14 V CA -1.487 60.417 62.300 -0.660 0.000 0.860 14 V CB 1.361 32.600 31.823 -0.973 0.000 0.990 14 V HN 0.618 nan 8.190 nan 0.000 0.453 15 P HA 0.244 nan 4.420 nan 0.000 0.276 15 P C -0.536 176.720 177.300 -0.073 0.000 1.235 15 P CA -0.285 62.752 63.100 -0.105 0.000 0.772 15 P CB 1.045 32.720 31.700 -0.042 0.000 0.871 16 M N 3.218 122.785 119.600 -0.055 0.000 2.219 16 M HA 0.233 4.713 4.480 0.001 0.000 0.280 16 M C 2.181 178.476 176.300 -0.008 0.000 1.189 16 M CA -0.542 54.740 55.300 -0.029 0.000 1.010 16 M CB 0.266 32.848 32.600 -0.031 0.000 1.422 16 M HN 0.408 nan 8.290 nan 0.000 0.504 17 R N 0.727 121.228 120.500 0.001 0.000 2.152 17 R HA -0.150 4.190 4.340 0.001 0.000 0.232 17 R C 0.579 176.880 176.300 0.002 0.000 1.117 17 R CA 1.914 58.018 56.100 0.007 0.000 0.981 17 R CB -0.572 29.733 30.300 0.010 0.000 0.870 17 R HN 0.684 nan 8.270 nan 0.000 0.451 18 D N -0.618 119.779 120.400 -0.004 0.000 2.328 18 D HA 0.078 4.719 4.640 0.001 0.000 0.226 18 D C 1.143 177.438 176.300 -0.009 0.000 1.066 18 D CA 0.652 54.649 54.000 -0.006 0.000 0.861 18 D CB 0.463 41.257 40.800 -0.009 0.000 0.912 18 D HN 0.467 nan 8.370 nan 0.000 0.521 19 G N -0.179 108.615 108.800 -0.010 0.000 2.241 19 G HA2 -0.278 3.683 3.960 0.001 0.000 0.244 19 G HA3 -0.278 3.683 3.960 0.001 0.000 0.244 19 G C 0.261 175.148 174.900 -0.022 0.000 0.998 19 G CA 0.151 45.243 45.100 -0.012 0.000 0.621 19 G HN 0.371 nan 8.290 nan 0.000 0.519 20 V N 2.128 122.027 119.914 -0.026 0.000 2.637 20 V HA 0.409 4.529 4.120 0.001 0.000 0.296 20 V C 1.007 177.070 176.094 -0.051 0.000 1.046 20 V CA 0.081 62.361 62.300 -0.034 0.000 1.066 20 V CB 1.092 32.896 31.823 -0.031 0.000 0.968 20 V HN 0.401 nan 8.190 nan 0.000 0.483 21 R N 4.887 125.350 120.500 -0.061 0.000 2.346 21 R HA 0.626 4.967 4.340 0.001 0.000 0.311 21 R C -1.049 175.191 176.300 -0.101 0.000 0.983 21 R CA -0.635 55.410 56.100 -0.092 0.000 0.880 21 R CB 1.314 31.561 30.300 -0.088 0.000 1.100 21 R HN 0.565 nan 8.270 nan 0.000 0.453 22 L N 2.089 123.231 121.223 -0.136 0.000 2.322 22 L HA 0.544 4.884 4.340 0.001 0.000 0.279 22 L C 0.301 177.071 176.870 -0.167 0.000 1.036 22 L CA -0.969 53.792 54.840 -0.131 0.000 0.807 22 L CB 1.757 43.743 42.059 -0.122 0.000 1.226 22 L HN 0.663 nan 8.230 nan 0.000 0.433 23 A N 3.099 125.834 122.820 -0.143 0.000 2.331 23 A HA 0.653 4.974 4.320 0.001 0.000 0.283 23 A C -0.320 177.161 177.584 -0.172 0.000 1.142 23 A CA -0.416 51.526 52.037 -0.158 0.000 0.812 23 A CB 0.927 19.836 19.000 -0.151 0.000 1.074 23 A HN 0.576 nan 8.150 nan 0.000 0.497 24 V N -0.470 119.348 119.914 -0.160 0.000 3.040 24 V HA 0.765 4.885 4.120 0.001 0.000 0.312 24 V C -1.360 174.698 176.094 -0.061 0.000 1.115 24 V CA -1.070 61.166 62.300 -0.107 0.000 0.998 24 V CB 2.245 34.025 31.823 -0.073 0.000 1.042 24 V HN 0.679 nan 8.190 nan 0.000 0.433 25 D N 2.662 123.061 120.400 -0.003 0.000 2.278 25 D HA 0.651 5.291 4.640 0.001 0.000 0.245 25 D C -0.682 175.651 176.300 0.055 0.000 1.052 25 D CA 0.006 54.013 54.000 0.011 0.000 0.834 25 D CB 2.117 42.961 40.800 0.073 0.000 1.194 25 D HN 0.668 nan 8.370 nan 0.000 0.481 26 L N 2.659 123.847 121.223 -0.059 0.000 2.280 26 L HA 0.351 4.691 4.340 0.001 0.000 0.287 26 L C -0.838 175.939 176.870 -0.154 0.000 1.023 26 L CA -0.890 53.913 54.840 -0.061 0.000 0.819 26 L CB 0.608 42.568 42.059 -0.165 0.000 1.212 26 L HN 0.246 nan 8.230 nan 0.000 0.420 27 Y N 3.054 123.375 120.300 0.035 0.000 2.504 27 Y HA 0.437 4.987 4.550 0.000 0.000 0.339 27 Y C 0.163 176.073 175.900 0.017 0.000 0.974 27 Y CA -0.554 57.610 58.100 0.107 0.000 1.232 27 Y CB 0.727 39.301 38.460 0.191 0.000 1.108 27 Y HN 0.429 nan 8.280 nan 0.000 0.509 28 R N 4.799 125.350 120.500 0.085 0.000 2.494 28 R HA 0.407 4.748 4.340 0.001 0.000 0.305 28 R C -2.771 173.607 176.300 0.130 0.000 0.959 28 R CA -2.141 53.961 56.100 0.003 0.000 0.864 28 R CB 1.462 31.616 30.300 -0.243 0.000 1.159 28 R HN 0.323 nan 8.270 nan 0.000 0.446 29 P HA -0.059 nan 4.420 nan 0.000 0.271 29 P C -0.854 176.519 177.300 0.123 0.000 1.216 29 P CA -0.113 63.089 63.100 0.170 0.000 0.776 29 P CB 0.694 32.474 31.700 0.135 0.000 0.881 30 D N 1.544 122.019 120.400 0.125 0.000 2.412 30 D HA 0.315 4.955 4.640 0.001 0.000 0.257 30 D C 0.310 176.649 176.300 0.065 0.000 1.217 30 D CA 1.047 55.092 54.000 0.076 0.000 0.897 30 D CB 0.416 41.253 40.800 0.061 0.000 1.132 30 D HN 0.437 nan 8.370 nan 0.000 0.493 31 A N 2.603 125.457 122.820 0.055 0.000 2.608 31 A HA 0.378 4.698 4.320 0.001 0.000 0.292 31 A C -1.523 176.090 177.584 0.047 0.000 1.066 31 A CA -0.951 51.117 52.037 0.052 0.000 0.676 31 A CB 1.592 20.629 19.000 0.061 0.000 1.277 31 A HN 0.512 nan 8.150 nan 0.000 0.413 32 D N 0.842 121.265 120.400 0.039 0.000 2.441 32 D HA 0.521 5.161 4.640 0.001 0.000 0.231 32 D C 0.350 176.670 176.300 0.033 0.000 1.073 32 D CA 0.540 54.560 54.000 0.033 0.000 0.850 32 D CB 0.880 41.694 40.800 0.023 0.000 1.062 32 D HN 2.018 nan 8.370 nan 0.000 0.524 33 G N 3.173 111.997 108.800 0.040 0.000 2.707 33 G HA2 -0.111 3.849 3.960 0.001 0.000 0.686 33 G HA3 -0.111 3.849 3.960 0.001 0.000 0.686 33 G C -2.807 172.125 174.900 0.053 0.000 1.315 33 G CA -0.845 44.276 45.100 0.035 0.000 0.832 33 G HN 0.589 nan 8.290 nan 0.000 0.573 34 P HA 0.523 nan 4.420 nan 0.000 0.272 34 P C 0.225 177.553 177.300 0.047 0.000 1.230 34 P CA 0.410 63.543 63.100 0.054 0.000 0.788 34 P CB 1.347 33.044 31.700 -0.004 0.000 0.949 35 V N -3.202 116.762 119.914 0.083 0.000 3.130 35 V HA 0.666 4.787 4.120 0.001 0.000 0.310 35 V C -2.798 173.320 176.094 0.040 0.000 1.158 35 V CA -3.016 59.307 62.300 0.038 0.000 1.029 35 V CB 1.678 33.538 31.823 0.062 0.000 1.057 35 V HN 0.392 nan 8.190 nan 0.000 0.436 36 P HA 0.350 nan 4.420 nan 0.000 0.274 36 P C -0.889 176.508 177.300 0.162 0.000 1.231 36 P CA -0.040 63.068 63.100 0.012 0.000 0.790 36 P CB 1.467 33.107 31.700 -0.101 0.000 0.951 37 V N 3.044 123.063 119.914 0.175 0.000 2.735 37 V HA 0.422 4.542 4.120 0.001 0.000 0.310 37 V C 0.248 176.412 176.094 0.116 0.000 1.061 37 V CA -0.767 61.670 62.300 0.228 0.000 0.913 37 V CB 1.901 33.887 31.823 0.271 0.000 1.005 37 V HN 0.362 nan 8.190 nan 0.000 0.428 38 L N 4.608 125.900 121.223 0.114 0.000 2.341 38 L HA 0.657 4.997 4.340 0.001 0.000 0.278 38 L C -0.930 175.996 176.870 0.094 0.000 1.005 38 L CA -0.634 54.215 54.840 0.015 0.000 0.818 38 L CB 1.849 43.889 42.059 -0.031 0.000 1.259 38 L HN 0.477 nan 8.230 nan 0.000 0.418 39 L N 4.073 125.306 121.223 0.016 0.000 2.346 39 L HA 0.741 5.082 4.340 0.001 0.000 0.276 39 L C -0.997 175.732 176.870 -0.234 0.000 1.006 39 L CA -0.341 54.471 54.840 -0.048 0.000 0.817 39 L CB 2.054 44.113 42.059 -0.001 0.000 1.272 39 L HN 0.283 nan 8.230 nan 0.000 0.421 40 V N 5.213 124.932 119.914 -0.326 0.000 2.483 40 V HA 0.563 4.683 4.120 0.001 0.000 0.297 40 V C -0.350 175.535 176.094 -0.349 0.000 1.027 40 V CA -0.635 61.353 62.300 -0.520 0.000 0.855 40 V CB 1.579 32.912 31.823 -0.818 0.000 0.995 40 V HN 0.690 nan 8.190 nan 0.000 0.424 41 R N 3.401 123.729 120.500 -0.287 0.000 2.215 41 R HA 0.467 4.808 4.340 0.001 0.000 0.336 41 R C -0.673 175.508 176.300 -0.200 0.000 0.996 41 R CA -0.511 55.483 56.100 -0.177 0.000 0.847 41 R CB 1.221 31.476 30.300 -0.074 0.000 1.127 41 R HN 0.651 nan 8.270 nan 0.000 0.465 42 N N 3.444 122.003 118.700 -0.236 0.000 2.342 42 N HA 0.297 5.038 4.740 0.001 0.000 0.293 42 N C -2.180 173.160 175.510 -0.284 0.000 1.026 42 N CA -2.374 50.510 53.050 -0.277 0.000 0.857 42 N CB 1.775 40.053 38.487 -0.349 0.000 1.256 42 N HN 0.210 nan 8.380 nan 0.000 0.484 43 P HA 0.203 nan 4.420 nan 0.000 0.261 43 P C -0.562 176.310 177.300 -0.713 0.000 1.268 43 P CA 0.257 62.929 63.100 -0.712 0.000 0.833 43 P CB 0.033 30.997 31.700 -1.227 0.000 1.231 44 F N 0.737 120.609 119.950 -0.131 0.000 2.928 44 F HA 0.357 4.885 4.527 0.000 0.000 0.337 44 F C 0.136 175.703 175.800 -0.389 0.000 1.259 44 F CA -1.016 56.933 58.000 -0.085 0.000 1.267 44 F CB -0.412 38.569 39.000 -0.031 0.000 0.986 44 F HN -0.176 nan 8.300 nan 0.000 0.507 45 D N 1.576 121.609 120.400 -0.612 0.000 5.036 45 D HA -0.192 4.448 4.640 0.001 0.000 0.231 45 D C 1.055 177.150 176.300 -0.342 0.000 1.396 45 D CA 0.622 54.044 54.000 -0.964 0.000 1.180 45 D CB 0.446 40.392 40.800 -1.422 0.000 0.614 45 D HN 0.611 nan 8.370 nan 0.000 0.300 46 K N 2.410 122.635 120.400 -0.291 0.000 2.211 46 K HA -0.167 4.154 4.320 0.001 0.000 0.204 46 K C 1.883 178.499 176.600 0.027 0.000 1.047 46 K CA 1.099 57.306 56.287 -0.134 0.000 0.935 46 K CB -0.256 32.120 32.500 -0.207 0.000 0.728 46 K HN 0.285 nan 8.250 nan 0.000 0.452 47 F N 2.294 122.207 119.950 -0.063 0.000 2.234 47 F HA -0.057 4.471 4.527 0.000 0.000 0.299 47 F C 1.052 176.805 175.800 -0.079 0.000 1.087 47 F CA 0.584 58.556 58.000 -0.046 0.000 1.340 47 F CB -0.597 38.352 39.000 -0.084 0.000 1.031 47 F HN 0.080 nan 8.300 nan 0.000 0.500 48 D N 0.727 121.186 120.400 0.098 0.000 2.608 48 D HA 0.076 4.716 4.640 0.001 0.000 0.224 48 D C 1.428 177.779 176.300 0.085 0.000 1.123 48 D CA 0.101 54.114 54.000 0.021 0.000 1.030 48 D CB 0.270 41.074 40.800 0.008 0.000 1.093 48 D HN 0.106 nan 8.370 nan 0.000 0.497 49 V N 0.323 120.210 119.914 -0.045 0.000 2.719 49 V HA -0.079 4.042 4.120 0.001 0.000 0.252 49 V C 1.864 177.807 176.094 -0.251 0.000 1.065 49 V CA 0.766 63.028 62.300 -0.064 0.000 1.086 49 V CB -0.957 30.913 31.823 0.077 0.000 0.700 49 V HN 0.153 nan 8.190 nan 0.000 0.467 50 F N 2.033 121.906 119.950 -0.128 0.000 2.293 50 F HA 0.237 4.764 4.527 0.000 0.000 0.300 50 F C 2.665 178.370 175.800 -0.158 0.000 1.086 50 F CA 0.477 58.374 58.000 -0.173 0.000 1.375 50 F CB -1.448 37.490 39.000 -0.105 0.000 1.045 50 F HN 0.257 nan 8.300 nan 0.000 0.516 51 A N 0.616 123.493 122.820 0.095 0.000 1.908 51 A HA -0.181 4.139 4.320 0.001 0.000 0.218 51 A C 2.036 179.693 177.584 0.121 0.000 1.181 51 A CA 1.835 53.934 52.037 0.103 0.000 0.627 51 A CB -1.093 17.991 19.000 0.140 0.000 0.818 51 A HN 0.664 nan 8.150 nan 0.000 0.445 52 W N -2.312 119.025 121.300 0.061 0.000 2.871 52 W HA 0.262 4.922 4.660 0.000 0.000 0.267 52 W C 1.347 177.893 176.519 0.045 0.000 1.180 52 W CA 0.671 58.033 57.345 0.028 0.000 1.463 52 W CB -0.789 28.695 29.460 0.040 0.000 0.966 52 W HN 0.210 nan 8.180 nan 0.000 0.605 53 S N 2.011 117.221 115.700 -0.817 0.000 2.387 53 S HA -0.246 4.224 4.470 0.001 0.000 0.230 53 S C 1.930 176.389 174.600 -0.234 0.000 1.035 53 S CA 3.000 60.796 58.200 -0.673 0.000 1.014 53 S CB -0.849 62.006 63.200 -0.576 0.000 0.836 53 S HN 0.463 nan 8.310 nan 0.000 0.466 54 T N -0.089 114.352 114.554 -0.188 0.000 3.007 54 T HA -0.060 4.291 4.350 0.001 0.000 0.270 54 T C 1.183 175.757 174.700 -0.210 0.000 1.107 54 T CA 0.875 62.883 62.100 -0.152 0.000 1.118 54 T CB -0.299 68.486 68.868 -0.138 0.000 0.889 54 T HN 0.362 nan 8.240 nan 0.000 0.506 55 Q N 0.107 119.756 119.800 -0.251 0.000 2.220 55 Q HA 0.453 4.793 4.340 0.001 0.000 0.205 55 Q C 1.696 177.382 176.000 -0.524 0.000 0.865 55 Q CA -0.028 55.450 55.803 -0.542 0.000 0.960 55 Q CB 0.831 29.345 28.738 -0.374 0.000 1.097 55 Q HN 0.505 nan 8.270 nan 0.000 0.493 56 S N -0.684 114.938 115.700 -0.130 0.000 3.517 56 S HA 0.372 4.842 4.470 0.001 0.000 0.173 56 S C 0.017 174.734 174.600 0.195 0.000 0.785 56 S CA 0.687 58.968 58.200 0.135 0.000 0.932 56 S CB 0.346 63.821 63.200 0.458 0.000 1.213 56 S HN 0.319 nan 8.310 nan 0.000 0.772 57 T N 0.505 115.152 114.554 0.155 0.000 2.802 57 T HA 0.502 4.853 4.350 0.001 0.000 0.311 57 T C -1.719 172.914 174.700 -0.112 0.000 1.405 57 T CA -0.861 61.233 62.100 -0.010 0.000 1.016 57 T CB 1.016 69.811 68.868 -0.122 0.000 1.352 57 T HN 0.206 nan 8.240 nan 0.000 0.498 58 N N 2.255 120.775 118.700 -0.300 0.000 3.298 58 N HA 0.113 4.854 4.740 0.001 0.000 0.292 58 N C 1.228 176.326 175.510 -0.686 0.000 1.271 58 N CA -0.487 52.294 53.050 -0.448 0.000 1.184 58 N CB -0.034 38.245 38.487 -0.347 0.000 1.452 58 N HN 0.790 nan 8.380 nan 0.000 0.534 59 W N 0.163 121.066 121.300 -0.661 0.000 2.480 59 W HA -0.058 4.602 4.660 0.000 0.000 0.257 59 W C 0.486 176.626 176.519 -0.630 0.000 1.235 59 W CA -0.106 56.640 57.345 -0.997 0.000 1.218 59 W CB -0.744 28.526 29.460 -0.317 0.000 1.131 59 W HN 0.224 nan 8.180 nan 0.000 0.606 60 L N 0.967 121.694 121.223 -0.826 0.000 2.362 60 L HA -0.148 4.193 4.340 0.001 0.000 0.219 60 L C 2.768 179.435 176.870 -0.339 0.000 1.134 60 L CA 1.548 56.029 54.840 -0.599 0.000 0.807 60 L CB -0.667 41.019 42.059 -0.621 0.000 0.927 60 L HN 0.061 nan 8.230 nan 0.000 0.447 61 E N 0.339 120.307 120.200 -0.388 0.000 2.150 61 E HA -0.211 4.139 4.350 0.001 0.000 0.193 61 E C 2.068 178.671 176.600 0.006 0.000 0.985 61 E CA 1.103 57.380 56.400 -0.205 0.000 0.814 61 E CB 0.077 29.624 29.700 -0.254 0.000 0.752 61 E HN 0.361 nan 8.360 nan 0.000 0.466 62 F N 0.346 120.304 119.950 0.013 0.000 2.134 62 F HA -0.147 4.380 4.527 0.001 0.000 0.299 62 F C 2.347 178.258 175.800 0.186 0.000 1.097 62 F CA 0.584 58.636 58.000 0.086 0.000 1.264 62 F CB -1.089 37.870 39.000 -0.068 0.000 1.001 62 F HN -0.051 nan 8.300 nan 0.000 0.479 63 V N 0.287 120.341 119.914 0.233 0.000 2.358 63 V HA -0.227 3.893 4.120 0.001 0.000 0.246 63 V C 2.384 178.517 176.094 0.064 0.000 1.047 63 V CA 1.638 63.987 62.300 0.083 0.000 1.035 63 V CB -0.662 31.006 31.823 -0.258 0.000 0.658 63 V HN 0.237 nan 8.190 nan 0.000 0.452 64 R N 0.048 120.569 120.500 0.037 0.000 2.189 64 R HA -0.138 4.202 4.340 0.001 0.000 0.223 64 R C 1.524 177.906 176.300 0.135 0.000 1.092 64 R CA 1.418 57.587 56.100 0.115 0.000 0.989 64 R CB -0.246 30.110 30.300 0.093 0.000 0.876 64 R HN 0.505 nan 8.270 nan 0.000 0.457 65 D N -1.134 119.374 120.400 0.181 0.000 2.340 65 D HA 0.067 4.707 4.640 0.001 0.000 0.217 65 D C 0.763 177.155 176.300 0.153 0.000 1.081 65 D CA 0.665 54.779 54.000 0.191 0.000 0.842 65 D CB 0.498 41.463 40.800 0.275 0.000 0.934 65 D HN 0.295 nan 8.370 nan 0.000 0.511 66 G N -0.699 108.186 108.800 0.140 0.000 2.184 66 G HA2 -0.239 3.721 3.960 0.001 0.000 0.206 66 G HA3 -0.239 3.721 3.960 0.001 0.000 0.206 66 G C -0.201 174.691 174.900 -0.014 0.000 0.995 66 G CA -0.288 44.834 45.100 0.037 0.000 0.651 66 G HN 0.283 nan 8.290 nan 0.000 0.511 67 Y N 1.151 121.518 120.300 0.111 0.000 2.352 67 Y HA 0.668 5.218 4.550 0.001 0.000 0.326 67 Y C 0.777 176.756 175.900 0.132 0.000 1.166 67 Y CA 0.043 58.206 58.100 0.105 0.000 1.182 67 Y CB 1.695 40.205 38.460 0.084 0.000 1.216 67 Y HN 0.407 nan 8.280 nan 0.000 0.474 68 A N 2.311 125.319 122.820 0.314 0.000 2.304 68 A HA 0.732 5.052 4.320 0.001 0.000 0.301 68 A C -1.113 176.648 177.584 0.295 0.000 1.132 68 A CA -0.564 51.627 52.037 0.256 0.000 0.819 68 A CB 0.571 19.727 19.000 0.261 0.000 1.094 68 A HN 0.526 nan 8.150 nan 0.000 0.492 69 V N 2.477 122.562 119.914 0.286 0.000 2.540 69 V HA 0.463 4.584 4.120 0.001 0.000 0.302 69 V C -0.594 175.662 176.094 0.271 0.000 1.035 69 V CA -0.460 61.996 62.300 0.260 0.000 0.873 69 V CB 1.775 33.724 31.823 0.209 0.000 0.992 69 V HN 0.658 nan 8.190 nan 0.000 0.428 70 V N 6.229 126.261 119.914 0.197 0.000 2.409 70 V HA 0.548 4.668 4.120 0.001 0.000 0.291 70 V C -0.334 175.792 176.094 0.054 0.000 1.020 70 V CA -0.388 62.033 62.300 0.201 0.000 0.848 70 V CB 1.732 33.723 31.823 0.280 0.000 0.990 70 V HN 0.673 nan 8.190 nan 0.000 0.430 71 I N 4.674 125.286 120.570 0.070 0.000 2.406 71 I HA 0.529 4.699 4.170 0.001 0.000 0.290 71 I C -0.280 175.804 176.117 -0.056 0.000 0.999 71 I CA -0.374 60.897 61.300 -0.049 0.000 1.124 71 I CB 1.800 39.803 38.000 0.004 0.000 1.289 71 I HN 0.632 nan 8.210 nan 0.000 0.441 72 Q N 4.940 124.672 119.800 -0.114 0.000 2.365 72 Q HA 0.317 4.657 4.340 0.001 0.000 0.269 72 Q C -1.443 174.471 176.000 -0.144 0.000 1.061 72 Q CA -0.835 54.896 55.803 -0.121 0.000 0.816 72 Q CB 2.368 31.048 28.738 -0.097 0.000 1.325 72 Q HN 0.480 nan 8.270 nan 0.000 0.446 73 D N 2.700 123.014 120.400 -0.142 0.000 2.264 73 D HA 0.127 4.767 4.640 0.001 0.000 0.250 73 D C -0.167 176.080 176.300 -0.087 0.000 1.113 73 D CA 0.151 54.080 54.000 -0.117 0.000 0.871 73 D CB 1.431 42.180 40.800 -0.085 0.000 1.167 73 D HN 0.637 nan 8.370 nan 0.000 0.447 74 T N -0.027 114.475 114.554 -0.086 0.000 2.855 74 T HA 0.055 4.405 4.350 0.001 0.000 0.314 74 T C 0.736 175.434 174.700 -0.004 0.000 1.077 74 T CA -0.786 61.294 62.100 -0.033 0.000 1.095 74 T CB 0.880 69.741 68.868 -0.012 0.000 0.987 74 T HN 0.351 nan 8.240 nan 0.000 0.546 75 R N 0.641 121.158 120.500 0.029 0.000 2.523 75 R HA 0.238 4.578 4.340 0.001 0.000 0.281 75 R C 1.556 177.904 176.300 0.079 0.000 0.969 75 R CA 1.338 57.455 56.100 0.028 0.000 1.093 75 R CB -0.833 29.478 30.300 0.018 0.000 0.917 75 R HN 1.239 nan 8.270 nan 0.000 0.408 76 G N 3.265 112.079 108.800 0.022 0.000 2.179 76 G HA2 -0.272 3.689 3.960 0.001 0.000 0.260 76 G HA3 -0.272 3.689 3.960 0.001 0.000 0.260 76 G C -0.112 174.736 174.900 -0.085 0.000 0.977 76 G CA 0.326 45.437 45.100 0.019 0.000 0.641 76 G HN 0.488 nan 8.290 nan 0.000 0.533 77 L N -0.773 120.372 121.223 -0.130 0.000 2.346 77 L HA 0.719 5.059 4.340 0.001 0.000 0.274 77 L C 1.531 178.339 176.870 -0.102 0.000 1.007 77 L CA -1.223 53.459 54.840 -0.263 0.000 0.818 77 L CB 1.049 42.922 42.059 -0.310 0.000 1.284 77 L HN 0.087 nan 8.230 nan 0.000 0.424 78 F N 1.012 120.874 119.950 -0.147 0.000 2.797 78 F HA -0.462 4.066 4.527 0.001 0.000 0.230 78 F C 1.920 177.663 175.800 -0.095 0.000 1.480 78 F CA 1.838 59.776 58.000 -0.103 0.000 1.923 78 F CB -1.379 37.553 39.000 -0.114 0.000 0.481 78 F HN 0.561 nan 8.300 nan 0.000 0.259 79 A N -0.177 122.710 122.820 0.111 0.000 2.167 79 A HA 0.267 4.587 4.320 0.001 0.000 0.214 79 A C 0.967 178.528 177.584 -0.038 0.000 1.151 79 A CA 1.208 53.243 52.037 -0.003 0.000 0.735 79 A CB -0.536 18.403 19.000 -0.102 0.000 0.802 79 A HN 0.373 nan 8.150 nan 0.000 0.467 80 S N 0.667 116.343 115.700 -0.041 0.000 2.586 80 S HA 0.333 4.804 4.470 0.001 0.000 0.274 80 S C 0.154 174.725 174.600 -0.048 0.000 1.281 80 S CA -0.539 57.628 58.200 -0.056 0.000 1.035 80 S CB 0.822 63.987 63.200 -0.058 0.000 0.962 80 S HN 0.590 nan 8.310 nan 0.000 0.512 81 E N 0.593 120.764 120.200 -0.047 0.000 2.622 81 E HA 0.606 4.956 4.350 0.001 0.000 0.255 81 E C 0.699 177.279 176.600 -0.033 0.000 1.313 81 E CA -0.470 55.906 56.400 -0.039 0.000 1.011 81 E CB 0.335 30.013 29.700 -0.037 0.000 1.173 81 E HN 0.833 nan 8.360 nan 0.000 0.601 82 G N 0.150 108.934 108.800 -0.027 0.000 2.660 82 G HA2 -0.149 3.811 3.960 0.001 0.000 0.247 82 G HA3 -0.149 3.811 3.960 0.001 0.000 0.247 82 G C -1.133 173.760 174.900 -0.012 0.000 1.328 82 G CA -0.775 44.313 45.100 -0.020 0.000 0.884 82 G HN 0.373 nan 8.290 nan 0.000 0.531 83 E N -0.842 119.353 120.200 -0.008 0.000 2.183 83 E HA 0.576 4.926 4.350 0.001 0.000 0.271 83 E C -0.833 175.781 176.600 0.023 0.000 0.919 83 E CA -0.778 55.624 56.400 0.003 0.000 0.781 83 E CB 1.923 31.612 29.700 -0.018 0.000 1.140 83 E HN 0.499 nan 8.360 nan 0.000 0.402 84 F N 2.647 122.531 119.950 -0.109 0.000 2.410 84 F HA 0.363 4.890 4.527 0.000 0.000 0.348 84 F C -0.710 175.007 175.800 -0.137 0.000 1.106 84 F CA -0.492 57.427 58.000 -0.135 0.000 1.163 84 F CB 0.650 39.547 39.000 -0.171 0.000 1.129 84 F HN 0.082 nan 8.300 nan 0.000 0.516 85 V N 7.266 126.518 119.914 -1.103 0.000 2.697 85 V HA 0.265 4.385 4.120 0.001 0.000 0.300 85 V C -2.385 172.960 176.094 -1.248 0.000 1.115 85 V CA -1.773 59.916 62.300 -1.018 0.000 0.912 85 V CB 1.822 33.346 31.823 -0.499 0.000 1.024 85 V HN 0.639 nan 8.190 nan 0.000 0.431 86 P HA 0.099 nan 4.420 nan 0.000 0.262 86 P C 0.497 177.232 177.300 -0.941 0.000 1.182 86 P CA 0.833 63.202 63.100 -1.217 0.000 0.761 86 P CB 0.109 30.893 31.700 -1.526 0.000 0.795 87 H N 0.139 119.098 119.070 -0.186 0.000 5.117 87 H HA -0.230 4.327 4.556 0.001 0.000 0.074 87 H C 1.576 176.858 175.328 -0.077 0.000 0.550 87 H CA 1.964 57.965 56.048 -0.078 0.000 1.091 87 H CB -2.347 27.416 29.762 0.002 0.000 0.520 87 H HN 0.387 nan 8.280 nan 0.000 0.712 88 V N -0.415 119.472 119.914 -0.046 0.000 2.439 88 V HA -0.195 3.925 4.120 0.001 0.000 0.253 88 V C 1.625 177.705 176.094 -0.022 0.000 1.074 88 V CA 2.724 65.005 62.300 -0.031 0.000 1.076 88 V CB -0.169 31.604 31.823 -0.085 0.000 0.664 88 V HN 0.388 nan 8.190 nan 0.000 0.461 89 D N -0.716 119.660 120.400 -0.041 0.000 2.398 89 D HA 0.051 4.692 4.640 0.001 0.000 0.210 89 D C 1.394 177.705 176.300 0.018 0.000 1.094 89 D CA 0.508 54.498 54.000 -0.017 0.000 0.839 89 D CB 0.171 40.947 40.800 -0.041 0.000 0.963 89 D HN 0.503 nan 8.370 nan 0.000 0.506 90 D N 1.495 121.923 120.400 0.047 0.000 2.178 90 D HA -0.115 4.525 4.640 0.001 0.000 0.202 90 D C 1.715 178.048 176.300 0.056 0.000 0.974 90 D CA 0.770 54.812 54.000 0.071 0.000 0.841 90 D CB 0.310 41.179 40.800 0.115 0.000 0.953 90 D HN 0.399 nan 8.370 nan 0.000 0.478 91 E N 0.805 121.037 120.200 0.053 0.000 2.028 91 E HA -0.106 4.244 4.350 0.001 0.000 0.191 91 E C 2.177 178.799 176.600 0.037 0.000 0.988 91 E CA 0.866 57.296 56.400 0.050 0.000 0.799 91 E CB 0.015 29.746 29.700 0.052 0.000 0.755 91 E HN 0.149 nan 8.360 nan 0.000 0.447 92 A N 1.721 124.558 122.820 0.029 0.000 1.873 92 A HA -0.209 4.111 4.320 0.001 0.000 0.215 92 A C 1.742 179.337 177.584 0.019 0.000 1.186 92 A CA 1.803 53.853 52.037 0.021 0.000 0.616 92 A CB -0.462 18.546 19.000 0.014 0.000 0.823 92 A HN 0.094 nan 8.150 nan 0.000 0.442 93 D N 0.071 120.480 120.400 0.016 0.000 2.178 93 D HA -0.038 4.603 4.640 0.001 0.000 0.201 93 D C 2.156 178.466 176.300 0.015 0.000 0.980 93 D CA 1.429 55.435 54.000 0.009 0.000 0.842 93 D CB -0.355 40.448 40.800 0.005 0.000 0.948 93 D HN 0.431 nan 8.370 nan 0.000 0.472 94 A N 0.701 123.536 122.820 0.024 0.000 1.873 94 A HA -0.191 4.129 4.320 0.001 0.000 0.215 94 A C 2.126 179.729 177.584 0.032 0.000 1.186 94 A CA 1.567 53.619 52.037 0.025 0.000 0.616 94 A CB -0.541 18.476 19.000 0.028 0.000 0.823 94 A HN 0.222 nan 8.150 nan 0.000 0.442 95 E N -0.165 120.054 120.200 0.032 0.000 2.058 95 E HA -0.247 4.103 4.350 0.001 0.000 0.194 95 E C 1.239 177.865 176.600 0.043 0.000 0.997 95 E CA 1.506 57.926 56.400 0.034 0.000 0.801 95 E CB -0.137 29.581 29.700 0.030 0.000 0.746 95 E HN 0.537 nan 8.360 nan 0.000 0.450 96 D N -0.439 119.986 120.400 0.042 0.000 2.178 96 D HA -0.105 4.536 4.640 0.001 0.000 0.202 96 D C 1.880 178.236 176.300 0.093 0.000 0.974 96 D CA 1.255 55.289 54.000 0.056 0.000 0.841 96 D CB -0.380 40.440 40.800 0.033 0.000 0.953 96 D HN 0.184 nan 8.370 nan 0.000 0.478 97 T N 1.027 115.626 114.554 0.075 0.000 2.812 97 T HA -0.006 4.345 4.350 0.001 0.000 0.264 97 T C 2.249 177.057 174.700 0.180 0.000 1.042 97 T CA 0.385 62.554 62.100 0.115 0.000 1.140 97 T CB -0.176 68.723 68.868 0.053 0.000 0.870 97 T HN 0.107 nan 8.240 nan 0.000 0.445 98 L N 0.882 122.168 121.223 0.105 0.000 2.046 98 L HA -0.115 4.225 4.340 0.001 0.000 0.208 98 L C 2.864 179.774 176.870 0.067 0.000 1.077 98 L CA 1.004 55.890 54.840 0.078 0.000 0.747 98 L CB -0.622 41.462 42.059 0.041 0.000 0.896 98 L HN 0.235 nan 8.230 nan 0.000 0.432 99 S N -1.042 114.703 115.700 0.076 0.000 2.368 99 S HA -0.242 4.228 4.470 0.001 0.000 0.225 99 S C 1.516 176.154 174.600 0.063 0.000 1.030 99 S CA 1.498 59.729 58.200 0.051 0.000 0.999 99 S CB -0.454 62.781 63.200 0.058 0.000 0.844 99 S HN 0.557 nan 8.310 nan 0.000 0.459 100 W N 2.292 123.564 121.300 -0.047 0.000 2.355 100 W HA -0.068 4.593 4.660 0.001 0.000 0.309 100 W C 1.715 178.167 176.519 -0.112 0.000 1.206 100 W CA 1.076 58.388 57.345 -0.056 0.000 1.284 100 W CB -0.485 28.964 29.460 -0.018 0.000 1.145 100 W HN 0.182 nan 8.180 nan 0.000 0.502 101 I N 0.465 121.049 120.570 0.023 0.000 2.163 101 I HA -0.367 3.803 4.170 0.001 0.000 0.243 101 I C 2.381 178.204 176.117 -0.491 0.000 1.085 101 I CA 1.519 62.643 61.300 -0.294 0.000 1.347 101 I CB -0.839 37.171 38.000 0.017 0.000 1.044 101 I HN 0.004 nan 8.210 nan 0.000 0.408 102 L N 0.231 121.292 121.223 -0.270 0.000 2.265 102 L HA -0.189 4.151 4.340 0.001 0.000 0.215 102 L C 2.157 178.838 176.870 -0.316 0.000 1.117 102 L CA 1.241 55.930 54.840 -0.251 0.000 0.782 102 L CB -0.476 41.504 42.059 -0.132 0.000 0.914 102 L HN 0.307 nan 8.230 nan 0.000 0.441 103 E N -1.011 118.961 120.200 -0.380 0.000 2.442 103 E HA -0.033 4.318 4.350 0.001 0.000 0.195 103 E C 0.356 176.650 176.600 -0.511 0.000 1.030 103 E CA -0.112 56.067 56.400 -0.367 0.000 0.869 103 E CB 0.250 29.774 29.700 -0.294 0.000 0.857 103 E HN 0.392 nan 8.360 nan 0.000 0.505 104 Q N 0.079 119.395 119.800 -0.806 0.000 2.373 104 Q HA 0.129 4.469 4.340 0.001 0.000 0.255 104 Q C 0.881 176.434 176.000 -0.745 0.000 0.980 104 Q CA 0.082 55.294 55.803 -0.984 0.000 0.882 104 Q CB 1.043 28.696 28.738 -1.809 0.000 1.249 104 Q HN 0.127 nan 8.270 nan 0.000 0.438 105 A N 3.379 125.909 122.820 -0.483 0.000 2.024 105 A HA -0.137 4.183 4.320 0.001 0.000 0.220 105 A C 1.301 178.800 177.584 -0.141 0.000 1.164 105 A CA 1.306 53.211 52.037 -0.220 0.000 0.643 105 A CB -0.569 18.400 19.000 -0.051 0.000 0.806 105 A HN 0.879 nan 8.150 nan 0.000 0.451 106 W N -2.256 118.994 121.300 -0.084 0.000 3.290 106 W HA 0.362 5.022 4.660 0.000 0.000 0.287 106 W C 0.347 176.836 176.519 -0.050 0.000 1.288 106 W CA -0.481 56.835 57.345 -0.049 0.000 1.725 106 W CB -1.441 28.006 29.460 -0.022 0.000 1.103 106 W HN 0.291 nan 8.180 nan 0.000 0.670 107 C N 5.241 124.331 119.300 -0.349 0.000 2.295 107 C HA 0.210 4.670 4.460 0.001 0.000 0.331 107 C C 1.439 176.338 174.990 -0.152 0.000 1.280 107 C CA -0.436 58.431 59.018 -0.251 0.000 1.746 107 C CB 0.547 27.983 27.740 -0.507 0.000 2.328 107 C HN 0.371 nan 8.230 nan 0.000 0.521 108 D N 2.352 122.713 120.400 -0.066 0.000 2.319 108 D HA 0.209 4.850 4.640 0.001 0.000 0.230 108 D C 1.358 177.619 176.300 -0.065 0.000 1.094 108 D CA 0.660 54.625 54.000 -0.059 0.000 0.856 108 D CB -0.260 40.519 40.800 -0.035 0.000 0.915 108 D HN 1.271 nan 8.370 nan 0.000 0.517 109 G N -0.026 108.723 108.800 -0.084 0.000 2.175 109 G HA2 -0.239 3.721 3.960 0.001 0.000 0.244 109 G HA3 -0.239 3.721 3.960 0.001 0.000 0.244 109 G C -0.196 174.677 174.900 -0.044 0.000 0.982 109 G CA -0.285 44.772 45.100 -0.071 0.000 0.641 109 G HN 0.419 nan 8.290 nan 0.000 0.527 110 N N 0.251 118.934 118.700 -0.030 0.000 2.407 110 N HA 0.569 5.310 4.740 0.001 0.000 0.277 110 N C -0.699 174.814 175.510 0.007 0.000 0.995 110 N CA -0.149 52.899 53.050 -0.005 0.000 0.903 110 N CB 2.545 41.037 38.487 0.008 0.000 1.218 110 N HN 0.114 nan 8.380 nan 0.000 0.487 111 V N 0.418 120.333 119.914 0.001 0.000 2.823 111 V HA 0.839 4.959 4.120 0.001 0.000 0.312 111 V C 0.508 176.588 176.094 -0.023 0.000 1.072 111 V CA -0.713 61.586 62.300 -0.001 0.000 0.937 111 V CB 2.078 33.902 31.823 0.002 0.000 1.013 111 V HN 0.750 nan 8.190 nan 0.000 0.430 112 G N 2.645 111.395 108.800 -0.084 0.000 2.733 112 G HA2 0.854 4.814 3.960 0.001 0.000 0.288 112 G HA3 0.854 4.814 3.960 0.001 0.000 0.288 112 G C -1.439 173.407 174.900 -0.089 0.000 1.373 112 G CA -0.784 44.243 45.100 -0.121 0.000 0.895 112 G HN 0.514 nan 8.290 nan 0.000 0.479 113 M N -0.261 119.357 119.600 0.031 0.000 2.575 113 M HA 0.656 5.137 4.480 0.001 0.000 0.284 113 M C -1.345 175.155 176.300 0.333 0.000 1.253 113 M CA -0.608 54.738 55.300 0.076 0.000 0.861 113 M CB 2.905 35.490 32.600 -0.025 0.000 1.733 113 M HN 0.683 nan 8.290 nan 0.000 0.462 114 F N -0.874 119.112 119.950 0.059 0.000 2.741 114 F HA 0.989 5.516 4.527 0.001 0.000 0.313 114 F C -0.602 175.209 175.800 0.019 0.000 1.153 114 F CA -0.686 57.420 58.000 0.177 0.000 0.931 114 F CB 1.393 40.650 39.000 0.429 0.000 1.335 114 F HN 0.825 nan 8.300 nan 0.000 0.460 115 G N 0.194 109.038 108.800 0.073 0.000 2.347 115 G HA2 0.487 4.447 3.960 0.001 0.000 0.321 115 G HA3 0.487 4.447 3.960 0.001 0.000 0.321 115 G C -2.683 172.196 174.900 -0.035 0.000 1.412 115 G CA -0.218 44.770 45.100 -0.187 0.000 0.990 115 G HN 1.584 nan 8.290 nan 0.000 0.637 116 V N 0.114 119.998 119.914 -0.050 0.000 2.919 116 V HA 0.858 4.978 4.120 0.001 0.000 0.316 116 V C 1.353 177.435 176.094 -0.020 0.000 1.077 116 V CA 1.755 64.047 62.300 -0.014 0.000 0.977 116 V CB 1.254 33.083 31.823 0.009 0.000 1.039 116 V HN 2.946 nan 8.190 nan 0.000 0.441 117 S N 3.550 119.219 115.700 -0.052 0.000 4.139 117 S HA -0.374 4.096 4.470 0.001 0.000 0.603 117 S C 1.005 175.593 174.600 -0.021 0.000 1.897 117 S CA 2.070 60.247 58.200 -0.039 0.000 4.241 117 S CB -1.785 61.606 63.200 0.319 0.000 0.221 117 S HN 1.462 nan 8.310 nan 0.000 0.488 118 Y N 2.335 122.698 120.300 0.105 0.000 2.274 118 Y HA 0.150 4.700 4.550 0.000 0.000 0.290 118 Y C 2.193 178.096 175.900 0.004 0.000 1.145 118 Y CA 2.154 60.338 58.100 0.141 0.000 1.203 118 Y CB -0.311 38.328 38.460 0.297 0.000 0.984 118 Y HN 0.432 nan 8.280 nan 0.000 0.533 119 L N -1.215 120.071 121.223 0.106 0.000 2.362 119 L HA -0.104 4.236 4.340 0.001 0.000 0.219 119 L C 2.386 179.175 176.870 -0.136 0.000 1.134 119 L CA 0.995 55.761 54.840 -0.123 0.000 0.807 119 L CB -0.711 41.106 42.059 -0.403 0.000 0.927 119 L HN 0.335 nan 8.230 nan 0.000 0.447 120 G N -1.002 107.742 108.800 -0.093 0.000 2.490 120 G HA2 -0.058 3.902 3.960 0.001 0.000 0.211 120 G HA3 -0.058 3.902 3.960 0.001 0.000 0.211 120 G C 1.505 176.360 174.900 -0.076 0.000 1.159 120 G CA 0.257 45.295 45.100 -0.104 0.000 0.819 120 G HN 0.092 nan 8.290 nan 0.000 0.539 121 V N 2.353 122.234 119.914 -0.056 0.000 2.407 121 V HA -0.198 3.923 4.120 0.001 0.000 0.248 121 V C 3.314 179.416 176.094 0.013 0.000 1.055 121 V CA 2.417 64.726 62.300 0.015 0.000 1.049 121 V CB -1.033 30.711 31.823 -0.132 0.000 0.662 121 V HN 0.626 nan 8.190 nan 0.000 0.455 122 T N -1.936 112.585 114.554 -0.054 0.000 2.929 122 T HA -0.245 4.105 4.350 0.001 0.000 0.271 122 T C 1.707 176.394 174.700 -0.022 0.000 1.085 122 T CA 1.406 63.501 62.100 -0.008 0.000 1.125 122 T CB -0.316 68.571 68.868 0.032 0.000 0.874 122 T HN 0.571 nan 8.240 nan 0.000 0.494 123 Q N -0.187 119.553 119.800 -0.100 0.000 2.123 123 Q HA 0.000 4.341 4.340 0.001 0.000 0.199 123 Q C 1.953 177.848 176.000 -0.175 0.000 0.966 123 Q CA 1.310 57.000 55.803 -0.188 0.000 0.845 123 Q CB -0.263 28.278 28.738 -0.327 0.000 0.907 123 Q HN 0.713 nan 8.270 nan 0.000 0.439 124 W N 1.317 122.622 121.300 0.008 0.000 2.388 124 W HA -0.129 4.531 4.660 0.000 0.000 0.294 124 W C 2.245 178.772 176.519 0.013 0.000 1.212 124 W CA 0.534 57.888 57.345 0.015 0.000 1.271 124 W CB 0.125 29.597 29.460 0.020 0.000 1.126 124 W HN 0.193 nan 8.180 nan 0.000 0.535 125 Q N -0.146 119.784 119.800 0.216 0.000 2.167 125 Q HA -0.138 4.203 4.340 0.001 0.000 0.202 125 Q C 2.382 178.439 176.000 0.094 0.000 0.970 125 Q CA 1.513 57.398 55.803 0.136 0.000 0.855 125 Q CB -0.448 28.350 28.738 0.099 0.000 0.911 125 Q HN 0.310 nan 8.270 nan 0.000 0.438 126 A N 0.783 123.640 122.820 0.063 0.000 1.970 126 A HA 0.078 4.399 4.320 0.001 0.000 0.216 126 A C 2.235 179.845 177.584 0.043 0.000 1.170 126 A CA 1.105 53.163 52.037 0.036 0.000 0.645 126 A CB -0.446 18.556 19.000 0.003 0.000 0.816 126 A HN 0.351 nan 8.150 nan 0.000 0.447 127 A N 0.155 123.011 122.820 0.059 0.000 1.969 127 A HA 0.023 4.343 4.320 0.001 0.000 0.218 127 A C 2.081 179.724 177.584 0.100 0.000 1.169 127 A CA 1.726 53.808 52.037 0.076 0.000 0.635 127 A CB -1.017 18.047 19.000 0.107 0.000 0.810 127 A HN 1.083 nan 8.150 nan 0.000 0.445 128 V N -0.905 119.079 119.914 0.117 0.000 3.380 128 V HA 0.045 4.166 4.120 0.001 0.000 0.268 128 V C 1.126 177.255 176.094 0.057 0.000 1.168 128 V CA 0.639 62.992 62.300 0.089 0.000 1.156 128 V CB -1.816 30.062 31.823 0.091 0.000 0.785 128 V HN 0.570 nan 8.190 nan 0.000 0.487 129 S N 0.777 116.508 115.700 0.052 0.000 2.614 129 S HA 0.537 5.008 4.470 0.001 0.000 0.265 129 S C 1.011 175.629 174.600 0.030 0.000 1.303 129 S CA 0.161 58.383 58.200 0.037 0.000 1.000 129 S CB 1.211 64.431 63.200 0.034 0.000 0.935 129 S HN 0.658 nan 8.310 nan 0.000 0.551 130 G N 0.397 109.211 108.800 0.022 0.000 3.424 130 G HA2 0.377 4.338 3.960 0.001 0.000 0.263 130 G HA3 0.377 4.338 3.960 0.001 0.000 0.263 130 G C -0.200 174.707 174.900 0.012 0.000 1.310 130 G CA -0.501 44.608 45.100 0.016 0.000 1.089 130 G HN 0.640 nan 8.290 nan 0.000 0.534 131 V N 1.501 121.423 119.914 0.014 0.000 2.370 131 V HA 0.267 4.388 4.120 0.001 0.000 0.257 131 V C 1.778 177.875 176.094 0.004 0.000 1.064 131 V CA 0.294 62.599 62.300 0.008 0.000 0.975 131 V CB 0.664 32.494 31.823 0.011 0.000 1.067 131 V HN 0.325 nan 8.190 nan 0.000 0.485 132 G N 4.123 112.922 108.800 -0.001 0.000 2.448 132 G HA2 -0.146 3.814 3.960 0.001 0.000 0.219 132 G HA3 -0.146 3.814 3.960 0.001 0.000 0.219 132 G C 1.514 176.410 174.900 -0.006 0.000 1.127 132 G CA 0.780 45.878 45.100 -0.003 0.000 0.766 132 G HN 0.833 nan 8.290 nan 0.000 0.552 133 G N 0.070 108.863 108.800 -0.011 0.000 2.470 133 G HA2 -0.015 3.945 3.960 0.001 0.000 0.220 133 G HA3 -0.015 3.945 3.960 0.001 0.000 0.220 133 G C 0.742 175.637 174.900 -0.008 0.000 1.121 133 G CA 0.136 45.227 45.100 -0.016 0.000 0.766 133 G HN 0.425 nan 8.290 nan 0.000 0.553 134 L N 1.018 122.240 121.223 -0.002 0.000 2.407 134 L HA 0.353 4.694 4.340 0.001 0.000 0.282 134 L C 0.962 177.833 176.870 0.002 0.000 1.110 134 L CA -0.319 54.523 54.840 0.002 0.000 0.863 134 L CB 0.762 42.824 42.059 0.004 0.000 1.207 134 L HN -0.164 nan 8.230 nan 0.000 0.454 135 K N 4.292 124.697 120.400 0.008 0.000 2.356 135 K HA 0.507 4.827 4.320 0.001 0.000 0.195 135 K C 0.092 176.680 176.600 -0.021 0.000 1.037 135 K CA 0.651 56.940 56.287 0.004 0.000 1.014 135 K CB 0.300 32.819 32.500 0.031 0.000 0.815 135 K HN 0.626 nan 8.250 nan 0.000 0.507 136 A N 0.969 123.809 122.820 0.034 0.000 2.581 136 A HA 0.582 4.902 4.320 0.001 0.000 0.294 136 A C -1.242 176.477 177.584 0.224 0.000 1.035 136 A CA -0.981 51.110 52.037 0.091 0.000 0.684 136 A CB 0.662 19.692 19.000 0.050 0.000 1.282 136 A HN 0.155 nan 8.150 nan 0.000 0.417 137 I N -2.269 118.438 120.570 0.228 0.000 3.042 137 I HA 0.965 5.136 4.170 0.001 0.000 0.310 137 I C -0.088 176.114 176.117 0.142 0.000 1.117 137 I CA -1.083 60.295 61.300 0.130 0.000 1.003 137 I CB 2.559 40.445 38.000 -0.191 0.000 1.228 137 I HN 1.294 nan 8.210 nan 0.000 0.443 138 A N 3.142 126.019 122.820 0.095 0.000 3.266 138 A HA 0.667 4.988 4.320 0.001 0.000 0.310 138 A C -2.903 174.702 177.584 0.036 0.000 1.066 138 A CA -1.203 50.843 52.037 0.015 0.000 0.839 138 A CB -0.068 19.019 19.000 0.144 0.000 1.192 138 A HN 0.509 nan 8.150 nan 0.000 0.496 139 P HA 0.251 nan 4.420 nan 0.000 0.281 139 P C -0.069 177.252 177.300 0.034 0.000 1.286 139 P CA 0.306 63.346 63.100 -0.099 0.000 0.772 139 P CB 1.441 32.973 31.700 -0.279 0.000 0.862 140 S N 4.201 119.931 115.700 0.051 0.000 2.451 140 S HA 0.462 4.932 4.470 0.001 0.000 0.301 140 S C 0.459 175.063 174.600 0.007 0.000 1.116 140 S CA -0.487 57.755 58.200 0.071 0.000 1.093 140 S CB -0.262 63.002 63.200 0.107 0.000 1.017 140 S HN 0.451 nan 8.310 nan 0.000 0.482 141 M N 1.972 121.592 119.600 0.034 0.000 2.175 141 M HA -0.261 4.220 4.480 0.001 0.000 0.192 141 M C 0.070 176.207 176.300 -0.272 0.000 0.473 141 M CA 0.753 56.059 55.300 0.009 0.000 0.414 141 M CB -2.173 30.475 32.600 0.081 0.000 1.069 141 M HN 0.648 nan 8.290 nan 0.000 0.933 142 A N -0.141 122.611 122.820 -0.113 0.000 2.389 142 A HA 0.942 5.263 4.320 0.001 0.000 0.293 142 A C -0.122 177.554 177.584 0.153 0.000 1.186 142 A CA 0.014 51.964 52.037 -0.145 0.000 0.828 142 A CB 2.173 21.211 19.000 0.063 0.000 1.369 142 A HN 0.429 nan 8.150 nan 0.000 0.446 143 S N -2.280 113.547 115.700 0.211 0.000 2.564 143 S HA 0.615 5.085 4.470 0.001 0.000 0.274 143 S C -0.158 174.483 174.600 0.068 0.000 1.124 143 S CA 0.273 58.576 58.200 0.172 0.000 0.869 143 S CB 1.735 65.061 63.200 0.211 0.000 1.105 143 S HN 1.938 nan 8.310 nan 0.000 0.472 144 A N 1.793 124.558 122.820 -0.091 0.000 2.508 144 A HA 0.413 4.734 4.320 0.001 0.000 0.257 144 A C -0.028 177.553 177.584 -0.005 0.000 1.226 144 A CA -0.050 51.904 52.037 -0.139 0.000 0.947 144 A CB 0.051 18.785 19.000 -0.443 0.000 1.079 144 A HN 0.677 nan 8.150 nan 0.000 0.531 145 D N 0.656 121.043 120.400 -0.022 0.000 2.336 145 D HA 0.213 4.853 4.640 0.001 0.000 0.248 145 D C 0.487 176.765 176.300 -0.037 0.000 1.326 145 D CA -0.368 53.626 54.000 -0.011 0.000 0.973 145 D CB 0.830 41.576 40.800 -0.091 0.000 1.255 145 D HN -0.047 nan 8.370 nan 0.000 0.558 146 L N 2.915 124.148 121.223 0.017 0.000 2.265 146 L HA -0.146 4.195 4.340 0.001 0.000 0.215 146 L C 1.846 178.665 176.870 -0.085 0.000 1.117 146 L CA 1.198 56.021 54.840 -0.028 0.000 0.782 146 L CB -1.336 40.810 42.059 0.145 0.000 0.914 146 L HN 0.546 nan 8.230 nan 0.000 0.441 147 Y N 1.195 121.326 120.300 -0.282 0.000 2.184 147 Y HA -0.154 4.396 4.550 0.000 0.000 0.290 147 Y C 2.824 178.507 175.900 -0.362 0.000 1.129 147 Y CA 1.449 59.149 58.100 -0.667 0.000 1.144 147 Y CB -0.051 37.873 38.460 -0.894 0.000 0.995 147 Y HN 0.006 nan 8.280 nan 0.000 0.513 148 R N 0.309 120.764 120.500 -0.076 0.000 2.115 148 R HA 0.147 4.487 4.340 0.001 0.000 0.230 148 R C -0.019 176.144 176.300 -0.228 0.000 1.111 148 R CA 0.858 56.886 56.100 -0.120 0.000 0.976 148 R CB -0.117 30.108 30.300 -0.125 0.000 0.870 148 R HN 0.267 nan 8.270 nan 0.000 0.445 149 A N 0.102 122.742 122.820 -0.300 0.000 2.532 149 A HA 0.327 4.647 4.320 0.001 0.000 0.296 149 A C -2.469 174.738 177.584 -0.629 0.000 1.058 149 A CA -1.125 50.627 52.037 -0.476 0.000 0.729 149 A CB 1.656 20.431 19.000 -0.374 0.000 1.285 149 A HN -0.093 nan 8.150 nan 0.000 0.396 150 P HA 0.115 nan 4.420 nan 0.000 0.275 150 P C 0.509 177.370 177.300 -0.731 0.000 1.310 150 P CA 0.206 62.625 63.100 -1.135 0.000 0.904 150 P CB 0.044 30.822 31.700 -1.536 0.000 1.381 151 W N -0.860 120.288 121.300 -0.253 0.000 2.407 151 W HA -0.049 4.611 4.660 0.001 0.000 0.305 151 W C 1.607 177.791 176.519 -0.558 0.000 1.196 151 W CA 0.134 57.316 57.345 -0.271 0.000 1.311 151 W CB -0.605 28.836 29.460 -0.032 0.000 1.135 151 W HN -0.082 nan 8.180 nan 0.000 0.514 152 Y N -1.081 118.936 120.300 -0.471 0.000 2.502 152 Y HA 0.656 5.206 4.550 0.000 0.000 0.106 152 Y C 0.966 176.624 175.900 -0.405 0.000 0.968 152 Y CA 0.305 58.035 58.100 -0.616 0.000 1.766 152 Y CB 0.128 37.662 38.460 -1.544 0.000 1.112 152 Y HN -0.222 nan 8.280 nan 0.000 0.272 153 G N -1.311 107.327 108.800 -0.270 0.000 2.316 153 G HA2 0.237 4.198 3.960 0.001 0.000 0.296 153 G HA3 0.237 4.198 3.960 0.001 0.000 0.296 153 G C -2.738 172.134 174.900 -0.046 0.000 1.399 153 G CA -0.841 44.195 45.100 -0.107 0.000 0.833 153 G HN 0.021 nan 8.290 nan 0.000 0.565 154 P HA 0.060 nan 4.420 nan 0.000 0.222 154 P C 1.708 178.981 177.300 -0.045 0.000 1.147 154 P CA 1.662 64.737 63.100 -0.041 0.000 0.790 154 P CB 0.222 31.892 31.700 -0.049 0.000 0.780 155 G N -1.533 107.221 108.800 -0.077 0.000 2.880 155 G HA2 0.252 4.213 3.960 0.001 0.000 0.209 155 G HA3 0.252 4.213 3.960 0.001 0.000 0.209 155 G C 1.068 175.941 174.900 -0.046 0.000 1.157 155 G CA 0.400 45.450 45.100 -0.084 0.000 0.779 155 G HN 0.377 nan 8.290 nan 0.000 0.539 156 G N -1.284 107.473 108.800 -0.072 0.000 2.137 156 G HA2 0.178 4.138 3.960 0.001 0.000 0.237 156 G HA3 0.178 4.138 3.960 0.001 0.000 0.237 156 G C 0.267 175.190 174.900 0.038 0.000 1.002 156 G CA 0.219 45.224 45.100 -0.159 0.000 0.702 156 G HN 1.359 nan 8.290 nan 0.000 0.515 157 A N -0.495 122.334 122.820 0.016 0.000 2.337 157 A HA 0.856 5.176 4.320 0.001 0.000 0.329 157 A C 0.066 177.718 177.584 0.114 0.000 1.146 157 A CA -0.516 51.569 52.037 0.079 0.000 0.800 157 A CB 1.441 20.358 19.000 -0.137 0.000 1.220 157 A HN 1.553 nan 8.150 nan 0.000 0.472 158 L N 1.954 123.201 121.223 0.041 0.000 2.410 158 L HA 0.323 4.663 4.340 0.001 0.000 0.273 158 L C 0.384 177.191 176.870 -0.105 0.000 1.152 158 L CA 0.719 55.313 54.840 -0.410 0.000 0.855 158 L CB 1.035 42.899 42.059 -0.325 0.000 1.129 158 L HN 0.483 nan 8.230 nan 0.000 0.463 159 S N 4.489 120.075 115.700 -0.189 0.000 3.869 159 S HA 0.051 4.522 4.470 0.001 0.000 0.241 159 S C 1.257 175.823 174.600 -0.057 0.000 1.363 159 S CA -0.083 58.055 58.200 -0.102 0.000 0.894 159 S CB 0.398 63.512 63.200 -0.143 0.000 1.519 159 S HN 0.678 nan 8.310 nan 0.000 0.470 160 V N 3.213 123.103 119.914 -0.041 0.000 2.392 160 V HA -0.254 3.866 4.120 0.001 0.000 0.249 160 V C 2.349 178.456 176.094 0.022 0.000 1.059 160 V CA 2.611 64.910 62.300 -0.002 0.000 1.051 160 V CB -0.294 31.554 31.823 0.042 0.000 0.658 160 V HN 0.852 nan 8.190 nan 0.000 0.455 161 E N 1.036 121.215 120.200 -0.035 0.000 2.150 161 E HA -0.059 4.292 4.350 0.001 0.000 0.193 161 E C 2.010 178.773 176.600 0.271 0.000 0.985 161 E CA 1.683 58.111 56.400 0.046 0.000 0.814 161 E CB -0.876 28.805 29.700 -0.032 0.000 0.752 161 E HN 0.550 nan 8.360 nan 0.000 0.466 162 A N 0.963 123.931 122.820 0.247 0.000 1.898 162 A HA -0.043 4.277 4.320 0.001 0.000 0.216 162 A C 2.199 180.213 177.584 0.717 0.000 1.181 162 A CA 1.375 53.698 52.037 0.477 0.000 0.620 162 A CB -0.749 18.354 19.000 0.173 0.000 0.819 162 A HN 0.316 nan 8.150 nan 0.000 0.442 163 L N -0.058 121.453 121.223 0.479 0.000 1.994 163 L HA -0.097 4.243 4.340 0.001 0.000 0.208 163 L C 2.337 179.371 176.870 0.274 0.000 1.071 163 L CA 1.755 56.795 54.840 0.333 0.000 0.745 163 L CB -0.530 41.582 42.059 0.088 0.000 0.892 163 L HN 0.409 nan 8.230 nan 0.000 0.431 164 L N -0.994 120.344 121.223 0.191 0.000 2.056 164 L HA -0.094 4.246 4.340 0.001 0.000 0.207 164 L C 2.530 179.449 176.870 0.082 0.000 1.078 164 L CA 1.195 56.107 54.840 0.121 0.000 0.749 164 L CB -1.499 40.611 42.059 0.085 0.000 0.901 164 L HN 0.459 nan 8.230 nan 0.000 0.433 165 G N -0.667 108.189 108.800 0.093 0.000 2.421 165 G HA2 -0.316 3.644 3.960 0.001 0.000 0.216 165 G HA3 -0.316 3.644 3.960 0.001 0.000 0.216 165 G C 1.290 175.799 174.900 -0.653 0.000 1.171 165 G CA 0.527 45.455 45.100 -0.287 0.000 0.775 165 G HN 0.449 nan 8.290 nan 0.000 0.543 166 W N 1.790 122.775 121.300 -0.525 0.000 2.381 166 W HA -0.034 4.626 4.660 0.000 0.000 0.301 166 W C 2.865 179.416 176.519 0.053 0.000 1.205 166 W CA 1.667 58.943 57.345 -0.115 0.000 1.285 166 W CB -0.178 29.647 29.460 0.608 0.000 1.133 166 W HN 0.191 nan 8.180 nan 0.000 0.521 167 S N 0.339 116.166 115.700 0.210 0.000 2.368 167 S HA -0.205 4.265 4.470 0.001 0.000 0.225 167 S C 1.995 176.547 174.600 -0.080 0.000 1.030 167 S CA 1.542 59.776 58.200 0.055 0.000 0.999 167 S CB -0.972 62.303 63.200 0.125 0.000 0.844 167 S HN 0.378 nan 8.310 nan 0.000 0.459 168 A N 1.357 124.131 122.820 -0.078 0.000 1.898 168 A HA 0.036 4.357 4.320 0.001 0.000 0.216 168 A C 2.116 179.636 177.584 -0.107 0.000 1.181 168 A CA 1.027 53.017 52.037 -0.078 0.000 0.620 168 A CB -0.661 18.302 19.000 -0.060 0.000 0.819 168 A HN 0.440 nan 8.150 nan 0.000 0.442 169 L N -0.347 120.767 121.223 -0.182 0.000 2.017 169 L HA -0.163 4.177 4.340 0.001 0.000 0.208 169 L C 2.495 179.309 176.870 -0.094 0.000 1.073 169 L CA 1.052 55.806 54.840 -0.143 0.000 0.745 169 L CB -0.484 41.456 42.059 -0.198 0.000 0.894 169 L HN 0.353 nan 8.230 nan 0.000 0.432 170 I N -0.034 120.373 120.570 -0.272 0.000 2.252 170 I HA -0.187 3.984 4.170 0.001 0.000 0.245 170 I C 2.647 178.617 176.117 -0.246 0.000 1.102 170 I CA 1.543 62.631 61.300 -0.354 0.000 1.385 170 I CB -1.304 36.260 38.000 -0.727 0.000 1.064 170 I HN 0.301 nan 8.210 nan 0.000 0.414 171 G N 0.702 109.394 108.800 -0.180 0.000 2.469 171 G HA2 -0.264 3.696 3.960 0.001 0.000 0.219 171 G HA3 -0.264 3.696 3.960 0.001 0.000 0.219 171 G C 1.647 176.477 174.900 -0.118 0.000 1.150 171 G CA 1.498 46.518 45.100 -0.134 0.000 0.763 171 G HN 0.298 nan 8.290 nan 0.000 0.561 172 T N 0.869 115.404 114.554 -0.031 0.000 2.746 172 T HA -0.044 4.306 4.350 0.001 0.000 0.267 172 T C 2.484 177.253 174.700 0.115 0.000 1.039 172 T CA 1.495 63.670 62.100 0.126 0.000 1.142 172 T CB -0.535 68.443 68.868 0.185 0.000 0.866 172 T HN 0.371 nan 8.240 nan 0.000 0.444 173 G N 1.206 110.021 108.800 0.025 0.000 2.402 173 G HA2 -0.100 3.860 3.960 0.001 0.000 0.216 173 G HA3 -0.100 3.860 3.960 0.001 0.000 0.216 173 G C 1.510 176.222 174.900 -0.313 0.000 1.162 173 G CA 0.353 45.434 45.100 -0.031 0.000 0.777 173 G HN 0.430 nan 8.290 nan 0.000 0.539 174 L N 0.117 121.150 121.223 -0.317 0.000 2.042 174 L HA -0.059 4.281 4.340 0.001 0.000 0.210 174 L C 2.855 179.562 176.870 -0.272 0.000 1.076 174 L CA 0.829 55.464 54.840 -0.341 0.000 0.749 174 L CB -0.326 41.582 42.059 -0.253 0.000 0.893 174 L HN 0.216 nan 8.230 nan 0.000 0.432 175 I N -0.840 119.592 120.570 -0.230 0.000 2.252 175 I HA -0.243 3.927 4.170 0.001 0.000 0.245 175 I C 2.443 178.508 176.117 -0.086 0.000 1.102 175 I CA 1.367 62.519 61.300 -0.247 0.000 1.385 175 I CB -0.484 37.163 38.000 -0.589 0.000 1.064 175 I HN 0.244 nan 8.210 nan 0.000 0.414 176 T N 0.024 114.594 114.554 0.026 0.000 2.821 176 T HA -0.115 4.235 4.350 0.001 0.000 0.267 176 T C 1.965 176.603 174.700 -0.103 0.000 1.046 176 T CA 1.583 63.739 62.100 0.093 0.000 1.139 176 T CB -0.115 68.864 68.868 0.183 0.000 0.871 176 T HN 0.266 nan 8.240 nan 0.000 0.454 177 S N 0.453 115.915 115.700 -0.397 0.000 2.515 177 S HA 0.086 4.556 4.470 0.001 0.000 0.231 177 S C 0.997 175.454 174.600 -0.238 0.000 0.987 177 S CA -0.072 57.827 58.200 -0.502 0.000 0.936 177 S CB -0.137 62.548 63.200 -0.858 0.000 0.766 177 S HN 0.383 nan 8.310 nan 0.000 0.528 178 R N 2.271 122.667 120.500 -0.173 0.000 2.537 178 R HA -0.018 4.323 4.340 0.001 0.000 0.281 178 R C 1.534 177.796 176.300 -0.063 0.000 0.988 178 R CA 0.488 56.521 56.100 -0.111 0.000 1.077 178 R CB 0.415 30.658 30.300 -0.097 0.000 0.932 178 R HN 0.383 nan 8.270 nan 0.000 0.409 179 S N 2.988 118.656 115.700 -0.054 0.000 2.365 179 S HA -0.135 4.335 4.470 0.001 0.000 0.221 179 S C 0.188 174.780 174.600 -0.015 0.000 1.037 179 S CA 1.050 59.233 58.200 -0.029 0.000 1.060 179 S CB 0.066 63.249 63.200 -0.027 0.000 0.974 179 S HN 0.662 nan 8.310 nan 0.000 0.427 180 D N 1.683 122.072 120.400 -0.019 0.000 2.502 180 D HA 0.621 5.261 4.640 0.001 0.000 0.249 180 D C -0.598 175.695 176.300 -0.012 0.000 1.092 180 D CA -0.212 53.782 54.000 -0.009 0.000 0.839 180 D CB 1.834 42.629 40.800 -0.009 0.000 1.264 180 D HN 0.516 nan 8.370 nan 0.000 0.511 181 A N 3.253 126.075 122.820 0.003 0.000 2.546 181 A HA 0.134 4.455 4.320 0.001 0.000 0.243 181 A C 0.499 178.080 177.584 -0.006 0.000 1.063 181 A CA 0.257 52.299 52.037 0.008 0.000 0.757 181 A CB 0.216 19.236 19.000 0.033 0.000 0.991 181 A HN 0.465 nan 8.150 nan 0.000 0.503 182 R N 2.666 123.153 120.500 -0.022 0.000 2.598 182 R HA 0.346 4.686 4.340 0.001 0.000 0.279 182 R C -1.920 174.368 176.300 -0.019 0.000 0.984 182 R CA -1.804 54.279 56.100 -0.028 0.000 0.999 182 R CB 0.584 30.854 30.300 -0.050 0.000 1.114 182 R HN 0.416 nan 8.270 nan 0.000 0.493 183 P HA -0.222 nan 4.420 nan 0.000 0.218 183 P C 0.741 178.034 177.300 -0.011 0.000 1.148 183 P CA 1.207 64.303 63.100 -0.007 0.000 0.822 183 P CB 0.246 31.942 31.700 -0.007 0.000 0.784 184 E N -0.818 119.364 120.200 -0.029 0.000 2.371 184 E HA -0.127 4.224 4.350 0.001 0.000 0.194 184 E C 0.964 177.522 176.600 -0.069 0.000 1.012 184 E CA 0.749 57.125 56.400 -0.041 0.000 0.860 184 E CB -0.938 28.732 29.700 -0.049 0.000 0.811 184 E HN 0.207 nan 8.360 nan 0.000 0.502 185 D N 2.368 122.714 120.400 -0.091 0.000 2.149 185 D HA -0.173 4.468 4.640 0.001 0.000 0.194 185 D C 1.949 178.198 176.300 -0.084 0.000 1.001 185 D CA 2.149 56.035 54.000 -0.190 0.000 0.849 185 D CB -0.337 40.381 40.800 -0.136 0.000 0.939 185 D HN 0.360 nan 8.370 nan 0.000 0.449 186 A N 1.121 123.985 122.820 0.073 0.000 1.865 186 A HA -0.127 4.194 4.320 0.001 0.000 0.217 186 A C 2.370 180.028 177.584 0.124 0.000 1.191 186 A CA 2.791 54.928 52.037 0.167 0.000 0.623 186 A CB -0.927 18.135 19.000 0.102 0.000 0.826 186 A HN 0.266 nan 8.150 nan 0.000 0.444 187 A N -0.210 122.638 122.820 0.047 0.000 1.902 187 A HA -0.185 4.135 4.320 0.001 0.000 0.217 187 A C 1.785 179.381 177.584 0.018 0.000 1.181 187 A CA 1.944 54.000 52.037 0.031 0.000 0.623 187 A CB -0.661 18.344 19.000 0.008 0.000 0.818 187 A HN 0.480 nan 8.150 nan 0.000 0.443 188 D N -0.735 119.638 120.400 -0.045 0.000 2.123 188 D HA -0.132 4.509 4.640 0.001 0.000 0.196 188 D C 1.571 177.847 176.300 -0.041 0.000 0.992 188 D CA 1.065 55.009 54.000 -0.093 0.000 0.833 188 D CB -0.480 40.194 40.800 -0.211 0.000 0.954 188 D HN 0.405 nan 8.370 nan 0.000 0.455 189 F N 0.877 120.819 119.950 -0.014 0.000 2.126 189 F HA -0.173 4.354 4.527 0.000 0.000 0.299 189 F C 2.502 178.297 175.800 -0.008 0.000 1.096 189 F CA 0.488 58.480 58.000 -0.013 0.000 1.255 189 F CB -0.840 38.154 39.000 -0.010 0.000 0.997 189 F HN -0.147 nan 8.300 nan 0.000 0.479 190 V N -0.582 119.448 119.914 0.193 0.000 2.358 190 V HA -0.293 3.827 4.120 0.001 0.000 0.246 190 V C 2.295 178.434 176.094 0.075 0.000 1.047 190 V CA 1.832 64.196 62.300 0.107 0.000 1.035 190 V CB -0.723 31.146 31.823 0.076 0.000 0.658 190 V HN 0.345 nan 8.190 nan 0.000 0.452 191 Q N -0.543 119.291 119.800 0.057 0.000 2.124 191 Q HA -0.134 4.206 4.340 0.001 0.000 0.202 191 Q C 2.316 178.340 176.000 0.039 0.000 0.977 191 Q CA 1.432 57.257 55.803 0.036 0.000 0.850 191 Q CB -0.183 28.565 28.738 0.015 0.000 0.901 191 Q HN 0.567 nan 8.270 nan 0.000 0.429 192 L N -0.160 121.092 121.223 0.048 0.000 2.093 192 L HA -0.156 4.184 4.340 0.001 0.000 0.208 192 L C 2.472 179.373 176.870 0.053 0.000 1.085 192 L CA 0.909 55.776 54.840 0.045 0.000 0.755 192 L CB -0.547 41.548 42.059 0.060 0.000 0.904 192 L HN 0.185 nan 8.230 nan 0.000 0.435 193 A N 0.093 122.956 122.820 0.071 0.000 1.930 193 A HA -0.126 4.194 4.320 0.001 0.000 0.217 193 A C 2.538 180.151 177.584 0.047 0.000 1.175 193 A CA 1.566 53.636 52.037 0.056 0.000 0.627 193 A CB -0.614 18.419 19.000 0.055 0.000 0.815 193 A HN 0.385 nan 8.150 nan 0.000 0.443 194 A N -0.063 122.785 122.820 0.047 0.000 1.933 194 A HA -0.066 4.254 4.320 0.001 0.000 0.218 194 A C 2.096 179.708 177.584 0.047 0.000 1.175 194 A CA 1.479 53.543 52.037 0.044 0.000 0.628 194 A CB -0.547 18.477 19.000 0.040 0.000 0.814 194 A HN 0.512 nan 8.150 nan 0.000 0.444 195 I N -0.531 120.066 120.570 0.044 0.000 2.202 195 I HA -0.227 3.943 4.170 0.001 0.000 0.242 195 I C 2.287 178.438 176.117 0.057 0.000 1.091 195 I CA 1.078 62.405 61.300 0.046 0.000 1.368 195 I CB -0.348 37.672 38.000 0.034 0.000 1.058 195 I HN 0.267 nan 8.210 nan 0.000 0.410 196 L N 0.594 121.846 121.223 0.048 0.000 2.191 196 L HA -0.200 4.141 4.340 0.001 0.000 0.212 196 L C 1.988 178.905 176.870 0.078 0.000 1.103 196 L CA 1.040 55.916 54.840 0.061 0.000 0.769 196 L CB -0.643 41.440 42.059 0.040 0.000 0.908 196 L HN 0.339 nan 8.230 nan 0.000 0.438 197 N N -0.681 118.058 118.700 0.065 0.000 2.457 197 N HA -0.084 4.656 4.740 0.001 0.000 0.180 197 N C 0.122 175.679 175.510 0.079 0.000 1.050 197 N CA 0.826 53.914 53.050 0.062 0.000 0.906 197 N CB 0.103 38.619 38.487 0.048 0.000 0.968 197 N HN 0.220 nan 8.380 nan 0.000 0.445 198 D N -0.334 120.121 120.400 0.092 0.000 2.823 198 D HA 0.123 4.764 4.640 0.001 0.000 0.255 198 D C 0.777 177.141 176.300 0.106 0.000 1.257 198 D CA -0.202 53.864 54.000 0.109 0.000 0.803 198 D CB 0.120 40.970 40.800 0.083 0.000 1.384 198 D HN -0.313 nan 8.370 nan 0.000 0.541 199 V N 1.364 121.367 119.914 0.148 0.000 2.407 199 V HA -0.162 3.958 4.120 0.001 0.000 0.248 199 V C 2.619 178.680 176.094 -0.054 0.000 1.055 199 V CA 2.117 64.469 62.300 0.087 0.000 1.049 199 V CB -0.708 31.212 31.823 0.163 0.000 0.662 199 V HN 0.543 nan 8.190 nan 0.000 0.455 200 A N 0.750 123.467 122.820 -0.171 0.000 1.902 200 A HA -0.093 4.227 4.320 0.001 0.000 0.217 200 A C 2.433 180.022 177.584 0.007 0.000 1.181 200 A CA 1.974 53.815 52.037 -0.327 0.000 0.623 200 A CB -1.219 17.555 19.000 -0.376 0.000 0.818 200 A HN 0.523 nan 8.150 nan 0.000 0.443 201 G N -0.572 108.263 108.800 0.059 0.000 2.418 201 G HA2 0.013 3.973 3.960 0.001 0.000 0.217 201 G HA3 0.013 3.973 3.960 0.001 0.000 0.217 201 G C 1.734 176.691 174.900 0.094 0.000 1.158 201 G CA 1.402 46.559 45.100 0.096 0.000 0.771 201 G HN 0.805 nan 8.290 nan 0.000 0.545 202 A N 1.022 123.884 122.820 0.071 0.000 1.933 202 A HA 0.333 4.653 4.320 0.001 0.000 0.218 202 A C 2.678 180.316 177.584 0.089 0.000 1.175 202 A CA 2.047 54.124 52.037 0.068 0.000 0.628 202 A CB -0.564 18.468 19.000 0.054 0.000 0.814 202 A HN 0.785 nan 8.150 nan 0.000 0.444 203 A N -0.882 121.998 122.820 0.099 0.000 2.167 203 A HA 0.144 4.464 4.320 0.001 0.000 0.214 203 A C 2.079 179.884 177.584 0.368 0.000 1.151 203 A CA 1.359 53.500 52.037 0.174 0.000 0.735 203 A CB -0.404 18.602 19.000 0.010 0.000 0.802 203 A HN 0.388 nan 8.150 nan 0.000 0.467 204 S N -0.307 115.587 115.700 0.324 0.000 2.528 204 S HA 0.091 4.562 4.470 0.001 0.000 0.219 204 S C 0.881 175.532 174.600 0.085 0.000 0.985 204 S CA 0.387 58.714 58.200 0.211 0.000 0.914 204 S CB -0.527 62.776 63.200 0.173 0.000 0.776 204 S HN 0.637 nan 8.310 nan 0.000 0.526 205 V N 2.203 122.170 119.914 0.088 0.000 2.843 205 V HA 0.569 4.689 4.120 0.001 0.000 0.305 205 V C 0.037 176.156 176.094 0.041 0.000 1.065 205 V CA -0.383 61.948 62.300 0.052 0.000 1.116 205 V CB 0.596 32.448 31.823 0.049 0.000 0.968 205 V HN 0.323 nan 8.190 nan 0.000 0.487 206 T N 1.996 116.563 114.554 0.022 0.000 2.916 206 T HA 0.701 5.051 4.350 0.001 0.000 0.298 206 T C -2.827 171.880 174.700 0.012 0.000 1.031 206 T CA -1.585 60.524 62.100 0.016 0.000 0.993 206 T CB 1.462 70.330 68.868 0.000 0.000 1.045 206 T HN 0.705 nan 8.240 nan 0.000 0.454 207 P HA 0.211 nan 4.420 nan 0.000 0.271 207 P C 0.830 178.147 177.300 0.028 0.000 1.216 207 P CA -0.797 62.315 63.100 0.019 0.000 0.776 207 P CB 0.591 32.300 31.700 0.015 0.000 0.881 208 L N 3.833 125.079 121.223 0.038 0.000 2.046 208 L HA -0.117 4.223 4.340 0.001 0.000 0.208 208 L C 2.006 178.900 176.870 0.039 0.000 1.077 208 L CA 2.171 57.041 54.840 0.050 0.000 0.747 208 L CB -1.620 40.480 42.059 0.068 0.000 0.896 208 L HN 0.452 nan 8.230 nan 0.000 0.432 209 A N -1.056 121.784 122.820 0.032 0.000 2.131 209 A HA -0.176 4.144 4.320 0.001 0.000 0.220 209 A C 1.223 178.816 177.584 0.014 0.000 1.158 209 A CA 0.880 52.929 52.037 0.021 0.000 0.665 209 A CB -0.801 18.208 19.000 0.015 0.000 0.795 209 A HN 0.619 nan 8.150 nan 0.000 0.460 210 E N 1.233 121.443 120.200 0.017 0.000 1.941 210 E HA 0.178 4.528 4.350 0.001 0.000 0.275 210 E C -0.760 175.850 176.600 0.016 0.000 1.113 210 E CA -0.134 56.274 56.400 0.013 0.000 0.878 210 E CB 0.322 30.029 29.700 0.012 0.000 1.070 210 E HN 0.286 nan 8.360 nan 0.000 0.399 211 Q N 3.251 123.059 119.800 0.013 0.000 2.607 211 Q HA 0.179 4.519 4.340 0.001 0.000 0.247 211 Q C -2.073 173.933 176.000 0.009 0.000 1.033 211 Q CA -1.880 53.932 55.803 0.015 0.000 0.769 211 Q CB 1.291 30.040 28.738 0.017 0.000 1.169 211 Q HN 0.354 nan 8.270 nan 0.000 0.508 212 P HA -0.192 nan 4.420 nan 0.000 0.216 212 P C 1.309 178.608 177.300 -0.003 0.000 1.153 212 P CA 0.812 63.914 63.100 0.002 0.000 0.858 212 P CB 0.445 32.147 31.700 0.003 0.000 0.789 213 L N -1.272 119.950 121.223 -0.002 0.000 2.062 213 L HA -0.017 4.323 4.340 0.001 0.000 0.202 213 L C 2.248 179.112 176.870 -0.010 0.000 1.079 213 L CA 1.589 56.423 54.840 -0.011 0.000 0.755 213 L CB -1.340 40.713 42.059 -0.010 0.000 0.913 213 L HN -0.187 nan 8.230 nan 0.000 0.445 214 L N -0.244 120.980 121.223 0.001 0.000 2.042 214 L HA -0.131 4.209 4.340 0.001 0.000 0.210 214 L C 2.479 179.360 176.870 0.019 0.000 1.076 214 L CA 1.319 56.165 54.840 0.010 0.000 0.749 214 L CB -1.483 40.590 42.059 0.023 0.000 0.893 214 L HN 0.523 nan 8.230 nan 0.000 0.432 215 G N -0.388 108.421 108.800 0.015 0.000 2.470 215 G HA2 -0.250 3.711 3.960 0.001 0.000 0.220 215 G HA3 -0.250 3.711 3.960 0.001 0.000 0.220 215 G C 1.778 176.687 174.900 0.014 0.000 1.121 215 G CA 0.601 45.711 45.100 0.016 0.000 0.766 215 G HN 0.313 nan 8.290 nan 0.000 0.553 216 R N -0.325 120.177 120.500 0.003 0.000 2.090 216 R HA 0.237 4.577 4.340 0.001 0.000 0.219 216 R C 2.319 178.614 176.300 -0.008 0.000 1.100 216 R CA 0.352 56.449 56.100 -0.005 0.000 0.991 216 R CB -0.276 30.014 30.300 -0.016 0.000 0.893 216 R HN 0.338 nan 8.270 nan 0.000 0.443 217 L N 0.401 121.615 121.223 -0.015 0.000 2.109 217 L HA 0.059 4.400 4.340 0.001 0.000 0.207 217 L C 0.743 177.621 176.870 0.014 0.000 1.086 217 L CA 0.948 55.773 54.840 -0.025 0.000 0.760 217 L CB 0.118 42.145 42.059 -0.053 0.000 0.910 217 L HN 0.192 nan 8.230 nan 0.000 0.437 218 I N -0.905 119.693 120.570 0.046 0.000 2.719 218 I HA 0.161 4.332 4.170 0.001 0.000 0.275 218 I C -1.908 174.283 176.117 0.124 0.000 1.228 218 I CA -1.272 60.092 61.300 0.107 0.000 1.035 218 I CB 1.579 39.670 38.000 0.153 0.000 1.286 218 I HN -0.210 nan 8.210 nan 0.000 0.531 219 P HA -0.222 nan 4.420 nan 0.000 0.217 219 P C 1.511 178.878 177.300 0.112 0.000 1.148 219 P CA 1.492 64.641 63.100 0.081 0.000 0.834 219 P CB 0.136 31.874 31.700 0.063 0.000 0.783 220 W N 0.064 121.347 121.300 -0.029 0.000 2.325 220 W HA -0.215 4.446 4.660 0.001 0.000 0.299 220 W C 2.200 178.701 176.519 -0.031 0.000 1.215 220 W CA 1.291 58.611 57.345 -0.042 0.000 1.244 220 W CB -1.005 28.415 29.460 -0.067 0.000 1.140 220 W HN -0.228 nan 8.180 nan 0.000 0.523 221 V N 0.999 120.964 119.914 0.085 0.000 2.380 221 V HA -0.303 3.818 4.120 0.001 0.000 0.251 221 V C 1.836 177.823 176.094 -0.178 0.000 1.063 221 V CA 2.316 64.571 62.300 -0.075 0.000 1.055 221 V CB -0.436 31.416 31.823 0.048 0.000 0.657 221 V HN 0.195 nan 8.190 nan 0.000 0.455 222 I N -0.523 119.982 120.570 -0.110 0.000 2.685 222 I HA 0.063 4.233 4.170 0.001 0.000 0.251 222 I C 2.247 178.293 176.117 -0.119 0.000 1.102 222 I CA 1.029 62.276 61.300 -0.089 0.000 1.442 222 I CB -1.627 36.351 38.000 -0.037 0.000 1.194 222 I HN 0.269 nan 8.210 nan 0.000 0.448 223 D N 0.858 121.193 120.400 -0.108 0.000 2.133 223 D HA -0.249 4.391 4.640 0.001 0.000 0.195 223 D C 2.059 178.289 176.300 -0.117 0.000 0.997 223 D CA 1.639 55.588 54.000 -0.086 0.000 0.840 223 D CB 0.044 40.824 40.800 -0.032 0.000 0.947 223 D HN 0.355 nan 8.370 nan 0.000 0.452 224 Q N 0.148 119.711 119.800 -0.395 0.000 2.389 224 Q HA 0.032 4.373 4.340 0.001 0.000 0.198 224 Q C 2.047 177.794 176.000 -0.422 0.000 0.967 224 Q CA 0.667 56.139 55.803 -0.552 0.000 0.863 224 Q CB -0.287 27.664 28.738 -1.312 0.000 0.987 224 Q HN 0.059 nan 8.270 nan 0.000 0.557 225 V N 0.377 119.921 119.914 -0.617 0.000 2.221 225 V HA -0.188 3.932 4.120 0.001 0.000 0.242 225 V C 2.338 178.562 176.094 0.215 0.000 1.041 225 V CA 1.825 64.071 62.300 -0.090 0.000 0.995 225 V CB -0.936 30.674 31.823 -0.356 0.000 0.635 225 V HN 0.279 nan 8.190 nan 0.000 0.448 226 V N 0.441 120.377 119.914 0.036 0.000 2.343 226 V HA -0.247 3.873 4.120 0.001 0.000 0.247 226 V C 2.120 178.285 176.094 0.117 0.000 1.051 226 V CA 2.174 64.535 62.300 0.101 0.000 1.036 226 V CB -0.783 31.054 31.823 0.022 0.000 0.654 226 V HN 0.548 nan 8.190 nan 0.000 0.451 227 D N -1.480 118.927 120.400 0.011 0.000 2.348 227 D HA -0.038 4.602 4.640 0.001 0.000 0.216 227 D C 0.890 177.038 176.300 -0.253 0.000 0.970 227 D CA 0.775 54.702 54.000 -0.122 0.000 0.889 227 D CB -0.175 40.490 40.800 -0.224 0.000 0.912 227 D HN 0.510 nan 8.370 nan 0.000 0.524 228 H N 0.021 119.177 119.070 0.144 0.000 2.418 228 H HA 0.147 4.703 4.556 0.001 0.000 0.238 228 H C -1.594 173.917 175.328 0.305 0.000 1.403 228 H CA -1.271 54.901 56.048 0.206 0.000 1.419 228 H CB 1.519 31.348 29.762 0.110 0.000 1.463 228 H HN 0.072 nan 8.280 nan 0.000 0.515 229 P HA -0.071 nan 4.420 nan 0.000 0.225 229 P C 0.057 177.322 177.300 -0.058 0.000 1.156 229 P CA 0.522 63.669 63.100 0.079 0.000 0.787 229 P CB 0.660 32.537 31.700 0.295 0.000 0.802 230 D N 0.708 121.173 120.400 0.107 0.000 2.264 230 D HA 0.060 4.701 4.640 0.001 0.000 0.249 230 D C 0.396 176.598 176.300 -0.164 0.000 1.070 230 D CA -0.202 53.802 54.000 0.008 0.000 0.912 230 D CB 0.000 40.889 40.800 0.148 0.000 1.193 230 D HN -0.140 nan 8.370 nan 0.000 0.427 231 N N 1.681 120.032 118.700 -0.581 0.000 3.178 231 N HA -0.002 4.738 4.740 0.001 0.000 0.300 231 N C -0.807 174.579 175.510 -0.206 0.000 1.242 231 N CA -0.395 52.160 53.050 -0.825 0.000 1.192 231 N CB -0.244 37.467 38.487 -1.294 0.000 1.463 231 N HN 0.281 nan 8.380 nan 0.000 0.539 232 D N -0.903 119.537 120.400 0.067 0.000 2.425 232 D HA 0.083 4.723 4.640 0.001 0.000 0.274 232 D C 0.968 177.305 176.300 0.061 0.000 1.242 232 D CA -0.257 53.785 54.000 0.070 0.000 1.060 232 D CB 0.426 41.297 40.800 0.118 0.000 1.112 232 D HN -0.049 nan 8.370 nan 0.000 0.561 233 E N -0.604 119.607 120.200 0.019 0.000 2.160 233 E HA -0.171 4.179 4.350 0.001 0.000 0.195 233 E C 2.089 178.658 176.600 -0.052 0.000 0.991 233 E CA 1.441 57.839 56.400 -0.004 0.000 0.810 233 E CB -0.512 29.183 29.700 -0.008 0.000 0.742 233 E HN 0.586 nan 8.360 nan 0.000 0.466 234 S N -0.734 114.861 115.700 -0.175 0.000 2.399 234 S HA -0.173 4.297 4.470 0.001 0.000 0.231 234 S C 1.935 176.351 174.600 -0.307 0.000 1.022 234 S CA 0.906 58.885 58.200 -0.369 0.000 0.983 234 S CB -0.695 61.981 63.200 -0.874 0.000 0.803 234 S HN 0.346 nan 8.310 nan 0.000 0.480 235 W N 1.811 123.068 121.300 -0.071 0.000 2.488 235 W HA 0.202 4.862 4.660 0.000 0.000 0.304 235 W C 2.951 179.476 176.519 0.010 0.000 1.175 235 W CA 0.343 57.697 57.345 0.015 0.000 1.365 235 W CB -0.388 29.075 29.460 0.005 0.000 1.131 235 W HN 0.271 nan 8.180 nan 0.000 0.520 236 Q N -0.007 119.916 119.800 0.206 0.000 2.308 236 Q HA -0.225 4.115 4.340 0.001 0.000 0.209 236 Q C 2.203 178.259 176.000 0.092 0.000 0.985 236 Q CA 1.647 57.519 55.803 0.114 0.000 0.881 236 Q CB -0.482 28.290 28.738 0.055 0.000 0.917 236 Q HN 0.189 nan 8.270 nan 0.000 0.443 237 S N 0.882 116.625 115.700 0.073 0.000 2.402 237 S HA -0.081 4.389 4.470 0.001 0.000 0.229 237 S C 1.757 176.403 174.600 0.077 0.000 1.021 237 S CA 0.912 59.142 58.200 0.050 0.000 0.974 237 S CB -0.072 63.136 63.200 0.012 0.000 0.800 237 S HN 0.537 nan 8.310 nan 0.000 0.484 238 I N -0.776 119.866 120.570 0.120 0.000 3.956 238 I HA 0.380 4.550 4.170 0.001 0.000 0.333 238 I C 0.654 176.854 176.117 0.139 0.000 1.302 238 I CA -0.415 60.968 61.300 0.138 0.000 1.122 238 I CB 0.052 38.166 38.000 0.189 0.000 1.013 238 I HN 0.116 nan 8.210 nan 0.000 0.405 239 S N 1.459 117.247 115.700 0.147 0.000 2.565 239 S HA 0.388 4.859 4.470 0.001 0.000 0.276 239 S C 0.777 175.434 174.600 0.095 0.000 1.326 239 S CA -0.534 57.742 58.200 0.126 0.000 1.045 239 S CB 1.008 64.286 63.200 0.129 0.000 0.918 239 S HN 0.327 nan 8.310 nan 0.000 0.505 240 L N 4.693 125.966 121.223 0.083 0.000 2.672 240 L HA 0.241 4.581 4.340 0.001 0.000 0.236 240 L C 1.631 178.505 176.870 0.007 0.000 1.092 240 L CA 0.386 55.259 54.840 0.054 0.000 0.887 240 L CB -1.915 40.188 42.059 0.073 0.000 1.168 240 L HN 0.720 nan 8.230 nan 0.000 0.502 241 F N 2.488 122.365 119.950 -0.122 0.000 2.063 241 F HA -0.301 4.226 4.527 0.001 0.000 0.298 241 F C 2.240 177.976 175.800 -0.107 0.000 1.105 241 F CA 2.137 60.041 58.000 -0.159 0.000 1.215 241 F CB 0.172 39.092 39.000 -0.135 0.000 0.972 241 F HN 0.108 nan 8.300 nan 0.000 0.483 242 E N -0.174 120.035 120.200 0.015 0.000 2.160 242 E HA -0.195 4.156 4.350 0.001 0.000 0.195 242 E C 2.190 178.716 176.600 -0.123 0.000 0.991 242 E CA 1.349 57.720 56.400 -0.048 0.000 0.810 242 E CB -0.318 29.401 29.700 0.031 0.000 0.742 242 E HN 0.416 nan 8.360 nan 0.000 0.466 243 R N -0.393 120.047 120.500 -0.100 0.000 2.275 243 R HA 0.060 4.400 4.340 0.001 0.000 0.199 243 R C 1.517 177.747 176.300 -0.116 0.000 0.989 243 R CA 0.064 56.117 56.100 -0.077 0.000 1.016 243 R CB -0.006 30.283 30.300 -0.020 0.000 0.918 243 R HN 0.109 nan 8.270 nan 0.000 0.473 244 L N -0.345 120.736 121.223 -0.237 0.000 2.083 244 L HA -0.047 4.293 4.340 0.001 0.000 0.209 244 L C 2.370 179.114 176.870 -0.210 0.000 1.083 244 L CA 1.785 56.473 54.840 -0.254 0.000 0.752 244 L CB -0.932 40.818 42.059 -0.516 0.000 0.899 244 L HN 0.224 nan 8.230 nan 0.000 0.433 245 G N -1.189 107.458 108.800 -0.256 0.000 2.448 245 G HA2 -0.179 3.781 3.960 0.001 0.000 0.219 245 G HA3 -0.179 3.781 3.960 0.001 0.000 0.219 245 G C 1.537 176.379 174.900 -0.098 0.000 1.127 245 G CA 0.708 45.703 45.100 -0.176 0.000 0.766 245 G HN 0.518 nan 8.290 nan 0.000 0.552 246 G N -0.252 108.501 108.800 -0.079 0.000 2.880 246 G HA2 0.338 4.298 3.960 0.001 0.000 0.209 246 G HA3 0.338 4.298 3.960 0.001 0.000 0.209 246 G C 0.715 175.601 174.900 -0.023 0.000 1.157 246 G CA -0.402 44.672 45.100 -0.043 0.000 0.779 246 G HN 0.362 nan 8.290 nan 0.000 0.539 247 L N -0.153 121.060 121.223 -0.018 0.000 2.475 247 L HA 0.553 4.893 4.340 0.001 0.000 0.253 247 L C 0.799 177.673 176.870 0.007 0.000 1.198 247 L CA -0.386 54.462 54.840 0.013 0.000 0.814 247 L CB 1.389 43.482 42.059 0.058 0.000 1.134 247 L HN 0.043 nan 8.230 nan 0.000 0.478 248 A N 0.222 123.050 122.820 0.014 0.000 2.897 248 A HA 0.352 4.672 4.320 0.001 0.000 0.230 248 A C -0.201 177.381 177.584 -0.004 0.000 0.896 248 A CA -0.283 51.755 52.037 0.002 0.000 1.114 248 A CB 0.205 19.203 19.000 -0.003 0.000 1.230 248 A HN 0.589 nan 8.150 nan 0.000 0.481 249 T N 2.786 117.349 114.554 0.015 0.000 2.758 249 T HA 0.494 4.844 4.350 0.001 0.000 0.285 249 T C -2.813 171.880 174.700 -0.012 0.000 0.981 249 T CA -1.055 61.041 62.100 -0.007 0.000 0.965 249 T CB 1.336 70.219 68.868 0.024 0.000 0.927 249 T HN 0.146 nan 8.240 nan 0.000 0.448 250 P HA 0.372 nan 4.420 nan 0.000 0.265 250 P C -1.280 176.143 177.300 0.205 0.000 1.193 250 P CA -0.173 62.872 63.100 -0.093 0.000 0.765 250 P CB 0.459 31.673 31.700 -0.810 0.000 0.823 251 A N 3.662 126.659 122.820 0.295 0.000 2.408 251 A HA 0.494 4.814 4.320 0.001 0.000 0.295 251 A C -1.196 176.315 177.584 -0.121 0.000 1.040 251 A CA -0.651 51.459 52.037 0.123 0.000 0.707 251 A CB 0.790 19.846 19.000 0.093 0.000 1.235 251 A HN 0.588 nan 8.150 nan 0.000 0.418 252 L N 4.401 125.295 121.223 -0.548 0.000 2.270 252 L HA 0.549 4.890 4.340 0.001 0.000 0.286 252 L C -1.186 175.494 176.870 -0.316 0.000 1.059 252 L CA -0.524 53.851 54.840 -0.774 0.000 0.839 252 L CB 0.026 41.210 42.059 -1.458 0.000 1.221 252 L HN 0.649 nan 8.230 nan 0.000 0.431 253 I N 3.940 124.446 120.570 -0.107 0.000 2.331 253 I HA 0.310 4.480 4.170 0.001 0.000 0.292 253 I C 0.053 176.159 176.117 -0.018 0.000 0.998 253 I CA -0.143 61.170 61.300 0.023 0.000 1.267 253 I CB 1.744 39.856 38.000 0.188 0.000 1.386 253 I HN 0.458 nan 8.210 nan 0.000 0.476 254 T N 5.165 119.743 114.554 0.039 0.000 2.856 254 T HA 0.827 5.177 4.350 0.001 0.000 0.283 254 T C -0.354 174.385 174.700 0.065 0.000 1.008 254 T CA -0.568 61.580 62.100 0.080 0.000 0.997 254 T CB 1.966 70.957 68.868 0.205 0.000 0.992 254 T HN 0.729 nan 8.240 nan 0.000 0.454 255 A N 1.304 124.133 122.820 0.015 0.000 2.583 255 A HA 0.985 5.305 4.320 0.001 0.000 0.289 255 A C -0.559 176.972 177.584 -0.088 0.000 1.151 255 A CA -0.760 51.248 52.037 -0.050 0.000 0.695 255 A CB 1.593 20.463 19.000 -0.217 0.000 1.290 255 A HN 1.087 nan 8.150 nan 0.000 0.419 256 G N -1.715 107.021 108.800 -0.106 0.000 2.662 256 G HA2 0.473 4.433 3.960 0.001 0.000 0.302 256 G HA3 0.473 4.433 3.960 0.001 0.000 0.302 256 G C -0.126 174.628 174.900 -0.244 0.000 1.389 256 G CA -0.511 44.490 45.100 -0.166 0.000 0.998 256 G HN 0.785 nan 8.290 nan 0.000 0.502 257 W N 0.524 121.680 121.300 -0.241 0.000 2.364 257 W HA -0.084 4.577 4.660 0.000 0.000 0.281 257 W C 0.894 177.120 176.519 -0.489 0.000 1.219 257 W CA 0.308 57.410 57.345 -0.404 0.000 1.220 257 W CB 0.037 29.140 29.460 -0.594 0.000 1.127 257 W HN 0.592 nan 8.180 nan 0.000 0.556 258 Y N -0.516 119.902 120.300 0.195 0.000 2.681 258 Y HA 0.189 4.739 4.550 0.001 0.000 0.267 258 Y C -0.102 175.878 175.900 0.133 0.000 1.166 258 Y CA -0.742 57.452 58.100 0.156 0.000 1.209 258 Y CB -0.366 38.187 38.460 0.156 0.000 1.161 258 Y HN -0.266 nan 8.280 nan 0.000 0.534 259 D N -0.705 119.825 120.400 0.216 0.000 2.210 259 D HA 0.275 4.915 4.640 0.001 0.000 0.249 259 D C 1.600 177.980 176.300 0.133 0.000 1.078 259 D CA 0.169 54.311 54.000 0.236 0.000 0.875 259 D CB 1.454 42.429 40.800 0.291 0.000 1.175 259 D HN 0.323 nan 8.370 nan 0.000 0.440 260 G N 2.217 111.039 108.800 0.036 0.000 2.485 260 G HA2 -0.252 3.708 3.960 0.001 0.000 0.221 260 G HA3 -0.252 3.708 3.960 0.001 0.000 0.221 260 G C 0.920 175.637 174.900 -0.304 0.000 1.115 260 G CA 0.539 45.507 45.100 -0.221 0.000 0.751 260 G HN 0.551 nan 8.290 nan 0.000 0.567 261 F N -0.395 119.493 119.950 -0.103 0.000 2.765 261 F HA 0.264 4.791 4.527 0.001 0.000 0.302 261 F C 2.216 177.991 175.800 -0.042 0.000 1.111 261 F CA -0.505 57.442 58.000 -0.088 0.000 1.359 261 F CB -0.063 38.903 39.000 -0.058 0.000 1.097 261 F HN 0.006 nan 8.300 nan 0.000 0.577 262 V N 0.799 120.789 119.914 0.126 0.000 2.278 262 V HA -0.302 3.819 4.120 0.001 0.000 0.251 262 V C 2.448 178.567 176.094 0.042 0.000 1.062 262 V CA 2.634 64.966 62.300 0.053 0.000 1.038 262 V CB -0.920 30.922 31.823 0.032 0.000 0.646 262 V HN 0.435 nan 8.190 nan 0.000 0.447 263 G N -1.109 107.718 108.800 0.045 0.000 2.446 263 G HA2 -0.233 3.727 3.960 0.001 0.000 0.217 263 G HA3 -0.233 3.727 3.960 0.001 0.000 0.217 263 G C 1.456 176.375 174.900 0.030 0.000 1.168 263 G CA 0.864 45.994 45.100 0.049 0.000 0.771 263 G HN 0.554 nan 8.290 nan 0.000 0.551 264 E N 0.873 121.078 120.200 0.008 0.000 2.152 264 E HA -0.007 4.343 4.350 0.001 0.000 0.192 264 E C 2.906 179.545 176.600 0.064 0.000 0.983 264 E CA 0.667 57.064 56.400 -0.006 0.000 0.818 264 E CB -0.298 29.388 29.700 -0.023 0.000 0.758 264 E HN 0.336 nan 8.360 nan 0.000 0.467 265 S N 1.176 116.937 115.700 0.102 0.000 2.356 265 S HA -0.079 4.391 4.470 0.001 0.000 0.223 265 S C 2.144 176.806 174.600 0.103 0.000 1.032 265 S CA 0.791 59.065 58.200 0.124 0.000 1.005 265 S CB -0.236 63.016 63.200 0.087 0.000 0.867 265 S HN 0.186 nan 8.310 nan 0.000 0.449 266 L N 0.853 122.097 121.223 0.035 0.000 2.083 266 L HA -0.086 4.255 4.340 0.001 0.000 0.209 266 L C 2.698 179.714 176.870 0.243 0.000 1.083 266 L CA 1.198 56.056 54.840 0.031 0.000 0.752 266 L CB -0.427 41.610 42.059 -0.037 0.000 0.899 266 L HN 0.209 nan 8.230 nan 0.000 0.433 267 R N -0.342 120.283 120.500 0.208 0.000 2.120 267 R HA -0.148 4.192 4.340 0.001 0.000 0.234 267 R C 2.442 178.957 176.300 0.357 0.000 1.123 267 R CA 1.889 58.150 56.100 0.269 0.000 0.975 267 R CB -0.512 29.828 30.300 0.067 0.000 0.866 267 R HN 0.552 nan 8.270 nan 0.000 0.446 268 T N -1.501 113.189 114.554 0.228 0.000 2.821 268 T HA -0.156 4.194 4.350 0.001 0.000 0.267 268 T C 1.659 176.445 174.700 0.143 0.000 1.046 268 T CA 0.876 62.996 62.100 0.034 0.000 1.139 268 T CB -0.387 68.360 68.868 -0.200 0.000 0.871 268 T HN 0.202 nan 8.240 nan 0.000 0.454 269 F N 2.331 122.363 119.950 0.137 0.000 2.102 269 F HA 0.003 4.531 4.527 0.000 0.000 0.298 269 F C 2.228 178.125 175.800 0.161 0.000 1.105 269 F CA 0.912 59.004 58.000 0.153 0.000 1.239 269 F CB -0.548 38.523 39.000 0.119 0.000 0.991 269 F HN 0.006 nan 8.300 nan 0.000 0.474 270 V N 0.514 120.571 119.914 0.238 0.000 2.490 270 V HA -0.274 3.847 4.120 0.001 0.000 0.250 270 V C 2.670 178.755 176.094 -0.015 0.000 1.061 270 V CA 1.682 64.061 62.300 0.133 0.000 1.064 270 V CB -1.517 30.485 31.823 0.298 0.000 0.670 270 V HN 0.497 nan 8.190 nan 0.000 0.461 271 A N 0.095 122.896 122.820 -0.031 0.000 2.014 271 A HA -0.025 4.295 4.320 0.001 0.000 0.218 271 A C 2.157 179.630 177.584 -0.184 0.000 1.163 271 A CA 1.763 53.691 52.037 -0.183 0.000 0.652 271 A CB -0.227 18.490 19.000 -0.470 0.000 0.808 271 A HN 0.682 nan 8.150 nan 0.000 0.449 272 V N -2.386 117.439 119.914 -0.148 0.000 3.645 272 V HA 0.072 4.192 4.120 0.001 0.000 0.275 272 V C 1.791 177.800 176.094 -0.141 0.000 1.356 272 V CA 0.921 63.165 62.300 -0.093 0.000 1.051 272 V CB -0.436 31.419 31.823 0.053 0.000 0.828 272 V HN 0.606 nan 8.190 nan 0.000 0.441 273 K N 0.812 121.031 120.400 -0.302 0.000 2.211 273 K HA -0.186 4.134 4.320 0.001 0.000 0.204 273 K C 1.353 177.862 176.600 -0.152 0.000 1.047 273 K CA 2.159 58.235 56.287 -0.351 0.000 0.935 273 K CB -0.499 31.595 32.500 -0.677 0.000 0.728 273 K HN 0.440 nan 8.250 nan 0.000 0.452 274 D N 0.918 121.251 120.400 -0.110 0.000 2.249 274 D HA -0.047 4.593 4.640 0.001 0.000 0.205 274 D C 0.969 177.248 176.300 -0.035 0.000 0.962 274 D CA 0.859 54.826 54.000 -0.055 0.000 0.860 274 D CB -0.061 40.712 40.800 -0.044 0.000 0.955 274 D HN 0.487 nan 8.370 nan 0.000 0.505 275 N N -0.407 118.269 118.700 -0.040 0.000 2.254 275 N HA 0.268 5.009 4.740 0.001 0.000 0.190 275 N C 0.323 175.826 175.510 -0.011 0.000 1.107 275 N CA -0.147 52.890 53.050 -0.022 0.000 0.869 275 N CB 1.195 39.667 38.487 -0.026 0.000 0.983 275 N HN -0.007 nan 8.380 nan 0.000 0.487 276 A N 0.393 123.207 122.820 -0.011 0.000 2.564 276 A HA 0.234 4.554 4.320 0.001 0.000 0.291 276 A C -1.865 175.733 177.584 0.025 0.000 1.102 276 A CA -0.706 51.331 52.037 0.000 0.000 0.660 276 A CB 0.821 19.813 19.000 -0.014 0.000 1.283 276 A HN 0.043 nan 8.150 nan 0.000 0.430 277 D N 0.929 121.359 120.400 0.051 0.000 2.367 277 D HA 0.481 5.122 4.640 0.001 0.000 0.255 277 D C 0.233 176.659 176.300 0.211 0.000 1.300 277 D CA 1.007 55.099 54.000 0.153 0.000 0.959 277 D CB 0.271 41.237 40.800 0.278 0.000 1.064 277 D HN 0.832 nan 8.370 nan 0.000 0.509 278 A N 4.734 127.653 122.820 0.166 0.000 2.312 278 A HA 0.807 5.128 4.320 0.001 0.000 0.326 278 A C -0.101 177.713 177.584 0.383 0.000 1.172 278 A CA -0.828 51.334 52.037 0.208 0.000 0.821 278 A CB 1.061 20.040 19.000 -0.035 0.000 1.166 278 A HN 0.505 nan 8.150 nan 0.000 0.493 279 R N 0.371 121.055 120.500 0.307 0.000 2.807 279 R HA 0.687 5.028 4.340 0.001 0.000 0.276 279 R C -1.889 174.437 176.300 0.044 0.000 0.979 279 R CA -0.794 55.405 56.100 0.166 0.000 0.928 279 R CB 1.720 31.955 30.300 -0.108 0.000 1.191 279 R HN 0.624 nan 8.270 nan 0.000 0.471 280 L N 0.944 122.053 121.223 -0.191 0.000 2.436 280 L HA 0.578 4.918 4.340 0.001 0.000 0.268 280 L C -1.503 175.217 176.870 -0.249 0.000 0.974 280 L CA -0.652 53.959 54.840 -0.381 0.000 0.826 280 L CB 2.370 43.846 42.059 -0.971 0.000 1.291 280 L HN 0.338 nan 8.230 nan 0.000 0.406 281 V N 5.242 125.047 119.914 -0.182 0.000 2.525 281 V HA 0.654 4.775 4.120 0.001 0.000 0.299 281 V C -0.972 175.060 176.094 -0.103 0.000 1.034 281 V CA -0.625 61.636 62.300 -0.065 0.000 0.863 281 V CB 2.056 33.890 31.823 0.019 0.000 0.999 281 V HN 0.500 nan 8.190 nan 0.000 0.423 282 V N 3.790 123.597 119.914 -0.178 0.000 2.482 282 V HA 0.811 4.931 4.120 0.001 0.000 0.295 282 V C 0.573 176.237 176.094 -0.717 0.000 1.026 282 V CA -0.230 61.712 62.300 -0.596 0.000 0.856 282 V CB 1.626 32.723 31.823 -1.209 0.000 1.001 282 V HN 0.934 nan 8.190 nan 0.000 0.424 283 G N 4.112 112.217 108.800 -1.159 0.000 2.521 283 G HA2 0.677 4.638 3.960 0.001 0.000 0.323 283 G HA3 0.677 4.638 3.960 0.001 0.000 0.323 283 G C -2.336 171.555 174.900 -1.681 0.000 1.211 283 G CA -1.574 42.318 45.100 -2.013 0.000 0.979 283 G HN 0.516 nan 8.290 nan 0.000 0.490 284 P HA 0.143 nan 4.420 nan 0.000 0.236 284 P C -0.600 176.517 177.300 -0.306 0.000 1.709 284 P CA -0.235 62.440 63.100 -0.709 0.000 0.942 284 P CB 0.034 30.967 31.700 -1.278 0.000 1.615 285 W N 0.952 122.274 121.300 0.036 0.000 2.415 285 W HA 0.398 5.058 4.660 0.000 0.000 0.355 285 W C 0.928 177.559 176.519 0.187 0.000 1.161 285 W CA -0.465 56.945 57.345 0.108 0.000 1.315 285 W CB 0.441 29.932 29.460 0.053 0.000 1.261 285 W HN -0.012 nan 8.180 nan 0.000 0.636 286 S N -1.090 114.853 115.700 0.405 0.000 2.739 286 S HA 0.202 4.673 4.470 0.001 0.000 0.306 286 S C 0.557 175.311 174.600 0.257 0.000 1.115 286 S CA -0.309 58.078 58.200 0.312 0.000 0.985 286 S CB 1.802 65.133 63.200 0.219 0.000 1.133 286 S HN 0.499 nan 8.310 nan 0.000 0.541 287 H N 1.170 120.308 119.070 0.113 0.000 2.387 287 H HA -0.035 4.522 4.556 0.000 0.000 0.299 287 H C 2.083 177.437 175.328 0.042 0.000 1.099 287 H CA 2.490 58.585 56.048 0.078 0.000 1.315 287 H CB -0.075 29.717 29.762 0.050 0.000 1.380 287 H HN 0.702 nan 8.280 nan 0.000 0.513 288 S N -1.543 114.217 115.700 0.100 0.000 2.540 288 S HA 0.054 4.524 4.470 0.001 0.000 0.218 288 S C 0.462 175.074 174.600 0.020 0.000 0.977 288 S CA -0.268 57.959 58.200 0.044 0.000 0.918 288 S CB 0.253 63.499 63.200 0.077 0.000 0.806 288 S HN 0.286 nan 8.310 nan 0.000 0.496 289 N N 0.859 119.588 118.700 0.049 0.000 2.576 289 N HA 0.392 5.133 4.740 0.001 0.000 0.269 289 N C -0.932 174.642 175.510 0.107 0.000 1.058 289 N CA -0.498 52.588 53.050 0.061 0.000 0.860 289 N CB 1.148 39.682 38.487 0.078 0.000 1.249 289 N HN 0.108 nan 8.380 nan 0.000 0.525 290 L N 2.391 123.607 121.223 -0.012 0.000 2.818 290 L HA 0.239 4.579 4.340 0.001 0.000 0.243 290 L C 2.024 178.899 176.870 0.008 0.000 1.185 290 L CA 0.222 54.972 54.840 -0.149 0.000 0.988 290 L CB 0.095 41.824 42.059 -0.552 0.000 1.292 290 L HN 0.656 nan 8.230 nan 0.000 0.519 291 T N -4.486 110.133 114.554 0.108 0.000 3.023 291 T HA 0.152 4.502 4.350 0.001 0.000 0.266 291 T C 1.715 176.535 174.700 0.201 0.000 1.093 291 T CA 0.819 62.990 62.100 0.118 0.000 1.129 291 T CB 0.031 68.940 68.868 0.069 0.000 0.899 291 T HN 0.384 nan 8.240 nan 0.000 0.491 292 G N 1.436 110.417 108.800 0.301 0.000 2.199 292 G HA2 -0.236 3.724 3.960 0.001 0.000 0.254 292 G HA3 -0.236 3.724 3.960 0.001 0.000 0.254 292 G C 0.159 175.198 174.900 0.233 0.000 0.982 292 G CA -0.032 45.269 45.100 0.335 0.000 0.632 292 G HN 0.708 nan 8.290 nan 0.000 0.529 293 R N 0.680 121.253 120.500 0.121 0.000 2.393 293 R HA 0.600 4.940 4.340 0.001 0.000 0.310 293 R C -0.484 175.801 176.300 -0.024 0.000 0.968 293 R CA -0.636 55.471 56.100 0.012 0.000 0.867 293 R CB 0.969 31.274 30.300 0.008 0.000 1.124 293 R HN 0.238 nan 8.270 nan 0.000 0.450 294 N N 0.400 119.032 118.700 -0.112 0.000 2.405 294 N HA 0.205 4.945 4.740 0.001 0.000 0.285 294 N C 0.395 175.820 175.510 -0.140 0.000 1.262 294 N CA -0.330 52.645 53.050 -0.125 0.000 0.773 294 N CB 1.953 40.332 38.487 -0.180 0.000 1.490 294 N HN 0.512 nan 8.380 nan 0.000 0.486 295 A N 0.474 123.220 122.820 -0.122 0.000 1.915 295 A HA -0.196 4.125 4.320 0.001 0.000 0.220 295 A C 0.705 178.205 177.584 -0.140 0.000 1.198 295 A CA 1.859 53.827 52.037 -0.114 0.000 0.647 295 A CB -0.188 18.750 19.000 -0.102 0.000 0.825 295 A HN 0.702 nan 8.150 nan 0.000 0.456 296 D N -2.425 117.865 120.400 -0.182 0.000 2.599 296 D HA 0.293 4.933 4.640 0.001 0.000 0.249 296 D C -0.147 175.971 176.300 -0.303 0.000 1.313 296 D CA -0.001 53.869 54.000 -0.218 0.000 0.815 296 D CB 0.565 41.239 40.800 -0.209 0.000 1.077 296 D HN 0.264 nan 8.370 nan 0.000 0.492 297 R N 1.223 121.527 120.500 -0.327 0.000 2.523 297 R HA 0.180 4.521 4.340 0.001 0.000 0.278 297 R C -1.692 174.292 176.300 -0.527 0.000 1.150 297 R CA -0.397 55.426 56.100 -0.462 0.000 0.987 297 R CB 0.845 30.819 30.300 -0.544 0.000 1.232 297 R HN -0.356 nan 8.270 nan 0.000 0.424 298 K N 4.894 125.033 120.400 -0.435 0.000 2.274 298 K HA 0.342 4.662 4.320 0.001 0.000 0.262 298 K C -0.216 176.210 176.600 -0.290 0.000 0.961 298 K CA -0.449 55.654 56.287 -0.307 0.000 0.833 298 K CB 0.975 33.402 32.500 -0.122 0.000 1.102 298 K HN 0.488 nan 8.250 nan 0.000 0.436 299 F N 0.638 120.612 119.950 0.040 0.000 2.765 299 F HA 0.202 4.730 4.527 0.001 0.000 0.302 299 F C 1.246 177.124 175.800 0.130 0.000 1.111 299 F CA 0.141 58.193 58.000 0.086 0.000 1.359 299 F CB 0.124 39.074 39.000 -0.084 0.000 1.097 299 F HN 0.839 nan 8.300 nan 0.000 0.577 300 G N 0.990 109.921 108.800 0.220 0.000 2.675 300 G HA2 -0.180 3.781 3.960 0.001 0.000 0.686 300 G HA3 -0.180 3.781 3.960 0.001 0.000 0.686 300 G C 0.698 175.706 174.900 0.180 0.000 1.215 300 G CA -0.441 44.774 45.100 0.193 0.000 0.777 300 G HN 0.419 nan 8.290 nan 0.000 0.638 301 I N -1.275 119.385 120.570 0.150 0.000 2.454 301 I HA 0.139 4.309 4.170 0.001 0.000 0.254 301 I C 2.448 178.678 176.117 0.189 0.000 1.156 301 I CA 2.102 63.487 61.300 0.141 0.000 1.433 301 I CB -0.392 37.670 38.000 0.103 0.000 1.082 301 I HN 0.974 nan 8.210 nan 0.000 0.432 302 A N 1.343 124.310 122.820 0.246 0.000 2.067 302 A HA 0.193 4.513 4.320 0.001 0.000 0.219 302 A C 2.461 180.339 177.584 0.489 0.000 1.158 302 A CA 1.347 53.600 52.037 0.360 0.000 0.661 302 A CB -0.669 18.586 19.000 0.425 0.000 0.801 302 A HN 0.606 nan 8.150 nan 0.000 0.452 303 A N -0.803 122.169 122.820 0.253 0.000 2.123 303 A HA 0.200 4.521 4.320 0.001 0.000 0.214 303 A C 1.253 179.032 177.584 0.325 0.000 1.152 303 A CA 0.852 52.849 52.037 -0.066 0.000 0.728 303 A CB -0.725 17.957 19.000 -0.530 0.000 0.814 303 A HN 0.321 nan 8.150 nan 0.000 0.464 304 T N 0.438 115.179 114.554 0.311 0.000 2.934 304 T HA 0.085 4.435 4.350 0.001 0.000 0.306 304 T C -0.031 174.865 174.700 0.327 0.000 1.042 304 T CA 0.089 62.365 62.100 0.293 0.000 1.145 304 T CB -0.126 68.837 68.868 0.160 0.000 0.982 304 T HN 0.292 nan 8.240 nan 0.000 0.544 305 Y N 6.740 127.050 120.300 0.016 0.000 2.863 305 Y HA 0.053 4.604 4.550 0.001 0.000 0.359 305 Y C -1.535 174.318 175.900 -0.079 0.000 1.312 305 Y CA -2.079 55.856 58.100 -0.275 0.000 1.650 305 Y CB 0.228 38.252 38.460 -0.727 0.000 1.201 305 Y HN 0.382 nan 8.280 nan 0.000 0.531 306 P HA 0.019 nan 4.420 nan 0.000 0.237 306 P C 1.038 178.027 177.300 -0.519 0.000 1.788 306 P CA 0.317 63.191 63.100 -0.375 0.000 1.061 306 P CB -0.043 31.457 31.700 -0.333 0.000 1.967 307 I N 1.349 121.707 120.570 -0.354 0.000 2.264 307 I HA -0.324 3.846 4.170 0.001 0.000 0.248 307 I C 2.245 178.265 176.117 -0.161 0.000 1.111 307 I CA 1.701 62.892 61.300 -0.181 0.000 1.382 307 I CB 0.122 38.132 38.000 0.018 0.000 1.060 307 I HN 0.125 nan 8.210 nan 0.000 0.418 308 Q N 1.131 120.843 119.800 -0.148 0.000 2.079 308 Q HA -0.230 4.110 4.340 0.001 0.000 0.200 308 Q C 1.939 177.868 176.000 -0.117 0.000 0.974 308 Q CA 1.889 57.617 55.803 -0.124 0.000 0.840 308 Q CB -0.193 28.484 28.738 -0.102 0.000 0.898 308 Q HN 0.552 nan 8.270 nan 0.000 0.430 309 E N -0.518 119.591 120.200 -0.151 0.000 2.110 309 E HA -0.149 4.202 4.350 0.001 0.000 0.193 309 E C 1.802 178.328 176.600 -0.123 0.000 0.988 309 E CA 0.901 57.212 56.400 -0.148 0.000 0.804 309 E CB -0.171 29.400 29.700 -0.216 0.000 0.745 309 E HN 0.475 nan 8.360 nan 0.000 0.458 310 A N 0.759 123.481 122.820 -0.163 0.000 1.930 310 A HA -0.155 4.165 4.320 0.001 0.000 0.217 310 A C 2.333 179.965 177.584 0.080 0.000 1.175 310 A CA 1.697 53.706 52.037 -0.047 0.000 0.627 310 A CB -0.703 18.216 19.000 -0.135 0.000 0.815 310 A HN 0.164 nan 8.150 nan 0.000 0.443 311 T N -0.214 114.330 114.554 -0.016 0.000 2.708 311 T HA -0.114 4.237 4.350 0.001 0.000 0.266 311 T C 2.008 176.807 174.700 0.165 0.000 1.037 311 T CA 1.937 64.052 62.100 0.026 0.000 1.146 311 T CB -0.546 68.240 68.868 -0.137 0.000 0.865 311 T HN 0.535 nan 8.240 nan 0.000 0.435 312 T N 2.089 116.685 114.554 0.070 0.000 2.746 312 T HA -0.001 4.350 4.350 0.001 0.000 0.267 312 T C 1.948 176.699 174.700 0.085 0.000 1.039 312 T CA 1.047 63.193 62.100 0.077 0.000 1.142 312 T CB -0.301 68.577 68.868 0.016 0.000 0.866 312 T HN 0.286 nan 8.240 nan 0.000 0.444 313 M N -0.026 119.611 119.600 0.062 0.000 2.132 313 M HA -0.134 4.346 4.480 0.001 0.000 0.263 313 M C 2.165 178.462 176.300 -0.004 0.000 1.065 313 M CA 1.729 57.038 55.300 0.016 0.000 1.122 313 M CB -0.168 32.411 32.600 -0.035 0.000 1.365 313 M HN 0.260 nan 8.290 nan 0.000 0.411 314 H N -0.004 119.015 119.070 -0.085 0.000 2.353 314 H HA -0.140 4.416 4.556 0.001 0.000 0.300 314 H C 2.040 177.165 175.328 -0.337 0.000 1.090 314 H CA 1.961 57.845 56.048 -0.274 0.000 1.327 314 H CB -0.153 29.561 29.762 -0.080 0.000 1.383 314 H HN 0.335 nan 8.280 nan 0.000 0.508 315 K N 0.107 120.566 120.400 0.099 0.000 2.057 315 K HA -0.104 4.217 4.320 0.001 0.000 0.207 315 K C 2.297 178.941 176.600 0.074 0.000 1.049 315 K CA 0.998 57.330 56.287 0.076 0.000 0.931 315 K CB -0.088 32.582 32.500 0.282 0.000 0.714 315 K HN 0.277 nan 8.250 nan 0.000 0.440 316 A N 0.620 123.478 122.820 0.063 0.000 1.902 316 A HA -0.169 4.152 4.320 0.001 0.000 0.217 316 A C 1.979 179.577 177.584 0.024 0.000 1.181 316 A CA 1.286 53.352 52.037 0.049 0.000 0.623 316 A CB -0.793 18.230 19.000 0.040 0.000 0.818 316 A HN 0.484 nan 8.150 nan 0.000 0.443 317 F N -0.194 119.634 119.950 -0.202 0.000 2.095 317 F HA -0.158 4.370 4.527 0.001 0.000 0.298 317 F C 1.832 177.552 175.800 -0.134 0.000 1.104 317 F CA 1.639 59.495 58.000 -0.241 0.000 1.232 317 F CB -0.391 38.322 39.000 -0.477 0.000 0.987 317 F HN 0.220 nan 8.300 nan 0.000 0.475 318 F N 0.665 120.609 119.950 -0.010 0.000 2.259 318 F HA -0.104 4.423 4.527 0.000 0.000 0.298 318 F C 2.317 178.134 175.800 0.028 0.000 1.088 318 F CA 1.066 59.016 58.000 -0.084 0.000 1.358 318 F CB -1.250 37.581 39.000 -0.282 0.000 1.040 318 F HN -0.028 nan 8.300 nan 0.000 0.505 319 D N -0.159 120.372 120.400 0.219 0.000 2.144 319 D HA -0.160 4.480 4.640 0.001 0.000 0.199 319 D C 2.365 178.662 176.300 -0.005 0.000 0.984 319 D CA 0.982 55.075 54.000 0.155 0.000 0.834 319 D CB -0.230 40.640 40.800 0.117 0.000 0.955 319 D HN 0.072 nan 8.370 nan 0.000 0.465 320 R N 0.238 120.651 120.500 -0.146 0.000 2.066 320 R HA -0.094 4.246 4.340 0.001 0.000 0.232 320 R C 1.994 178.046 176.300 -0.412 0.000 1.131 320 R CA 1.569 57.465 56.100 -0.340 0.000 0.955 320 R CB -0.485 29.475 30.300 -0.566 0.000 0.851 320 R HN 0.296 nan 8.270 nan 0.000 0.432 321 H N -1.148 117.823 119.070 -0.165 0.000 2.525 321 H HA 0.138 4.695 4.556 0.001 0.000 0.275 321 H C 1.274 176.574 175.328 -0.046 0.000 0.984 321 H CA 0.969 56.925 56.048 -0.152 0.000 1.264 321 H CB 0.474 30.043 29.762 -0.321 0.000 1.432 321 H HN 0.159 nan 8.280 nan 0.000 0.549 322 L N -0.449 120.843 121.223 0.115 0.000 2.515 322 L HA 0.160 4.501 4.340 0.001 0.000 0.223 322 L C 2.014 178.914 176.870 0.049 0.000 1.079 322 L CA 0.728 55.633 54.840 0.107 0.000 0.857 322 L CB 0.326 42.498 42.059 0.188 0.000 1.050 322 L HN -0.058 nan 8.230 nan 0.000 0.476 323 R N -0.834 119.687 120.500 0.035 0.000 2.365 323 R HA 0.333 4.673 4.340 0.001 0.000 0.223 323 R C 1.031 177.318 176.300 -0.022 0.000 0.899 323 R CA 0.599 56.691 56.100 -0.013 0.000 1.059 323 R CB 0.497 30.786 30.300 -0.019 0.000 1.086 323 R HN 0.247 nan 8.270 nan 0.000 0.522 324 G N 2.075 110.858 108.800 -0.029 0.000 2.160 324 G HA2 -0.301 3.660 3.960 0.001 0.000 0.251 324 G HA3 -0.301 3.660 3.960 0.001 0.000 0.251 324 G C -0.309 174.562 174.900 -0.048 0.000 1.008 324 G CA 0.017 45.093 45.100 -0.038 0.000 0.724 324 G HN 0.390 nan 8.290 nan 0.000 0.514 325 E N 1.240 121.406 120.200 -0.056 0.000 1.814 325 E HA 0.277 4.627 4.350 0.001 0.000 0.264 325 E C 1.953 178.510 176.600 -0.071 0.000 1.179 325 E CA 0.286 56.658 56.400 -0.048 0.000 0.972 325 E CB 0.101 29.784 29.700 -0.030 0.000 1.077 325 E HN 0.537 nan 8.360 nan 0.000 0.417 326 T N -0.131 114.388 114.554 -0.058 0.000 2.760 326 T HA -0.231 4.120 4.350 0.001 0.000 0.269 326 T C 0.860 175.529 174.700 -0.050 0.000 1.047 326 T CA 1.315 63.380 62.100 -0.058 0.000 1.139 326 T CB 0.045 68.894 68.868 -0.032 0.000 0.855 326 T HN 0.248 nan 8.240 nan 0.000 0.471 327 D N 0.661 121.040 120.400 -0.036 0.000 2.402 327 D HA 0.483 5.124 4.640 0.001 0.000 0.216 327 D C 1.923 178.211 176.300 -0.021 0.000 1.128 327 D CA 0.489 54.475 54.000 -0.022 0.000 0.833 327 D CB 0.270 41.063 40.800 -0.010 0.000 0.971 327 D HN 0.559 nan 8.370 nan 0.000 0.503 328 A N 0.535 123.333 122.820 -0.038 0.000 1.978 328 A HA -0.097 4.223 4.320 0.001 0.000 0.220 328 A C 1.867 179.444 177.584 -0.013 0.000 1.170 328 A CA 0.826 52.848 52.037 -0.025 0.000 0.636 328 A CB -0.367 18.608 19.000 -0.041 0.000 0.810 328 A HN 0.250 nan 8.150 nan 0.000 0.448 329 L N 0.028 121.238 121.223 -0.021 0.000 2.728 329 L HA 0.263 4.603 4.340 0.001 0.000 0.235 329 L C 0.946 177.827 176.870 0.017 0.000 1.197 329 L CA -0.403 54.444 54.840 0.011 0.000 0.992 329 L CB -0.256 41.822 42.059 0.032 0.000 1.263 329 L HN 0.347 nan 8.230 nan 0.000 0.484 330 A N 0.001 122.827 122.820 0.009 0.000 2.520 330 A HA 0.421 4.741 4.320 0.001 0.000 0.245 330 A C 1.465 179.058 177.584 0.015 0.000 1.072 330 A CA 0.739 52.783 52.037 0.013 0.000 0.761 330 A CB -0.069 18.936 19.000 0.009 0.000 1.004 330 A HN 0.623 nan 8.150 nan 0.000 0.499 331 G N 1.169 109.981 108.800 0.019 0.000 2.205 331 G HA2 -0.202 3.758 3.960 0.001 0.000 0.261 331 G HA3 -0.202 3.758 3.960 0.001 0.000 0.261 331 G C 0.263 175.173 174.900 0.017 0.000 0.980 331 G CA 0.196 45.307 45.100 0.017 0.000 0.632 331 G HN 1.459 nan 8.290 nan 0.000 0.533 332 V N 3.968 123.895 119.914 0.021 0.000 2.432 332 V HA 0.448 4.568 4.120 0.001 0.000 0.271 332 V C -0.624 175.490 176.094 0.033 0.000 1.046 332 V CA -1.032 61.279 62.300 0.019 0.000 0.945 332 V CB 1.146 32.983 31.823 0.023 0.000 0.992 332 V HN 0.352 nan 8.190 nan 0.000 0.471 333 P HA 0.205 nan 4.420 nan 0.000 0.272 333 P C 0.206 177.542 177.300 0.060 0.000 1.230 333 P CA -0.495 62.632 63.100 0.046 0.000 0.788 333 P CB 1.504 33.227 31.700 0.039 0.000 0.949 334 K N 0.817 121.274 120.400 0.095 0.000 2.062 334 K HA 0.050 4.370 4.320 0.001 0.000 0.205 334 K C 0.340 176.996 176.600 0.093 0.000 1.051 334 K CA 1.226 57.600 56.287 0.145 0.000 0.941 334 K CB -0.262 32.361 32.500 0.205 0.000 0.719 334 K HN 0.329 nan 8.250 nan 0.000 0.440 335 V N 0.491 120.438 119.914 0.055 0.000 2.709 335 V HA 0.467 4.587 4.120 0.001 0.000 0.308 335 V C -1.214 174.895 176.094 0.024 0.000 1.062 335 V CA -1.066 61.219 62.300 -0.025 0.000 0.901 335 V CB 1.834 33.661 31.823 0.007 0.000 1.003 335 V HN 0.101 nan 8.190 nan 0.000 0.425 336 R N 4.101 124.608 120.500 0.011 0.000 2.473 336 R HA 0.748 5.088 4.340 0.001 0.000 0.303 336 R C -1.984 174.445 176.300 0.215 0.000 1.002 336 R CA -0.219 55.947 56.100 0.109 0.000 0.884 336 R CB 1.010 31.331 30.300 0.036 0.000 1.173 336 R HN 0.726 nan 8.270 nan 0.000 0.464 337 L N 4.195 125.586 121.223 0.280 0.000 2.354 337 L HA 0.582 4.922 4.340 0.001 0.000 0.269 337 L C -0.681 176.276 176.870 0.145 0.000 1.005 337 L CA -1.145 53.837 54.840 0.237 0.000 0.819 337 L CB 1.811 44.022 42.059 0.253 0.000 1.311 337 L HN 0.530 nan 8.230 nan 0.000 0.423 338 F N 2.879 122.609 119.950 -0.367 0.000 2.390 338 F HA 0.404 4.931 4.527 0.000 0.000 0.361 338 F C -0.130 175.500 175.800 -0.284 0.000 1.124 338 F CA -0.546 56.953 58.000 -0.836 0.000 1.149 338 F CB 0.931 39.018 39.000 -1.522 0.000 1.160 338 F HN 0.045 nan 8.300 nan 0.000 0.501 339 V N 8.306 127.813 119.914 -0.679 0.000 2.389 339 V HA 0.123 4.243 4.120 0.001 0.000 0.264 339 V C 0.629 176.358 176.094 -0.608 0.000 1.049 339 V CA -0.383 61.636 62.300 -0.468 0.000 0.932 339 V CB 0.343 31.971 31.823 -0.326 0.000 1.011 339 V HN 0.774 nan 8.190 nan 0.000 0.475 340 M N 3.428 122.795 119.600 -0.388 0.000 2.198 340 M HA 0.461 4.941 4.480 0.001 0.000 0.315 340 M C 1.554 177.733 176.300 -0.202 0.000 1.134 340 M CA 1.286 56.475 55.300 -0.184 0.000 1.171 340 M CB 0.486 33.048 32.600 -0.063 0.000 1.413 340 M HN 0.868 nan 8.290 nan 0.000 0.467 341 G N 1.132 109.890 108.800 -0.070 0.000 4.890 341 G HA2 -0.303 3.658 3.960 0.001 0.000 0.221 341 G HA3 -0.303 3.658 3.960 0.001 0.000 0.221 341 G C 0.614 175.428 174.900 -0.143 0.000 1.472 341 G CA 0.445 45.434 45.100 -0.184 0.000 0.962 341 G HN 0.847 nan 8.290 nan 0.000 0.671 342 I N -1.340 119.118 120.570 -0.186 0.000 2.928 342 I HA 0.277 4.448 4.170 0.001 0.000 0.266 342 I C 0.347 176.369 176.117 -0.158 0.000 1.234 342 I CA 0.993 62.200 61.300 -0.154 0.000 1.483 342 I CB -0.380 37.520 38.000 -0.166 0.000 1.097 342 I HN 0.165 nan 8.210 nan 0.000 0.455 343 D N 2.951 123.208 120.400 -0.238 0.000 2.803 343 D HA -0.170 4.471 4.640 0.001 0.000 0.233 343 D C -0.333 175.648 176.300 -0.532 0.000 1.182 343 D CA 1.041 54.861 54.000 -0.300 0.000 0.726 343 D CB -0.910 40.029 40.800 0.232 0.000 0.987 343 D HN 0.724 nan 8.370 nan 0.000 0.412 344 E N -0.982 118.675 120.200 -0.905 0.000 2.356 344 E HA 0.423 4.774 4.350 0.001 0.000 0.275 344 E C -0.348 175.869 176.600 -0.638 0.000 0.904 344 E CA -0.883 55.197 56.400 -0.534 0.000 0.757 344 E CB 1.141 30.712 29.700 -0.215 0.000 1.232 344 E HN 0.064 nan 8.360 nan 0.000 0.442 345 W N 1.746 122.933 121.300 -0.187 0.000 2.218 345 W HA 0.356 5.016 4.660 0.001 0.000 0.326 345 W C 0.518 176.998 176.519 -0.065 0.000 1.276 345 W CA 0.020 57.332 57.345 -0.055 0.000 1.210 345 W CB 0.833 30.343 29.460 0.082 0.000 1.143 345 W HN 0.175 nan 8.180 nan 0.000 0.563 346 R N 1.961 122.599 120.500 0.229 0.000 2.584 346 R HA 0.178 4.518 4.340 0.001 0.000 0.276 346 R C -1.431 174.955 176.300 0.143 0.000 1.046 346 R CA -0.751 55.425 56.100 0.127 0.000 0.906 346 R CB 1.287 31.611 30.300 0.039 0.000 1.215 346 R HN 0.348 nan 8.270 nan 0.000 0.449 347 D N 2.339 122.801 120.400 0.104 0.000 2.264 347 D HA 0.273 4.913 4.640 0.001 0.000 0.249 347 D C -0.278 176.074 176.300 0.086 0.000 1.070 347 D CA 0.087 54.141 54.000 0.090 0.000 0.912 347 D CB 1.393 42.232 40.800 0.065 0.000 1.193 347 D HN 0.315 nan 8.370 nan 0.000 0.427 348 E N -0.468 119.788 120.200 0.094 0.000 2.416 348 E HA 0.229 4.579 4.350 0.001 0.000 0.273 348 E C 0.452 177.118 176.600 0.109 0.000 0.935 348 E CA -0.476 55.985 56.400 0.103 0.000 0.784 348 E CB 1.727 31.510 29.700 0.138 0.000 1.301 348 E HN 0.408 nan 8.360 nan 0.000 0.454 349 T N -2.884 111.737 114.554 0.112 0.000 3.065 349 T HA 0.155 4.505 4.350 0.001 0.000 0.252 349 T C 0.221 175.027 174.700 0.177 0.000 1.099 349 T CA 0.358 62.532 62.100 0.124 0.000 1.063 349 T CB 0.274 69.200 68.868 0.096 0.000 0.948 349 T HN 0.284 nan 8.240 nan 0.000 0.506 350 D N -1.203 119.320 120.400 0.204 0.000 2.710 350 D HA 0.325 4.966 4.640 0.001 0.000 0.276 350 D C -2.332 174.177 176.300 0.347 0.000 1.267 350 D CA -0.704 53.478 54.000 0.303 0.000 0.772 350 D CB 1.201 42.134 40.800 0.221 0.000 1.299 350 D HN 0.151 nan 8.370 nan 0.000 0.421 351 W N 3.099 124.578 121.300 0.299 0.000 2.968 351 W HA 0.460 5.121 4.660 0.000 0.000 0.337 351 W C -2.967 173.740 176.519 0.314 0.000 1.060 351 W CA -1.696 55.785 57.345 0.226 0.000 1.240 351 W CB 1.547 31.041 29.460 0.057 0.000 1.370 351 W HN 0.204 nan 8.180 nan 0.000 0.459 352 P HA -0.019 nan 4.420 nan 0.000 0.269 352 P C -0.200 176.939 177.300 -0.269 0.000 1.217 352 P CA -0.027 62.638 63.100 -0.726 0.000 0.783 352 P CB 0.696 32.159 31.700 -0.394 0.000 0.898 353 L N 4.406 125.454 121.223 -0.292 0.000 2.453 353 L HA 0.077 4.417 4.340 0.001 0.000 0.272 353 L C -1.220 175.604 176.870 -0.076 0.000 1.182 353 L CA -0.671 54.112 54.840 -0.095 0.000 0.858 353 L CB -0.525 41.479 42.059 -0.092 0.000 1.120 353 L HN 0.421 nan 8.230 nan 0.000 0.474 354 P HA -0.156 nan 4.420 nan 0.000 0.216 354 P C 0.227 177.515 177.300 -0.021 0.000 1.150 354 P CA 1.297 64.396 63.100 -0.001 0.000 0.843 354 P CB 0.079 31.792 31.700 0.022 0.000 0.787 355 D N -2.226 118.150 120.400 -0.041 0.000 2.460 355 D HA 0.011 4.651 4.640 0.001 0.000 0.229 355 D C -0.373 175.866 176.300 -0.101 0.000 1.170 355 D CA 0.034 54.003 54.000 -0.051 0.000 0.827 355 D CB -1.092 39.687 40.800 -0.036 0.000 0.973 355 D HN 0.009 nan 8.370 nan 0.000 0.496 356 T N 1.026 115.484 114.554 -0.160 0.000 2.799 356 T HA 0.426 4.776 4.350 0.001 0.000 0.296 356 T C 0.258 174.762 174.700 -0.328 0.000 0.947 356 T CA -0.341 61.565 62.100 -0.323 0.000 1.141 356 T CB 1.111 69.649 68.868 -0.550 0.000 0.891 356 T HN 0.301 nan 8.240 nan 0.000 0.533 357 A N 4.251 126.899 122.820 -0.287 0.000 2.341 357 A HA 0.477 4.798 4.320 0.001 0.000 0.326 357 A C -0.568 176.902 177.584 -0.190 0.000 1.402 357 A CA -0.672 51.272 52.037 -0.155 0.000 0.957 357 A CB -0.202 18.757 19.000 -0.068 0.000 1.151 357 A HN 0.836 nan 8.150 nan 0.000 0.533 358 Y N 2.130 122.427 120.300 -0.005 0.000 2.680 358 Y HA 0.197 4.748 4.550 0.000 0.000 0.356 358 Y C 0.796 176.710 175.900 0.023 0.000 1.122 358 Y CA 0.713 58.817 58.100 0.006 0.000 1.509 358 Y CB 0.243 38.702 38.460 -0.002 0.000 1.245 358 Y HN 0.536 nan 8.280 nan 0.000 0.513 359 T N 6.517 121.157 114.554 0.144 0.000 2.758 359 T HA 0.318 4.668 4.350 0.001 0.000 0.285 359 T C -2.624 172.170 174.700 0.156 0.000 0.981 359 T CA -1.928 60.246 62.100 0.124 0.000 0.965 359 T CB 1.273 70.236 68.868 0.158 0.000 0.927 359 T HN 0.187 nan 8.240 nan 0.000 0.448 360 P HA 0.371 nan 4.420 nan 0.000 0.276 360 P C -0.982 176.097 177.300 -0.369 0.000 1.235 360 P CA -0.431 62.517 63.100 -0.254 0.000 0.772 360 P CB 0.271 31.499 31.700 -0.787 0.000 0.871 361 F N 2.931 122.671 119.950 -0.351 0.000 2.403 361 F HA 0.353 4.880 4.527 0.000 0.000 0.355 361 F C 0.022 175.678 175.800 -0.240 0.000 1.119 361 F CA -0.458 57.402 58.000 -0.232 0.000 1.007 361 F CB 0.554 39.483 39.000 -0.118 0.000 1.194 361 F HN 0.256 nan 8.300 nan 0.000 0.443 362 Y N 3.277 123.643 120.300 0.110 0.000 2.309 362 Y HA 0.362 4.912 4.550 0.001 0.000 0.327 362 Y C 0.027 175.961 175.900 0.057 0.000 1.172 362 Y CA -0.682 57.476 58.100 0.096 0.000 1.280 362 Y CB 0.450 38.925 38.460 0.025 0.000 1.234 362 Y HN 0.266 nan 8.280 nan 0.000 0.512 363 L N 2.570 123.873 121.223 0.133 0.000 2.380 363 L HA 0.579 4.919 4.340 0.001 0.000 0.273 363 L C 0.747 177.683 176.870 0.110 0.000 1.138 363 L CA 0.546 55.351 54.840 -0.059 0.000 0.832 363 L CB 0.413 42.204 42.059 -0.446 0.000 1.124 363 L HN 0.891 nan 8.230 nan 0.000 0.454 364 G N 0.107 109.034 108.800 0.212 0.000 2.570 364 G HA2 0.706 4.666 3.960 0.001 0.000 0.310 364 G HA3 0.706 4.666 3.960 0.001 0.000 0.310 364 G C -0.723 174.303 174.900 0.209 0.000 1.266 364 G CA 0.003 45.214 45.100 0.185 0.000 0.825 364 G HN 0.970 nan 8.290 nan 0.000 0.483 365 G N -1.601 107.275 108.800 0.127 0.000 2.484 365 G HA2 0.449 4.409 3.960 0.001 0.000 0.685 365 G HA3 0.449 4.409 3.960 0.001 0.000 0.685 365 G C -0.459 174.479 174.900 0.064 0.000 1.294 365 G CA 0.125 45.281 45.100 0.094 0.000 0.879 365 G HN 1.435 nan 8.290 nan 0.000 0.646 366 S N 0.478 116.203 115.700 0.041 0.000 2.554 366 S HA 0.829 5.299 4.470 0.001 0.000 0.278 366 S C 1.075 175.688 174.600 0.021 0.000 1.242 366 S CA 1.219 59.435 58.200 0.028 0.000 1.051 366 S CB 1.028 64.240 63.200 0.019 0.000 0.986 366 S HN 2.578 nan 8.310 nan 0.000 0.502 367 G N 1.570 110.381 108.800 0.019 0.000 2.698 367 G HA2 0.108 4.068 3.960 0.001 0.000 0.233 367 G HA3 0.108 4.068 3.960 0.001 0.000 0.233 367 G C -0.158 174.750 174.900 0.014 0.000 1.352 367 G CA -0.514 44.593 45.100 0.013 0.000 0.879 367 G HN 1.292 nan 8.290 nan 0.000 0.567 368 A N -0.503 122.320 122.820 0.005 0.000 2.354 368 A HA 0.832 5.152 4.320 0.001 0.000 0.269 368 A C 1.307 178.867 177.584 -0.039 0.000 1.109 368 A CA 0.860 52.898 52.037 0.002 0.000 0.800 368 A CB 1.127 20.134 19.000 0.010 0.000 1.045 368 A HN 2.468 nan 8.150 nan 0.000 0.489 369 A N 2.633 125.409 122.820 -0.073 0.000 2.251 369 A HA 0.173 4.493 4.320 0.001 0.000 0.209 369 A C 0.538 177.986 177.584 -0.226 0.000 1.187 369 A CA -0.193 51.699 52.037 -0.242 0.000 0.823 369 A CB -0.695 17.977 19.000 -0.546 0.000 0.846 369 A HN 0.837 nan 8.150 nan 0.000 0.486 370 N N 1.941 120.583 118.700 -0.096 0.000 2.412 370 N HA 0.348 5.088 4.740 0.001 0.000 0.254 370 N C 0.338 175.794 175.510 -0.090 0.000 1.232 370 N CA 1.459 54.468 53.050 -0.068 0.000 0.880 370 N CB 0.039 38.528 38.487 0.002 0.000 1.076 370 N HN 0.564 nan 8.380 nan 0.000 0.458 371 T N -1.719 112.777 114.554 -0.098 0.000 0.541 371 T HA -0.236 4.114 4.350 0.001 0.000 0.774 371 T C 0.856 175.461 174.700 -0.158 0.000 0.992 371 T CA 0.303 62.348 62.100 -0.092 0.000 4.077 371 T CB -1.255 67.587 68.868 -0.043 0.000 2.303 371 T HN 0.792 nan 8.240 nan 0.000 0.398 372 S N -0.524 115.062 115.700 -0.191 0.000 2.507 372 S HA 0.046 4.516 4.470 0.001 0.000 0.235 372 S C 1.714 176.231 174.600 -0.140 0.000 0.988 372 S CA 1.287 59.318 58.200 -0.282 0.000 0.944 372 S CB -0.762 62.183 63.200 -0.426 0.000 0.762 372 S HN 1.977 nan 8.310 nan 0.000 0.526 373 T N -1.778 112.725 114.554 -0.084 0.000 3.145 373 T HA 0.497 4.847 4.350 0.001 0.000 0.255 373 T C 0.947 175.615 174.700 -0.054 0.000 1.039 373 T CA -0.040 62.030 62.100 -0.049 0.000 0.928 373 T CB 0.110 68.965 68.868 -0.021 0.000 1.029 373 T HN 0.381 nan 8.240 nan 0.000 0.554 374 G N 0.492 109.242 108.800 -0.084 0.000 2.516 374 G HA2 0.473 4.433 3.960 0.001 0.000 0.276 374 G HA3 0.473 4.433 3.960 0.001 0.000 0.276 374 G C 0.828 175.683 174.900 -0.074 0.000 1.390 374 G CA -0.375 44.675 45.100 -0.082 0.000 1.050 374 G HN 0.362 nan 8.290 nan 0.000 0.519 375 G N -1.129 107.631 108.800 -0.065 0.000 3.337 375 G HA2 0.441 4.401 3.960 0.001 0.000 0.246 375 G HA3 0.441 4.401 3.960 0.001 0.000 0.246 375 G C 0.774 175.657 174.900 -0.029 0.000 1.131 375 G CA 0.456 45.536 45.100 -0.034 0.000 0.773 375 G HN 0.856 nan 8.290 nan 0.000 0.544 376 G N 0.916 109.648 108.800 -0.113 0.000 2.340 376 G HA2 0.415 4.376 3.960 0.001 0.000 0.245 376 G HA3 0.415 4.376 3.960 0.001 0.000 0.245 376 G C 0.342 175.287 174.900 0.076 0.000 1.294 376 G CA 0.804 45.840 45.100 -0.106 0.000 0.896 376 G HN 0.485 nan 8.290 nan 0.000 0.522 377 T N -0.447 114.253 114.554 0.242 0.000 2.916 377 T HA 0.736 5.086 4.350 0.001 0.000 0.292 377 T C -0.439 174.416 174.700 0.257 0.000 1.064 377 T CA -0.999 61.222 62.100 0.202 0.000 1.011 377 T CB 1.844 70.793 68.868 0.134 0.000 1.152 377 T HN 0.339 nan 8.240 nan 0.000 0.510 378 L N 1.346 122.690 121.223 0.201 0.000 2.386 378 L HA 0.795 5.135 4.340 0.001 0.000 0.271 378 L C -0.366 176.620 176.870 0.194 0.000 0.993 378 L CA -0.765 54.205 54.840 0.217 0.000 0.819 378 L CB 2.169 44.365 42.059 0.229 0.000 1.294 378 L HN 0.944 nan 8.230 nan 0.000 0.414 379 S N -0.657 115.139 115.700 0.159 0.000 2.537 379 S HA 0.281 4.751 4.470 0.001 0.000 0.271 379 S C 0.488 175.021 174.600 -0.111 0.000 1.148 379 S CA -0.026 58.192 58.200 0.031 0.000 0.868 379 S CB 1.722 64.953 63.200 0.052 0.000 1.115 379 S HN 0.748 nan 8.310 nan 0.000 0.461 380 T N 0.555 114.907 114.554 -0.337 0.000 3.113 380 T HA 0.195 4.545 4.350 0.001 0.000 0.263 380 T C 0.615 175.311 174.700 -0.007 0.000 1.143 380 T CA 0.282 62.142 62.100 -0.399 0.000 1.090 380 T CB -0.230 68.337 68.868 -0.501 0.000 0.922 380 T HN 0.336 nan 8.240 nan 0.000 0.521 381 S N 0.966 116.680 115.700 0.024 0.000 2.489 381 S HA 0.558 5.028 4.470 0.001 0.000 0.291 381 S C 0.248 174.786 174.600 -0.103 0.000 1.151 381 S CA -0.839 57.346 58.200 -0.025 0.000 1.082 381 S CB 0.864 64.031 63.200 -0.055 0.000 1.019 381 S HN 0.360 nan 8.310 nan 0.000 0.492 382 I N 2.453 122.761 120.570 -0.437 0.000 2.752 382 I HA -0.002 4.168 4.170 0.001 0.000 0.287 382 I C 0.766 176.702 176.117 -0.301 0.000 1.188 382 I CA 0.068 60.925 61.300 -0.739 0.000 1.427 382 I CB 0.478 38.044 38.000 -0.724 0.000 1.365 382 I HN 0.506 nan 8.210 nan 0.000 0.585 383 S N 4.276 119.854 115.700 -0.203 0.000 2.562 383 S HA 0.073 4.544 4.470 0.001 0.000 0.281 383 S C 1.202 175.747 174.600 -0.092 0.000 1.333 383 S CA -0.158 57.995 58.200 -0.078 0.000 1.052 383 S CB 1.310 64.506 63.200 -0.008 0.000 0.884 383 S HN 0.903 nan 8.310 nan 0.000 0.506 384 G N 1.475 110.240 108.800 -0.059 0.000 2.603 384 G HA2 0.097 4.057 3.960 0.001 0.000 0.214 384 G HA3 0.097 4.057 3.960 0.001 0.000 0.214 384 G C 0.472 175.350 174.900 -0.038 0.000 1.140 384 G CA 0.369 45.435 45.100 -0.056 0.000 0.800 384 G HN 0.728 nan 8.290 nan 0.000 0.533 385 T N -1.127 113.416 114.554 -0.019 0.000 2.823 385 T HA 0.534 4.884 4.350 0.001 0.000 0.279 385 T C -0.699 174.005 174.700 0.006 0.000 0.998 385 T CA -0.782 61.315 62.100 -0.006 0.000 0.994 385 T CB 2.654 71.524 68.868 0.003 0.000 0.960 385 T HN -0.102 nan 8.240 nan 0.000 0.448 386 E N 2.371 122.578 120.200 0.011 0.000 2.265 386 E HA 0.409 4.759 4.350 0.001 0.000 0.272 386 E C -0.316 176.303 176.600 0.032 0.000 1.067 386 E CA 0.098 56.517 56.400 0.033 0.000 0.900 386 E CB 1.100 30.828 29.700 0.047 0.000 1.017 386 E HN 0.724 nan 8.360 nan 0.000 0.431 387 S N 0.688 116.409 115.700 0.035 0.000 2.732 387 S HA 0.882 5.353 4.470 0.001 0.000 0.293 387 S C -1.088 173.509 174.600 -0.005 0.000 1.159 387 S CA -0.746 57.467 58.200 0.023 0.000 0.847 387 S CB 2.112 65.335 63.200 0.039 0.000 1.169 387 S HN 0.550 nan 8.310 nan 0.000 0.501 388 A N 1.018 123.817 122.820 -0.034 0.000 2.566 388 A HA 0.668 4.989 4.320 0.001 0.000 0.297 388 A C -2.195 175.361 177.584 -0.047 0.000 1.059 388 A CA -0.761 51.201 52.037 -0.125 0.000 0.691 388 A CB 1.158 19.972 19.000 -0.311 0.000 1.282 388 A HN 0.641 nan 8.150 nan 0.000 0.401 389 D N 1.712 122.112 120.400 -0.000 0.000 2.278 389 D HA 0.611 5.251 4.640 0.001 0.000 0.245 389 D C -0.576 175.772 176.300 0.080 0.000 1.052 389 D CA 0.255 54.305 54.000 0.084 0.000 0.834 389 D CB 2.068 42.982 40.800 0.190 0.000 1.194 389 D HN 0.424 nan 8.370 nan 0.000 0.481 390 T N 1.595 116.200 114.554 0.084 0.000 2.887 390 T HA 0.618 4.968 4.350 0.001 0.000 0.288 390 T C -0.732 174.062 174.700 0.155 0.000 1.021 390 T CA -0.701 61.419 62.100 0.032 0.000 1.000 390 T CB 1.153 70.012 68.868 -0.015 0.000 1.034 390 T HN 0.384 nan 8.240 nan 0.000 0.467 391 Y N 0.189 120.539 120.300 0.085 0.000 2.656 391 Y HA 0.789 5.339 4.550 0.000 0.000 0.334 391 Y C -1.942 174.014 175.900 0.094 0.000 1.179 391 Y CA -1.807 56.343 58.100 0.083 0.000 1.050 391 Y CB 0.810 39.326 38.460 0.094 0.000 1.308 391 Y HN 0.539 nan 8.280 nan 0.000 0.456 392 L N 3.284 124.676 121.223 0.282 0.000 2.272 392 L HA 0.482 4.823 4.340 0.001 0.000 0.289 392 L C -1.404 175.655 176.870 0.315 0.000 1.032 392 L CA -0.731 54.219 54.840 0.184 0.000 0.810 392 L CB 0.733 42.853 42.059 0.100 0.000 1.205 392 L HN 0.696 nan 8.230 nan 0.000 0.422 393 Y N 4.876 125.263 120.300 0.144 0.000 2.342 393 Y HA 0.496 5.047 4.550 0.001 0.000 0.338 393 Y C -1.066 174.860 175.900 0.044 0.000 0.965 393 Y CA -1.238 56.941 58.100 0.132 0.000 1.159 393 Y CB 0.827 39.363 38.460 0.127 0.000 1.157 393 Y HN 0.693 nan 8.280 nan 0.000 0.486 394 D N 8.530 128.726 120.400 -0.339 0.000 2.381 394 D HA 0.361 5.001 4.640 0.001 0.000 0.235 394 D C -2.223 173.774 176.300 -0.505 0.000 1.068 394 D CA -2.634 51.110 54.000 -0.428 0.000 0.832 394 D CB 2.414 43.121 40.800 -0.155 0.000 1.101 394 D HN 0.317 nan 8.370 nan 0.000 0.515 395 P HA -0.122 nan 4.420 nan 0.000 0.218 395 P C 0.878 178.067 177.300 -0.184 0.000 1.146 395 P CA 1.202 64.103 63.100 -0.332 0.000 0.813 395 P CB 0.286 31.828 31.700 -0.263 0.000 0.778 396 A N -1.065 121.655 122.820 -0.167 0.000 2.121 396 A HA -0.109 4.211 4.320 0.001 0.000 0.218 396 A C 1.158 178.695 177.584 -0.078 0.000 1.154 396 A CA 1.327 53.295 52.037 -0.114 0.000 0.679 396 A CB -0.671 18.277 19.000 -0.087 0.000 0.795 396 A HN 0.115 nan 8.150 nan 0.000 0.458 397 D N -0.674 119.696 120.400 -0.050 0.000 2.552 397 D HA 0.271 4.911 4.640 0.001 0.000 0.285 397 D C -2.828 173.519 176.300 0.078 0.000 1.206 397 D CA -1.893 52.113 54.000 0.010 0.000 0.826 397 D CB 1.142 41.953 40.800 0.018 0.000 1.179 397 D HN 0.153 nan 8.370 nan 0.000 0.508 398 P HA 0.170 nan 4.420 nan 0.000 0.276 398 P C -0.148 177.245 177.300 0.155 0.000 1.252 398 P CA -0.565 62.642 63.100 0.179 0.000 0.802 398 P CB 1.292 33.064 31.700 0.121 0.000 1.035 399 V N 2.919 122.916 119.914 0.140 0.000 2.508 399 V HA 0.112 4.233 4.120 0.001 0.000 0.281 399 V C -1.912 174.273 176.094 0.150 0.000 1.041 399 V CA -1.208 61.159 62.300 0.112 0.000 1.016 399 V CB 0.026 31.890 31.823 0.068 0.000 0.984 399 V HN 0.570 nan 8.190 nan 0.000 0.478 400 P HA 0.150 nan 4.420 nan 0.000 0.271 400 P C -0.334 177.039 177.300 0.121 0.000 1.216 400 P CA 0.032 63.224 63.100 0.153 0.000 0.776 400 P CB 0.455 32.233 31.700 0.131 0.000 0.881 401 S N 2.467 118.233 115.700 0.110 0.000 2.549 401 S HA 0.306 4.777 4.470 0.001 0.000 0.279 401 S C 0.003 174.657 174.600 0.090 0.000 1.321 401 S CA -0.146 58.104 58.200 0.084 0.000 1.054 401 S CB -0.288 62.938 63.200 0.044 0.000 0.899 401 S HN 0.287 nan 8.310 nan 0.000 0.497 402 L N 3.142 124.400 121.223 0.060 0.000 2.471 402 L HA 0.532 4.872 4.340 0.001 0.000 0.263 402 L C 0.763 177.644 176.870 0.019 0.000 0.985 402 L CA -0.394 54.463 54.840 0.028 0.000 0.868 402 L CB 0.836 42.904 42.059 0.015 0.000 1.203 402 L HN 0.992 nan 8.230 nan 0.000 0.429 403 G N 2.324 111.122 108.800 -0.003 0.000 2.528 403 G HA2 0.113 4.074 3.960 0.001 0.000 0.262 403 G HA3 0.113 4.074 3.960 0.001 0.000 0.262 403 G C 0.435 175.374 174.900 0.066 0.000 1.200 403 G CA -0.153 44.943 45.100 -0.006 0.000 0.951 403 G HN 1.462 nan 8.290 nan 0.000 0.566 404 G N -2.557 106.343 108.800 0.166 0.000 2.528 404 G HA2 0.210 4.170 3.960 0.001 0.000 0.262 404 G HA3 0.210 4.170 3.960 0.001 0.000 0.262 404 G C 1.130 176.188 174.900 0.263 0.000 1.200 404 G CA 2.175 47.431 45.100 0.260 0.000 0.951 404 G HN 2.697 nan 8.290 nan 0.000 0.566 405 T N -0.566 114.063 114.554 0.126 0.000 3.264 405 T HA 0.616 4.966 4.350 0.001 0.000 0.257 405 T C 0.998 175.673 174.700 -0.042 0.000 0.976 405 T CA 0.139 62.279 62.100 0.067 0.000 0.908 405 T CB -0.286 68.592 68.868 0.016 0.000 1.082 405 T HN 0.646 nan 8.240 nan 0.000 0.567 406 L N 1.259 122.461 121.223 -0.035 0.000 2.514 406 L HA 0.185 4.525 4.340 0.001 0.000 0.280 406 L C 1.388 178.189 176.870 -0.115 0.000 1.223 406 L CA -0.134 54.659 54.840 -0.079 0.000 0.864 406 L CB 0.558 42.603 42.059 -0.024 0.000 1.118 406 L HN 0.296 nan 8.230 nan 0.000 0.494 407 L N 1.810 122.897 121.223 -0.227 0.000 2.347 407 L HA 0.051 4.391 4.340 0.001 0.000 0.196 407 L C 1.332 177.867 176.870 -0.558 0.000 1.072 407 L CA 0.745 55.293 54.840 -0.487 0.000 0.817 407 L CB -0.012 41.538 42.059 -0.849 0.000 1.029 407 L HN 0.531 nan 8.230 nan 0.000 0.478 408 F N -2.161 117.857 119.950 0.114 0.000 2.637 408 F HA 0.143 4.670 4.527 0.001 0.000 0.284 408 F C 1.107 176.969 175.800 0.103 0.000 1.105 408 F CA -0.562 57.514 58.000 0.126 0.000 1.356 408 F CB -0.328 38.770 39.000 0.163 0.000 1.096 408 F HN -0.032 nan 8.300 nan 0.000 0.616 409 H N 2.166 121.322 119.070 0.144 0.000 2.934 409 H HA 0.212 4.768 4.556 0.000 0.000 0.273 409 H C 0.154 175.493 175.328 0.020 0.000 1.121 409 H CA -0.602 55.480 56.048 0.057 0.000 1.451 409 H CB -0.487 29.264 29.762 -0.019 0.000 1.469 409 H HN 0.028 nan 8.280 nan 0.000 0.476 410 N N 3.389 121.882 118.700 -0.345 0.000 2.689 410 N HA -0.162 4.578 4.740 0.001 0.000 0.263 410 N C 0.666 176.093 175.510 -0.138 0.000 0.987 410 N CA 1.135 54.016 53.050 -0.283 0.000 0.782 410 N CB -0.982 37.239 38.487 -0.445 0.000 0.903 410 N HN 0.906 nan 8.380 nan 0.000 0.547 411 G N -0.055 108.711 108.800 -0.056 0.000 3.383 411 G HA2 0.013 3.973 3.960 0.001 0.000 0.251 411 G HA3 0.013 3.973 3.960 0.001 0.000 0.251 411 G C 0.568 175.469 174.900 0.003 0.000 1.203 411 G CA 0.074 45.159 45.100 -0.025 0.000 0.852 411 G HN 0.424 nan 8.290 nan 0.000 0.531 412 D N -1.025 119.366 120.400 -0.015 0.000 2.501 412 D HA 0.091 4.731 4.640 0.001 0.000 0.226 412 D C 0.362 176.644 176.300 -0.030 0.000 1.198 412 D CA -0.729 53.270 54.000 -0.001 0.000 0.830 412 D CB 0.136 40.935 40.800 -0.002 0.000 1.014 412 D HN 0.095 nan 8.370 nan 0.000 0.496 413 N N -0.062 118.603 118.700 -0.059 0.000 2.636 413 N HA 0.220 4.960 4.740 0.001 0.000 0.287 413 N C 1.378 176.784 175.510 -0.174 0.000 1.817 413 N CA 0.090 53.075 53.050 -0.110 0.000 0.842 413 N CB 0.601 39.026 38.487 -0.104 0.000 1.353 413 N HN 0.037 nan 8.380 nan 0.000 0.500 414 G N 1.374 110.032 108.800 -0.236 0.000 2.599 414 G HA2 -0.194 3.766 3.960 0.001 0.000 0.219 414 G HA3 -0.194 3.766 3.960 0.001 0.000 0.219 414 G C -1.282 173.161 174.900 -0.763 0.000 1.193 414 G CA 0.674 45.487 45.100 -0.479 0.000 0.778 414 G HN 0.443 nan 8.290 nan 0.000 0.589 415 P HA 0.400 nan 4.420 nan 0.000 0.220 415 P C -0.197 176.968 177.300 -0.224 0.000 1.806 415 P CA -0.086 62.752 63.100 -0.436 0.000 0.976 415 P CB -0.002 31.540 31.700 -0.263 0.000 1.952 416 A N 1.565 124.290 122.820 -0.160 0.000 2.425 416 A HA 0.185 4.505 4.320 0.001 0.000 0.249 416 A C 0.337 177.865 177.584 -0.094 0.000 1.084 416 A CA -0.253 51.713 52.037 -0.118 0.000 0.781 416 A CB -0.031 18.920 19.000 -0.082 0.000 1.019 416 A HN 0.220 nan 8.150 nan 0.000 0.490 417 D N 1.134 121.461 120.400 -0.122 0.000 2.383 417 D HA 0.105 4.745 4.640 0.001 0.000 0.252 417 D C 0.743 176.965 176.300 -0.130 0.000 1.166 417 D CA 0.133 54.056 54.000 -0.129 0.000 0.879 417 D CB 0.803 41.515 40.800 -0.147 0.000 1.164 417 D HN 0.417 nan 8.370 nan 0.000 0.462 418 Q N 3.331 123.032 119.800 -0.164 0.000 2.392 418 Q HA 0.062 4.403 4.340 0.001 0.000 0.203 418 Q C 1.615 177.302 176.000 -0.523 0.000 0.917 418 Q CA 0.116 55.773 55.803 -0.244 0.000 0.939 418 Q CB 0.159 28.814 28.738 -0.138 0.000 1.063 418 Q HN 0.552 nan 8.270 nan 0.000 0.516 419 R N 0.724 120.923 120.500 -0.503 0.000 2.139 419 R HA -0.157 4.183 4.340 0.001 0.000 0.243 419 R C -0.662 175.511 176.300 -0.211 0.000 1.145 419 R CA 1.305 57.140 56.100 -0.442 0.000 0.976 419 R CB -1.116 29.071 30.300 -0.188 0.000 0.866 419 R HN 0.223 nan 8.270 nan 0.000 0.449 420 P HA -0.125 nan 4.420 nan 0.000 0.225 420 P C 0.957 178.244 177.300 -0.023 0.000 1.148 420 P CA 1.212 64.277 63.100 -0.059 0.000 0.779 420 P CB 0.016 31.688 31.700 -0.046 0.000 0.780 421 I N -7.433 113.118 120.570 -0.032 0.000 4.240 421 I HA 0.213 4.384 4.170 0.001 0.000 0.331 421 I C 1.233 177.421 176.117 0.118 0.000 1.381 421 I CA -0.146 61.178 61.300 0.039 0.000 1.136 421 I CB -0.688 37.340 38.000 0.046 0.000 1.137 421 I HN -0.143 nan 8.210 nan 0.000 0.411 422 H N 1.946 121.021 119.070 0.010 0.000 2.566 422 H HA -0.124 4.432 4.556 0.000 0.000 0.285 422 H C 0.722 176.047 175.328 -0.005 0.000 1.041 422 H CA 1.190 57.240 56.048 0.003 0.000 1.207 422 H CB 0.216 29.982 29.762 0.006 0.000 1.353 422 H HN 0.673 nan 8.280 nan 0.000 0.604 423 D N -0.945 119.552 120.400 0.162 0.000 2.538 423 D HA 0.033 4.673 4.640 0.001 0.000 0.241 423 D C -0.034 176.294 176.300 0.046 0.000 1.297 423 D CA -0.354 53.696 54.000 0.083 0.000 0.804 423 D CB 0.430 41.278 40.800 0.081 0.000 1.122 423 D HN 0.001 nan 8.370 nan 0.000 0.519 424 R N 0.403 120.930 120.500 0.045 0.000 2.490 424 R HA 0.229 4.569 4.340 0.001 0.000 0.278 424 R C 0.351 176.656 176.300 0.007 0.000 1.069 424 R CA -0.146 55.971 56.100 0.029 0.000 1.080 424 R CB 0.940 31.258 30.300 0.031 0.000 1.030 424 R HN 0.036 nan 8.270 nan 0.000 0.491 425 D N 0.848 121.259 120.400 0.019 0.000 2.264 425 D HA -0.144 4.496 4.640 0.001 0.000 0.208 425 D C 0.732 177.031 176.300 -0.001 0.000 0.966 425 D CA 1.082 55.096 54.000 0.024 0.000 0.864 425 D CB 0.250 41.084 40.800 0.057 0.000 0.933 425 D HN 0.569 nan 8.370 nan 0.000 0.499 426 D N -0.437 119.937 120.400 -0.044 0.000 2.325 426 D HA -0.029 4.611 4.640 0.001 0.000 0.225 426 D C -0.231 175.801 176.300 -0.447 0.000 1.096 426 D CA -0.054 53.789 54.000 -0.262 0.000 0.844 426 D CB 0.010 40.773 40.800 -0.062 0.000 0.925 426 D HN 0.010 nan 8.370 nan 0.000 0.513 427 V N 1.809 121.590 119.914 -0.221 0.000 2.293 427 V HA 0.230 4.351 4.120 0.001 0.000 0.275 427 V C 0.186 176.193 176.094 -0.144 0.000 1.021 427 V CA -0.781 61.423 62.300 -0.159 0.000 0.815 427 V CB 1.313 33.116 31.823 -0.034 0.000 1.025 427 V HN 0.130 nan 8.190 nan 0.000 0.448 428 L N 4.383 125.521 121.223 -0.142 0.000 2.331 428 L HA 0.433 4.774 4.340 0.001 0.000 0.278 428 L C -0.247 176.515 176.870 -0.181 0.000 1.106 428 L CA -0.047 54.712 54.840 -0.133 0.000 0.824 428 L CB 0.875 42.976 42.059 0.071 0.000 1.142 428 L HN 0.555 nan 8.230 nan 0.000 0.443 429 C N 3.076 122.132 119.300 -0.406 0.000 2.379 429 C HA 0.624 5.084 4.460 0.001 0.000 0.323 429 C C -0.617 174.045 174.990 -0.547 0.000 1.262 429 C CA -0.843 57.980 59.018 -0.325 0.000 1.581 429 C CB 0.608 28.179 27.740 -0.282 0.000 2.221 429 C HN 0.526 nan 8.230 nan 0.000 0.497 430 Y N 1.141 121.445 120.300 0.007 0.000 2.346 430 Y HA 0.578 5.129 4.550 0.001 0.000 0.332 430 Y C 0.330 176.245 175.900 0.025 0.000 0.985 430 Y CA -0.316 57.801 58.100 0.029 0.000 1.112 430 Y CB 1.658 40.152 38.460 0.056 0.000 1.170 430 Y HN 0.627 nan 8.280 nan 0.000 0.447 431 S N 0.778 116.562 115.700 0.140 0.000 2.570 431 S HA 0.592 5.063 4.470 0.001 0.000 0.286 431 S C -0.250 174.407 174.600 0.095 0.000 1.099 431 S CA -1.047 57.209 58.200 0.094 0.000 0.913 431 S CB 1.718 64.949 63.200 0.052 0.000 1.085 431 S HN 0.684 nan 8.310 nan 0.000 0.480 432 T N -0.219 114.379 114.554 0.073 0.000 2.788 432 T HA 0.456 4.806 4.350 0.001 0.000 0.280 432 T C 0.106 174.843 174.700 0.061 0.000 0.984 432 T CA -0.717 61.431 62.100 0.081 0.000 0.972 432 T CB 0.182 69.091 68.868 0.069 0.000 1.039 432 T HN 0.571 nan 8.240 nan 0.000 0.530 433 E N -0.148 120.086 120.200 0.057 0.000 2.397 433 E HA 0.337 4.687 4.350 0.001 0.000 0.254 433 E C -0.241 176.386 176.600 0.046 0.000 1.231 433 E CA -0.816 55.611 56.400 0.046 0.000 0.954 433 E CB 0.525 30.248 29.700 0.039 0.000 1.024 433 E HN 0.396 nan 8.360 nan 0.000 0.481 434 V N 2.373 122.312 119.914 0.042 0.000 2.599 434 V HA -0.051 4.069 4.120 0.001 0.000 0.300 434 V C 0.410 176.533 176.094 0.049 0.000 1.034 434 V CA 0.287 62.616 62.300 0.048 0.000 1.115 434 V CB -0.269 31.577 31.823 0.039 0.000 0.934 434 V HN 0.393 nan 8.190 nan 0.000 0.485 435 L N 5.040 126.300 121.223 0.062 0.000 2.426 435 L HA 0.234 4.574 4.340 0.001 0.000 0.271 435 L C 1.452 178.351 176.870 0.048 0.000 1.169 435 L CA 0.110 54.983 54.840 0.055 0.000 0.836 435 L CB 0.927 43.025 42.059 0.064 0.000 1.112 435 L HN 0.900 nan 8.230 nan 0.000 0.465 436 T N -3.676 110.899 114.554 0.035 0.000 3.001 436 T HA 0.199 4.550 4.350 0.001 0.000 0.251 436 T C 0.251 174.965 174.700 0.022 0.000 1.040 436 T CA -0.238 61.878 62.100 0.028 0.000 0.985 436 T CB 0.287 69.167 68.868 0.021 0.000 1.011 436 T HN 0.440 nan 8.240 nan 0.000 0.509 437 D N 2.328 122.741 120.400 0.022 0.000 2.671 437 D HA 0.411 5.051 4.640 0.001 0.000 0.232 437 D C -2.836 173.473 176.300 0.015 0.000 1.114 437 D CA -1.677 52.332 54.000 0.015 0.000 0.858 437 D CB 2.475 43.283 40.800 0.013 0.000 1.544 437 D HN 0.064 nan 8.370 nan 0.000 0.471 438 P HA 0.123 nan 4.420 nan 0.000 0.271 438 P C -0.614 176.695 177.300 0.016 0.000 1.218 438 P CA -0.298 62.800 63.100 -0.003 0.000 0.780 438 P CB 0.992 32.673 31.700 -0.031 0.000 0.901 439 V N 2.693 122.635 119.914 0.047 0.000 2.443 439 V HA 0.255 4.375 4.120 0.001 0.000 0.293 439 V C 0.242 176.393 176.094 0.095 0.000 1.021 439 V CA -0.551 61.782 62.300 0.055 0.000 0.848 439 V CB 1.410 33.247 31.823 0.024 0.000 0.998 439 V HN 0.589 nan 8.190 nan 0.000 0.424 440 E N 3.772 123.990 120.200 0.031 0.000 2.174 440 E HA 0.579 4.930 4.350 0.001 0.000 0.282 440 E C -1.438 175.160 176.600 -0.003 0.000 0.992 440 E CA -0.440 55.962 56.400 0.003 0.000 0.803 440 E CB 1.807 31.478 29.700 -0.047 0.000 1.090 440 E HN 0.482 nan 8.360 nan 0.000 0.396 441 V N 4.669 124.590 119.914 0.012 0.000 2.325 441 V HA 0.305 4.425 4.120 0.001 0.000 0.280 441 V C -0.612 175.418 176.094 -0.106 0.000 1.016 441 V CA -0.514 61.770 62.300 -0.026 0.000 0.818 441 V CB 1.549 33.423 31.823 0.085 0.000 1.019 441 V HN 0.703 nan 8.190 nan 0.000 0.434 442 T N 3.641 118.121 114.554 -0.122 0.000 2.965 442 T HA 0.811 5.161 4.350 0.001 0.000 0.306 442 T C 0.217 174.840 174.700 -0.129 0.000 0.991 442 T CA 0.068 62.106 62.100 -0.104 0.000 1.001 442 T CB 1.493 70.334 68.868 -0.046 0.000 0.984 442 T HN 1.193 nan 8.240 nan 0.000 0.446 443 G N 2.103 110.882 108.800 -0.034 0.000 2.350 443 G HA2 0.353 4.313 3.960 0.001 0.000 0.282 443 G HA3 0.353 4.313 3.960 0.001 0.000 0.282 443 G C -0.434 174.537 174.900 0.119 0.000 1.314 443 G CA -0.339 44.610 45.100 -0.250 0.000 0.915 443 G HN 0.855 nan 8.290 nan 0.000 0.499 444 T N -1.717 112.912 114.554 0.126 0.000 2.918 444 T HA 0.603 4.953 4.350 0.001 0.000 0.302 444 T C 0.028 174.829 174.700 0.169 0.000 1.045 444 T CA -0.290 61.950 62.100 0.234 0.000 1.114 444 T CB 1.647 70.647 68.868 0.220 0.000 0.965 444 T HN 1.277 nan 8.240 nan 0.000 0.540 445 V N 2.406 122.398 119.914 0.131 0.000 2.735 445 V HA 0.821 4.942 4.120 0.001 0.000 0.310 445 V C -0.011 176.122 176.094 0.065 0.000 1.061 445 V CA -0.710 61.642 62.300 0.086 0.000 0.913 445 V CB 1.856 33.710 31.823 0.052 0.000 1.005 445 V HN 1.368 nan 8.190 nan 0.000 0.428 446 S N 2.461 118.187 115.700 0.044 0.000 2.596 446 S HA 0.964 5.434 4.470 0.001 0.000 0.270 446 S C -0.867 173.716 174.600 -0.028 0.000 1.155 446 S CA -0.243 57.962 58.200 0.008 0.000 0.827 446 S CB 2.147 65.345 63.200 -0.003 0.000 1.130 446 S HN 1.641 nan 8.310 nan 0.000 0.467 447 A N 1.111 123.889 122.820 -0.069 0.000 2.401 447 A HA 0.895 5.215 4.320 0.001 0.000 0.310 447 A C -0.778 176.673 177.584 -0.221 0.000 1.075 447 A CA -0.985 50.965 52.037 -0.145 0.000 0.746 447 A CB 1.366 20.309 19.000 -0.095 0.000 1.277 447 A HN 0.752 nan 8.150 nan 0.000 0.425 448 R N 1.789 122.049 120.500 -0.401 0.000 2.422 448 R HA 0.500 4.840 4.340 0.001 0.000 0.307 448 R C -1.583 174.520 176.300 -0.328 0.000 1.004 448 R CA -0.282 55.587 56.100 -0.385 0.000 0.882 448 R CB 1.193 31.242 30.300 -0.418 0.000 1.164 448 R HN 0.647 nan 8.270 nan 0.000 0.489 449 L N 3.010 124.078 121.223 -0.259 0.000 2.334 449 L HA 0.575 4.916 4.340 0.001 0.000 0.276 449 L C -0.587 176.141 176.870 -0.236 0.000 1.014 449 L CA -0.962 53.785 54.840 -0.155 0.000 0.815 449 L CB 1.350 43.318 42.059 -0.153 0.000 1.268 449 L HN 0.344 nan 8.230 nan 0.000 0.428 450 F N 2.620 122.556 119.950 -0.022 0.000 2.361 450 F HA 0.501 5.028 4.527 0.001 0.000 0.364 450 F C 0.308 176.107 175.800 -0.002 0.000 1.120 450 F CA -0.620 57.391 58.000 0.018 0.000 1.102 450 F CB 1.526 40.602 39.000 0.127 0.000 1.183 450 F HN 0.137 nan 8.300 nan 0.000 0.476 451 V N 0.220 120.146 119.914 0.019 0.000 3.102 451 V HA 0.979 5.099 4.120 0.001 0.000 0.312 451 V C -0.614 175.545 176.094 0.109 0.000 1.135 451 V CA -0.899 61.352 62.300 -0.083 0.000 1.022 451 V CB 1.855 33.161 31.823 -0.862 0.000 1.056 451 V HN 0.684 nan 8.190 nan 0.000 0.436 452 S N 0.609 116.440 115.700 0.218 0.000 2.556 452 S HA 0.851 5.321 4.470 0.001 0.000 0.271 452 S C -0.733 174.051 174.600 0.306 0.000 1.135 452 S CA -0.136 58.233 58.200 0.283 0.000 0.858 452 S CB 1.560 64.933 63.200 0.288 0.000 1.114 452 S HN 1.903 nan 8.310 nan 0.000 0.468 453 S N 0.046 115.903 115.700 0.261 0.000 2.588 453 S HA 0.634 5.105 4.470 0.001 0.000 0.275 453 S C 0.675 175.349 174.600 0.123 0.000 1.130 453 S CA -0.007 58.310 58.200 0.194 0.000 0.855 453 S CB 1.608 64.930 63.200 0.202 0.000 1.116 453 S HN 1.424 nan 8.310 nan 0.000 0.472 454 S N 1.656 117.400 115.700 0.075 0.000 2.558 454 S HA 0.452 4.922 4.470 0.001 0.000 0.217 454 S C 0.706 175.333 174.600 0.045 0.000 0.975 454 S CA 0.214 58.445 58.200 0.051 0.000 0.912 454 S CB -0.191 63.025 63.200 0.027 0.000 0.776 454 S HN 0.984 nan 8.310 nan 0.000 0.526 455 A N 1.308 124.158 122.820 0.050 0.000 2.288 455 A HA 0.704 5.024 4.320 0.001 0.000 0.328 455 A C 1.047 178.656 177.584 0.041 0.000 1.123 455 A CA -0.267 51.791 52.037 0.035 0.000 0.861 455 A CB 1.035 20.049 19.000 0.023 0.000 1.272 455 A HN 0.800 nan 8.150 nan 0.000 0.490 456 V N -2.365 117.561 119.914 0.021 0.000 3.573 456 V HA 0.294 4.414 4.120 0.001 0.000 0.270 456 V C 0.115 176.199 176.094 -0.018 0.000 1.221 456 V CA 1.454 63.760 62.300 0.010 0.000 1.163 456 V CB -1.093 30.730 31.823 0.001 0.000 0.847 456 V HN 0.803 nan 8.190 nan 0.000 0.468 457 D N -1.994 118.399 120.400 -0.011 0.000 2.706 457 D HA 0.588 5.228 4.640 0.001 0.000 0.227 457 D C -0.772 175.525 176.300 -0.004 0.000 1.233 457 D CA 0.416 54.399 54.000 -0.029 0.000 0.768 457 D CB 2.149 42.918 40.800 -0.051 0.000 1.490 457 D HN 0.185 nan 8.370 nan 0.000 0.458 458 T N 0.731 115.273 114.554 -0.021 0.000 2.654 458 T HA 0.402 4.753 4.350 0.001 0.000 0.303 458 T C -2.001 172.617 174.700 -0.138 0.000 1.656 458 T CA -0.562 61.508 62.100 -0.051 0.000 0.971 458 T CB 0.901 69.713 68.868 -0.094 0.000 1.811 458 T HN 0.305 nan 8.240 nan 0.000 0.483 459 D N -0.008 120.215 120.400 -0.294 0.000 2.374 459 D HA 0.739 5.379 4.640 0.001 0.000 0.239 459 D C -1.236 174.712 176.300 -0.588 0.000 0.991 459 D CA -0.027 53.802 54.000 -0.286 0.000 0.960 459 D CB 1.226 41.894 40.800 -0.220 0.000 1.284 459 D HN 0.325 nan 8.370 nan 0.000 0.512 460 F N 0.106 120.040 119.950 -0.026 0.000 2.561 460 F HA 0.351 4.878 4.527 0.000 0.000 0.313 460 F C 0.363 176.158 175.800 -0.009 0.000 1.126 460 F CA -0.649 57.359 58.000 0.014 0.000 0.918 460 F CB 2.111 41.135 39.000 0.041 0.000 1.199 460 F HN 0.089 nan 8.300 nan 0.000 0.444 461 T N 0.132 114.790 114.554 0.173 0.000 2.932 461 T HA 0.960 5.310 4.350 0.001 0.000 0.289 461 T C -0.861 173.920 174.700 0.135 0.000 1.039 461 T CA -0.935 61.231 62.100 0.111 0.000 1.024 461 T CB 2.075 70.990 68.868 0.078 0.000 1.090 461 T HN 0.908 nan 8.240 nan 0.000 0.496 462 A N 1.535 124.420 122.820 0.108 0.000 2.427 462 A HA 0.770 5.090 4.320 0.001 0.000 0.298 462 A C -0.789 176.858 177.584 0.104 0.000 1.036 462 A CA -0.932 51.167 52.037 0.102 0.000 0.701 462 A CB 1.590 20.631 19.000 0.068 0.000 1.250 462 A HN 0.963 nan 8.150 nan 0.000 0.412 463 K N 2.427 122.896 120.400 0.114 0.000 2.471 463 K HA 0.574 4.895 4.320 0.001 0.000 0.252 463 K C -1.814 174.861 176.600 0.124 0.000 0.938 463 K CA -0.707 55.654 56.287 0.122 0.000 0.796 463 K CB 1.645 34.226 32.500 0.135 0.000 1.161 463 K HN 0.638 nan 8.250 nan 0.000 0.425 464 L N 4.771 126.066 121.223 0.120 0.000 2.312 464 L HA 0.474 4.814 4.340 0.001 0.000 0.281 464 L C -1.338 175.645 176.870 0.188 0.000 1.070 464 L CA -0.093 54.826 54.840 0.132 0.000 0.805 464 L CB 1.523 43.648 42.059 0.110 0.000 1.174 464 L HN 0.408 nan 8.230 nan 0.000 0.434 465 V N 3.655 123.706 119.914 0.229 0.000 2.925 465 V HA 0.410 4.530 4.120 0.001 0.000 0.311 465 V C -1.155 175.178 176.094 0.399 0.000 1.104 465 V CA -0.845 61.618 62.300 0.273 0.000 0.954 465 V CB 2.035 34.004 31.823 0.243 0.000 1.022 465 V HN 0.729 nan 8.190 nan 0.000 0.427 466 D N 2.726 123.364 120.400 0.397 0.000 2.392 466 D HA 0.384 5.024 4.640 0.001 0.000 0.228 466 D C -0.709 175.875 176.300 0.472 0.000 1.074 466 D CA -0.133 54.151 54.000 0.473 0.000 0.838 466 D CB 1.794 42.699 40.800 0.176 0.000 1.067 466 D HN 0.239 nan 8.370 nan 0.000 0.511 467 V N 5.227 125.376 119.914 0.391 0.000 2.408 467 V HA 0.250 4.370 4.120 0.001 0.000 0.267 467 V C 0.367 176.575 176.094 0.189 0.000 1.047 467 V CA -0.537 61.947 62.300 0.306 0.000 0.937 467 V CB 0.072 32.016 31.823 0.200 0.000 0.999 467 V HN 0.351 nan 8.190 nan 0.000 0.472 468 F N 6.444 126.327 119.950 -0.111 0.000 2.380 468 F HA 0.372 4.899 4.527 0.000 0.000 0.325 468 F C -0.988 174.645 175.800 -0.278 0.000 1.136 468 F CA -1.971 55.790 58.000 -0.397 0.000 1.171 468 F CB 0.554 39.426 39.000 -0.213 0.000 1.230 468 F HN 0.342 nan 8.300 nan 0.000 0.554 469 P HA -0.172 nan 4.420 nan 0.000 0.216 469 P C 0.677 177.984 177.300 0.011 0.000 1.150 469 P CA 1.596 64.657 63.100 -0.065 0.000 0.837 469 P CB -0.027 31.633 31.700 -0.067 0.000 0.786 470 D N -2.478 117.951 120.400 0.048 0.000 2.371 470 D HA 0.063 4.703 4.640 0.001 0.000 0.221 470 D C 1.459 177.773 176.300 0.023 0.000 0.986 470 D CA 1.024 55.044 54.000 0.034 0.000 0.899 470 D CB -0.679 40.139 40.800 0.029 0.000 0.902 470 D HN 0.249 nan 8.370 nan 0.000 0.530 471 G N -0.210 108.617 108.800 0.044 0.000 2.307 471 G HA2 -0.271 3.689 3.960 0.001 0.000 0.210 471 G HA3 -0.271 3.689 3.960 0.001 0.000 0.210 471 G C 0.315 175.236 174.900 0.034 0.000 1.005 471 G CA -0.331 44.793 45.100 0.040 0.000 0.634 471 G HN 0.351 nan 8.290 nan 0.000 0.496 472 R N 1.228 121.717 120.500 -0.018 0.000 2.537 472 R HA 0.430 4.770 4.340 0.001 0.000 0.281 472 R C 0.417 176.733 176.300 0.027 0.000 0.988 472 R CA 0.797 56.837 56.100 -0.100 0.000 1.077 472 R CB 0.531 30.620 30.300 -0.352 0.000 0.932 472 R HN 0.616 nan 8.270 nan 0.000 0.409 473 A N 5.885 128.717 122.820 0.021 0.000 2.511 473 A HA 0.283 4.603 4.320 0.001 0.000 0.340 473 A C -0.251 177.381 177.584 0.081 0.000 1.396 473 A CA -0.711 51.406 52.037 0.133 0.000 0.887 473 A CB 0.346 19.454 19.000 0.179 0.000 1.145 473 A HN 0.478 nan 8.150 nan 0.000 0.497 474 I N 2.435 123.087 120.570 0.138 0.000 2.396 474 I HA 0.274 4.444 4.170 0.001 0.000 0.289 474 I C 1.081 177.302 176.117 0.172 0.000 1.056 474 I CA -0.174 61.184 61.300 0.098 0.000 1.365 474 I CB 0.466 38.526 38.000 0.100 0.000 1.407 474 I HN 0.647 nan 8.210 nan 0.000 0.509 475 A N 7.057 129.961 122.820 0.140 0.000 2.462 475 A HA 0.398 4.718 4.320 0.001 0.000 0.243 475 A C 0.848 178.627 177.584 0.325 0.000 1.076 475 A CA 0.099 52.258 52.037 0.204 0.000 0.773 475 A CB 0.508 19.613 19.000 0.173 0.000 1.010 475 A HN 0.843 nan 8.150 nan 0.000 0.493 476 L N 1.085 122.468 121.223 0.267 0.000 2.670 476 L HA 0.221 4.562 4.340 0.001 0.000 0.177 476 L C 0.563 177.471 176.870 0.063 0.000 1.181 476 L CA 0.629 55.579 54.840 0.184 0.000 0.856 476 L CB 0.209 42.313 42.059 0.075 0.000 1.205 476 L HN 0.963 nan 8.230 nan 0.000 0.506 477 C N -1.509 117.837 119.300 0.076 0.000 3.173 477 C HA 0.755 5.216 4.460 0.001 0.000 0.310 477 C C -1.662 173.387 174.990 0.098 0.000 1.306 477 C CA -0.853 58.200 59.018 0.057 0.000 1.426 477 C CB 1.647 29.395 27.740 0.013 0.000 1.800 477 C HN 0.567 nan 8.230 nan 0.000 0.470 478 D N 0.297 120.761 120.400 0.107 0.000 2.615 478 D HA 0.678 5.318 4.640 0.001 0.000 0.267 478 D C -0.606 175.773 176.300 0.132 0.000 1.236 478 D CA -0.055 54.019 54.000 0.123 0.000 0.839 478 D CB 1.681 42.570 40.800 0.148 0.000 1.380 478 D HN 1.339 nan 8.370 nan 0.000 0.433 479 G N -0.652 108.222 108.800 0.122 0.000 2.687 479 G HA2 0.614 4.574 3.960 0.001 0.000 0.291 479 G HA3 0.614 4.574 3.960 0.001 0.000 0.291 479 G C -1.753 173.164 174.900 0.030 0.000 1.420 479 G CA -0.796 44.357 45.100 0.088 0.000 0.796 479 G HN 0.661 nan 8.290 nan 0.000 0.485 480 I N -0.842 119.664 120.570 -0.107 0.000 2.913 480 I HA 0.736 4.907 4.170 0.001 0.000 0.302 480 I C -1.592 174.444 176.117 -0.134 0.000 1.246 480 I CA -1.206 59.991 61.300 -0.172 0.000 1.010 480 I CB 2.398 40.104 38.000 -0.491 0.000 1.259 480 I HN 0.549 nan 8.210 nan 0.000 0.434 481 V N 6.624 126.511 119.914 -0.045 0.000 2.569 481 V HA 0.549 4.670 4.120 0.001 0.000 0.301 481 V C -0.833 175.283 176.094 0.038 0.000 1.044 481 V CA -0.525 61.780 62.300 0.007 0.000 0.874 481 V CB 1.823 33.676 31.823 0.049 0.000 1.002 481 V HN 0.816 nan 8.190 nan 0.000 0.424 482 R N 6.577 127.118 120.500 0.068 0.000 2.202 482 R HA 0.344 4.684 4.340 0.001 0.000 0.334 482 R C 1.246 177.595 176.300 0.081 0.000 1.036 482 R CA -0.560 55.600 56.100 0.100 0.000 0.878 482 R CB 0.962 31.412 30.300 0.251 0.000 1.067 482 R HN 0.785 nan 8.270 nan 0.000 0.457 483 M N 3.862 123.476 119.600 0.024 0.000 2.143 483 M HA -0.257 4.223 4.480 0.001 0.000 0.258 483 M C 1.821 178.041 176.300 -0.133 0.000 1.071 483 M CA 1.909 57.189 55.300 -0.034 0.000 1.088 483 M CB -0.877 31.706 32.600 -0.028 0.000 1.360 483 M HN 0.653 nan 8.290 nan 0.000 0.404 484 R N -0.693 119.678 120.500 -0.215 0.000 2.193 484 R HA -0.161 4.179 4.340 0.001 0.000 0.229 484 R C 0.697 176.761 176.300 -0.393 0.000 1.110 484 R CA 1.389 57.272 56.100 -0.363 0.000 0.988 484 R CB -0.616 29.369 30.300 -0.524 0.000 0.871 484 R HN 0.324 nan 8.270 nan 0.000 0.458 485 Y N 1.694 121.971 120.300 -0.039 0.000 2.607 485 Y HA 0.286 4.837 4.550 0.001 0.000 0.266 485 Y C 1.742 177.613 175.900 -0.047 0.000 1.178 485 Y CA -0.916 57.161 58.100 -0.038 0.000 1.226 485 Y CB 0.109 38.558 38.460 -0.019 0.000 1.144 485 Y HN 0.099 nan 8.280 nan 0.000 0.528 486 R N 0.332 120.853 120.500 0.036 0.000 2.105 486 R HA -0.177 4.163 4.340 0.001 0.000 0.239 486 R C 0.841 177.142 176.300 0.000 0.000 1.135 486 R CA 2.204 58.304 56.100 0.001 0.000 0.967 486 R CB -0.336 29.925 30.300 -0.065 0.000 0.861 486 R HN 0.372 nan 8.270 nan 0.000 0.442 487 E N 0.028 120.228 120.200 0.001 0.000 2.340 487 E HA 0.054 4.404 4.350 0.001 0.000 0.198 487 E C 0.117 176.724 176.600 0.011 0.000 0.961 487 E CA 0.662 57.063 56.400 0.001 0.000 0.905 487 E CB 0.910 30.608 29.700 -0.003 0.000 0.884 487 E HN 0.243 nan 8.360 nan 0.000 0.491 488 T N -0.900 113.679 114.554 0.040 0.000 3.047 488 T HA 0.261 4.612 4.350 0.001 0.000 0.340 488 T C -0.245 174.519 174.700 0.107 0.000 1.421 488 T CA -0.598 61.524 62.100 0.037 0.000 1.090 488 T CB 1.032 69.911 68.868 0.019 0.000 1.292 488 T HN -0.015 nan 8.240 nan 0.000 0.480 489 L N 3.724 124.941 121.223 -0.011 0.000 2.492 489 L HA 0.153 4.493 4.340 0.001 0.000 0.223 489 L C 2.052 178.844 176.870 -0.129 0.000 1.132 489 L CA 0.310 55.058 54.840 -0.154 0.000 0.850 489 L CB -0.040 41.788 42.059 -0.386 0.000 0.966 489 L HN 0.524 nan 8.230 nan 0.000 0.454 490 V N -0.861 119.023 119.914 -0.050 0.000 2.492 490 V HA -0.033 4.087 4.120 0.001 0.000 0.241 490 V C 0.250 176.373 176.094 0.047 0.000 1.041 490 V CA 0.966 63.245 62.300 -0.034 0.000 1.057 490 V CB -0.298 31.495 31.823 -0.049 0.000 0.711 490 V HN 0.454 nan 8.190 nan 0.000 0.468 491 N N 1.149 119.882 118.700 0.055 0.000 2.904 491 N HA 0.320 5.060 4.740 0.001 0.000 0.257 491 N C -2.842 172.688 175.510 0.032 0.000 1.363 491 N CA -1.008 52.068 53.050 0.043 0.000 0.856 491 N CB 1.111 39.609 38.487 0.019 0.000 1.166 491 N HN 0.344 nan 8.380 nan 0.000 0.499 492 P HA 0.085 nan 4.420 nan 0.000 0.269 492 P C -0.470 176.760 177.300 -0.116 0.000 1.215 492 P CA 0.022 63.052 63.100 -0.118 0.000 0.780 492 P CB 1.040 32.505 31.700 -0.391 0.000 0.898 493 T N -0.532 113.939 114.554 -0.139 0.000 2.916 493 T HA 0.578 4.929 4.350 0.001 0.000 0.305 493 T C 0.064 174.683 174.700 -0.134 0.000 1.119 493 T CA -0.939 61.100 62.100 -0.102 0.000 1.008 493 T CB 0.749 69.582 68.868 -0.059 0.000 1.129 493 T HN 0.156 nan 8.240 nan 0.000 0.480 494 L N 2.050 123.213 121.223 -0.100 0.000 2.479 494 L HA 0.643 4.984 4.340 0.001 0.000 0.249 494 L C 0.540 177.351 176.870 -0.098 0.000 1.178 494 L CA -1.271 53.509 54.840 -0.101 0.000 0.811 494 L CB 0.464 42.486 42.059 -0.060 0.000 1.187 494 L HN 0.732 nan 8.230 nan 0.000 0.480 495 I N -2.468 118.041 120.570 -0.101 0.000 2.863 495 I HA 0.491 4.661 4.170 0.001 0.000 0.311 495 I C -0.714 175.461 176.117 0.097 0.000 1.026 495 I CA -0.843 60.411 61.300 -0.076 0.000 1.077 495 I CB 1.782 39.594 38.000 -0.314 0.000 1.262 495 I HN 0.511 nan 8.210 nan 0.000 0.461 496 E N 2.497 122.852 120.200 0.258 0.000 2.175 496 E HA 0.509 4.859 4.350 0.001 0.000 0.278 496 E C -0.429 176.281 176.600 0.182 0.000 0.969 496 E CA -0.982 55.523 56.400 0.176 0.000 0.796 496 E CB 1.873 31.659 29.700 0.143 0.000 1.104 496 E HN 0.778 nan 8.360 nan 0.000 0.395 497 A N 2.122 125.010 122.820 0.113 0.000 2.546 497 A HA 0.347 4.667 4.320 0.001 0.000 0.243 497 A C 1.355 178.992 177.584 0.088 0.000 1.063 497 A CA 0.892 52.989 52.037 0.100 0.000 0.757 497 A CB -0.445 18.593 19.000 0.064 0.000 0.991 497 A HN 0.895 nan 8.150 nan 0.000 0.503 498 G N 1.088 109.946 108.800 0.097 0.000 2.304 498 G HA2 -0.278 3.682 3.960 0.001 0.000 0.252 498 G HA3 -0.278 3.682 3.960 0.001 0.000 0.252 498 G C 0.324 175.239 174.900 0.024 0.000 1.014 498 G CA 0.653 45.792 45.100 0.066 0.000 0.619 498 G HN 1.110 nan 8.290 nan 0.000 0.525 499 E N 0.667 120.873 120.200 0.011 0.000 2.360 499 E HA 0.465 4.815 4.350 0.001 0.000 0.269 499 E C 0.423 176.864 176.600 -0.266 0.000 1.022 499 E CA -0.610 55.690 56.400 -0.167 0.000 0.887 499 E CB 0.233 29.775 29.700 -0.264 0.000 0.990 499 E HN 0.382 nan 8.360 nan 0.000 0.426 500 I N 4.935 125.297 120.570 -0.347 0.000 2.371 500 I HA 0.133 4.303 4.170 0.001 0.000 0.290 500 I C -0.717 175.185 176.117 -0.358 0.000 1.028 500 I CA -0.266 60.855 61.300 -0.298 0.000 1.345 500 I CB 0.341 38.130 38.000 -0.351 0.000 1.407 500 I HN 0.493 nan 8.210 nan 0.000 0.501 501 Y N 4.041 124.324 120.300 -0.029 0.000 2.485 501 Y HA 0.356 4.907 4.550 0.000 0.000 0.345 501 Y C 0.114 175.915 175.900 -0.166 0.000 0.998 501 Y CA -0.844 57.222 58.100 -0.056 0.000 1.059 501 Y CB 1.582 40.012 38.460 -0.050 0.000 1.234 501 Y HN 0.462 nan 8.280 nan 0.000 0.461 502 E N 3.101 123.231 120.200 -0.117 0.000 2.109 502 E HA 0.524 4.874 4.350 0.001 0.000 0.278 502 E C -1.421 175.023 176.600 -0.261 0.000 0.954 502 E CA -0.636 55.461 56.400 -0.505 0.000 0.779 502 E CB 0.916 30.181 29.700 -0.724 0.000 1.093 502 E HN 0.545 nan 8.360 nan 0.000 0.401 503 V N 0.842 120.603 119.914 -0.255 0.000 2.864 503 V HA 0.918 5.039 4.120 0.001 0.000 0.314 503 V C -0.388 175.611 176.094 -0.158 0.000 1.073 503 V CA -0.941 61.269 62.300 -0.150 0.000 0.956 503 V CB 1.532 33.301 31.823 -0.091 0.000 1.023 503 V HN 0.667 nan 8.190 nan 0.000 0.435 504 A N 3.958 126.716 122.820 -0.104 0.000 2.312 504 A HA 0.907 5.227 4.320 0.001 0.000 0.326 504 A C -0.536 177.012 177.584 -0.059 0.000 1.172 504 A CA -0.747 51.233 52.037 -0.095 0.000 0.821 504 A CB 0.742 19.696 19.000 -0.077 0.000 1.166 504 A HN 0.921 nan 8.150 nan 0.000 0.493 505 I N 1.984 122.522 120.570 -0.054 0.000 2.410 505 I HA 0.192 4.362 4.170 0.001 0.000 0.286 505 I C -0.876 175.230 176.117 -0.019 0.000 1.009 505 I CA -0.613 60.672 61.300 -0.026 0.000 1.111 505 I CB 1.882 39.879 38.000 -0.006 0.000 1.262 505 I HN 0.617 nan 8.210 nan 0.000 0.443 506 D N 7.645 128.037 120.400 -0.014 0.000 2.336 506 D HA 0.211 4.851 4.640 0.001 0.000 0.249 506 D C 0.130 176.444 176.300 0.024 0.000 1.213 506 D CA 0.075 54.076 54.000 0.001 0.000 0.870 506 D CB 1.032 41.826 40.800 -0.009 0.000 1.076 506 D HN 0.447 nan 8.370 nan 0.000 0.483 507 M N 4.829 124.453 119.600 0.040 0.000 2.637 507 M HA 0.162 4.643 4.480 0.001 0.000 0.286 507 M C 0.914 177.259 176.300 0.076 0.000 1.246 507 M CA -0.371 54.965 55.300 0.059 0.000 0.978 507 M CB 0.027 32.659 32.600 0.053 0.000 1.417 507 M HN 0.399 nan 8.290 nan 0.000 0.487 508 L N -0.734 120.538 121.223 0.082 0.000 6.079 508 L HA -0.372 3.968 4.340 0.001 0.000 0.053 508 L C 0.298 177.267 176.870 0.164 0.000 2.483 508 L CA 1.318 56.224 54.840 0.111 0.000 1.581 508 L CB -1.565 40.552 42.059 0.098 0.000 2.843 508 L HN 0.472 nan 8.230 nan 0.000 1.020 509 A N -1.584 121.349 122.820 0.188 0.000 2.599 509 A HA 0.808 5.128 4.320 0.001 0.000 0.290 509 A C -0.675 176.961 177.584 0.088 0.000 1.101 509 A CA 0.522 52.708 52.037 0.248 0.000 0.674 509 A CB 2.148 21.469 19.000 0.535 0.000 1.277 509 A HN 0.659 nan 8.150 nan 0.000 0.419 510 T N -0.855 113.600 114.554 -0.165 0.000 2.718 510 T HA 0.656 5.006 4.350 0.001 0.000 0.306 510 T C -1.703 172.351 174.700 -1.077 0.000 1.485 510 T CA 0.381 61.988 62.100 -0.821 0.000 0.997 510 T CB 1.479 70.061 68.868 -0.477 0.000 1.504 510 T HN 1.864 nan 8.240 nan 0.000 0.497 511 S N 1.877 116.732 115.700 -1.409 0.000 2.737 511 S HA 0.656 5.127 4.470 0.001 0.000 0.269 511 S C -1.553 172.673 174.600 -0.624 0.000 1.150 511 S CA -0.614 57.104 58.200 -0.803 0.000 1.077 511 S CB 0.111 62.941 63.200 -0.616 0.000 1.075 511 S HN 0.767 nan 8.310 nan 0.000 0.476 512 N N 2.673 121.116 118.700 -0.428 0.000 2.324 512 N HA 0.492 5.232 4.740 0.001 0.000 0.285 512 N C -1.786 173.500 175.510 -0.373 0.000 1.076 512 N CA -0.438 52.344 53.050 -0.446 0.000 0.864 512 N CB 1.936 40.060 38.487 -0.605 0.000 1.632 512 N HN 0.286 nan 8.380 nan 0.000 0.478 513 V N 3.746 123.445 119.914 -0.359 0.000 2.333 513 V HA 0.435 4.555 4.120 0.001 0.000 0.274 513 V C -0.573 175.311 176.094 -0.350 0.000 1.028 513 V CA -0.465 61.693 62.300 -0.238 0.000 0.851 513 V CB 0.008 31.714 31.823 -0.194 0.000 1.000 513 V HN 0.540 nan 8.190 nan 0.000 0.456 514 F N 5.684 125.495 119.950 -0.231 0.000 2.434 514 F HA 0.393 4.920 4.527 0.000 0.000 0.358 514 F C 0.554 176.166 175.800 -0.313 0.000 1.136 514 F CA -0.156 57.672 58.000 -0.286 0.000 1.157 514 F CB 0.239 39.145 39.000 -0.155 0.000 1.167 514 F HN 0.265 nan 8.300 nan 0.000 0.539 515 L N 5.186 126.138 121.223 -0.450 0.000 2.466 515 L HA 0.336 4.676 4.340 0.001 0.000 0.257 515 L C -2.061 174.770 176.870 -0.065 0.000 1.189 515 L CA -2.080 52.583 54.840 -0.294 0.000 0.813 515 L CB 0.221 42.036 42.059 -0.407 0.000 1.118 515 L HN 0.301 nan 8.230 nan 0.000 0.471 516 P HA 0.041 nan 4.420 nan 0.000 0.266 516 P C 0.589 177.966 177.300 0.129 0.000 1.195 516 P CA 0.929 64.063 63.100 0.058 0.000 0.768 516 P CB 0.687 32.406 31.700 0.032 0.000 0.838 517 G N 0.721 109.589 108.800 0.114 0.000 2.234 517 G HA2 -0.188 3.772 3.960 0.001 0.000 0.235 517 G HA3 -0.188 3.772 3.960 0.001 0.000 0.235 517 G C 0.258 175.195 174.900 0.062 0.000 0.997 517 G CA -0.305 44.846 45.100 0.085 0.000 0.623 517 G HN 0.635 nan 8.290 nan 0.000 0.514 518 H N 0.131 119.187 119.070 -0.023 0.000 2.523 518 H HA 0.707 5.263 4.556 0.001 0.000 0.345 518 H C 0.341 175.699 175.328 0.050 0.000 1.261 518 H CA -0.365 55.678 56.048 -0.009 0.000 1.343 518 H CB 1.033 30.760 29.762 -0.058 0.000 1.650 518 H HN 0.207 nan 8.280 nan 0.000 0.591 519 R N 0.514 121.143 120.500 0.216 0.000 2.744 519 R HA 0.418 4.758 4.340 0.001 0.000 0.279 519 R C -0.767 175.605 176.300 0.121 0.000 0.977 519 R CA -0.800 55.376 56.100 0.126 0.000 0.906 519 R CB 2.092 32.447 30.300 0.093 0.000 1.197 519 R HN 0.410 nan 8.270 nan 0.000 0.463 520 I N 3.064 123.572 120.570 -0.103 0.000 2.342 520 I HA 0.332 4.502 4.170 0.001 0.000 0.291 520 I C -0.005 176.060 176.117 -0.087 0.000 1.010 520 I CA -0.140 60.948 61.300 -0.353 0.000 1.308 520 I CB 1.269 38.808 38.000 -0.768 0.000 1.400 520 I HN 0.416 nan 8.210 nan 0.000 0.488 521 M N 7.034 126.652 119.600 0.030 0.000 2.518 521 M HA 0.656 5.136 4.480 0.001 0.000 0.300 521 M C -1.958 174.405 176.300 0.104 0.000 1.175 521 M CA -0.607 54.744 55.300 0.085 0.000 0.890 521 M CB 2.408 35.084 32.600 0.125 0.000 1.710 521 M HN 0.282 nan 8.290 nan 0.000 0.453 522 V N 3.583 123.580 119.914 0.138 0.000 2.638 522 V HA 0.430 4.550 4.120 0.001 0.000 0.306 522 V C -1.010 175.212 176.094 0.213 0.000 1.052 522 V CA -0.637 61.758 62.300 0.158 0.000 0.885 522 V CB 2.140 34.042 31.823 0.132 0.000 0.999 522 V HN 0.866 nan 8.190 nan 0.000 0.424 523 Q N 2.773 122.678 119.800 0.175 0.000 2.293 523 Q HA 0.735 5.075 4.340 0.001 0.000 0.261 523 Q C -1.265 174.836 176.000 0.168 0.000 0.960 523 Q CA -0.600 55.297 55.803 0.156 0.000 0.882 523 Q CB 2.722 31.539 28.738 0.132 0.000 1.275 523 Q HN 0.556 nan 8.270 nan 0.000 0.445 524 V N 1.426 121.454 119.914 0.189 0.000 2.604 524 V HA 0.674 4.795 4.120 0.001 0.000 0.305 524 V C -0.353 175.793 176.094 0.086 0.000 1.043 524 V CA -0.288 62.130 62.300 0.197 0.000 0.888 524 V CB 1.802 33.811 31.823 0.311 0.000 0.995 524 V HN 0.838 nan 8.190 nan 0.000 0.429 525 S N 2.431 118.183 115.700 0.087 0.000 2.873 525 S HA 0.538 5.008 4.470 0.001 0.000 0.303 525 S C 0.064 174.686 174.600 0.036 0.000 1.222 525 S CA 0.149 58.295 58.200 -0.090 0.000 0.923 525 S CB 1.990 65.103 63.200 -0.145 0.000 1.286 525 S HN 0.583 nan 8.310 nan 0.000 0.571 526 S N 0.678 116.289 115.700 -0.148 0.000 2.937 526 S HA 0.467 4.937 4.470 0.001 0.000 0.252 526 S C -0.868 173.349 174.600 -0.639 0.000 1.022 526 S CA 0.085 58.033 58.200 -0.420 0.000 1.079 526 S CB 0.419 63.298 63.200 -0.534 0.000 1.035 526 S HN 0.918 nan 8.310 nan 0.000 0.594 527 S N 1.352 116.851 115.700 -0.334 0.000 2.567 527 S HA 0.706 5.176 4.470 0.001 0.000 0.270 527 S C -1.513 173.105 174.600 0.029 0.000 1.152 527 S CA -0.798 57.291 58.200 -0.185 0.000 0.835 527 S CB 1.768 64.856 63.200 -0.187 0.000 1.115 527 S HN 0.041 nan 8.310 nan 0.000 0.459 528 N N 0.417 119.209 118.700 0.153 0.000 3.111 528 N HA 0.281 5.022 4.740 0.001 0.000 0.200 528 N C -2.132 173.512 175.510 0.225 0.000 1.464 528 N CA -0.288 52.875 53.050 0.189 0.000 0.758 528 N CB 0.436 39.063 38.487 0.233 0.000 1.548 528 N HN 0.648 nan 8.380 nan 0.000 0.595 529 F N 3.652 123.632 119.950 0.049 0.000 2.443 529 F HA 0.684 5.212 4.527 0.001 0.000 0.335 529 F C -1.643 174.131 175.800 -0.044 0.000 1.104 529 F CA -2.118 55.891 58.000 0.014 0.000 1.013 529 F CB 1.913 40.934 39.000 0.035 0.000 1.136 529 F HN 0.180 nan 8.300 nan 0.000 0.470 530 P HA 0.033 nan 4.420 nan 0.000 0.258 530 P C 0.576 177.603 177.300 -0.454 0.000 1.416 530 P CA 0.222 62.635 63.100 -1.146 0.000 0.927 530 P CB 0.406 31.263 31.700 -1.406 0.000 1.444 531 K N 0.685 120.897 120.400 -0.313 0.000 2.113 531 K HA -0.130 4.191 4.320 0.001 0.000 0.208 531 K C -0.075 176.160 176.600 -0.608 0.000 1.047 531 K CA 1.491 57.519 56.287 -0.431 0.000 0.928 531 K CB -0.549 31.674 32.500 -0.462 0.000 0.716 531 K HN 0.102 nan 8.250 nan 0.000 0.446 532 Y N 0.685 120.978 120.300 -0.012 0.000 2.512 532 Y HA 0.224 4.774 4.550 0.000 0.000 0.348 532 Y C -0.459 175.528 175.900 0.144 0.000 0.990 532 Y CA -2.193 55.923 58.100 0.027 0.000 1.033 532 Y CB 1.266 39.746 38.460 0.033 0.000 1.259 532 Y HN 0.105 nan 8.280 nan 0.000 0.461 533 D N 1.251 121.838 120.400 0.312 0.000 2.360 533 D HA 0.136 4.776 4.640 0.001 0.000 0.242 533 D C -0.550 175.929 176.300 0.298 0.000 1.184 533 D CA -0.499 53.711 54.000 0.349 0.000 0.930 533 D CB 0.771 41.706 40.800 0.225 0.000 1.161 533 D HN 0.493 nan 8.370 nan 0.000 0.447 534 R N 0.709 121.339 120.500 0.218 0.000 2.340 534 R HA 0.197 4.537 4.340 0.001 0.000 0.300 534 R C 0.201 176.596 176.300 0.158 0.000 1.069 534 R CA -0.485 55.705 56.100 0.151 0.000 0.984 534 R CB 0.173 30.475 30.300 0.003 0.000 1.003 534 R HN 0.505 nan 8.270 nan 0.000 0.459 535 N N 0.257 119.075 118.700 0.196 0.000 2.497 535 N HA -0.060 4.680 4.740 0.001 0.000 0.268 535 N C 0.794 176.409 175.510 0.176 0.000 1.171 535 N CA -0.191 52.959 53.050 0.167 0.000 0.948 535 N CB 0.786 39.351 38.487 0.130 0.000 1.069 535 N HN 0.596 nan 8.380 nan 0.000 0.460 536 S N 2.677 118.427 115.700 0.084 0.000 2.522 536 S HA -0.030 4.440 4.470 0.001 0.000 0.227 536 S C 0.292 174.892 174.600 0.000 0.000 0.986 536 S CA -0.040 58.173 58.200 0.022 0.000 0.929 536 S CB -0.130 63.077 63.200 0.012 0.000 0.769 536 S HN 0.798 nan 8.310 nan 0.000 0.529 537 N N 1.099 119.822 118.700 0.038 0.000 2.747 537 N HA -0.134 4.606 4.740 0.001 0.000 0.249 537 N C 0.599 176.107 175.510 -0.003 0.000 1.107 537 N CA 1.453 54.516 53.050 0.021 0.000 0.707 537 N CB -2.074 36.410 38.487 -0.005 0.000 1.054 537 N HN 0.875 nan 8.380 nan 0.000 0.555 538 T N -5.967 108.585 114.554 -0.003 0.000 2.964 538 T HA 0.422 4.772 4.350 0.001 0.000 0.250 538 T C 1.327 176.020 174.700 -0.012 0.000 0.982 538 T CA 1.227 63.321 62.100 -0.009 0.000 0.959 538 T CB 0.924 69.786 68.868 -0.010 0.000 1.141 538 T HN 0.773 nan 8.240 nan 0.000 0.494 539 G N 0.929 109.719 108.800 -0.016 0.000 2.157 539 G HA2 -0.007 3.953 3.960 0.001 0.000 0.248 539 G HA3 -0.007 3.953 3.960 0.001 0.000 0.248 539 G C 0.518 175.404 174.900 -0.024 0.000 0.979 539 G CA 0.029 45.110 45.100 -0.032 0.000 0.650 539 G HN 1.031 nan 8.290 nan 0.000 0.529 540 G N -1.135 107.660 108.800 -0.009 0.000 2.532 540 G HA2 0.577 4.537 3.960 0.001 0.000 0.291 540 G HA3 0.577 4.537 3.960 0.001 0.000 0.291 540 G C 0.239 175.147 174.900 0.013 0.000 1.349 540 G CA 0.050 45.149 45.100 -0.001 0.000 1.038 540 G HN 0.891 nan 8.290 nan 0.000 0.518 541 V N 1.674 121.600 119.914 0.019 0.000 2.352 541 V HA 0.051 4.171 4.120 0.001 0.000 0.253 541 V C 1.643 177.765 176.094 0.047 0.000 1.083 541 V CA -0.014 62.309 62.300 0.037 0.000 0.993 541 V CB -0.199 31.640 31.823 0.027 0.000 1.111 541 V HN 0.591 nan 8.190 nan 0.000 0.490 542 I N 3.570 124.180 120.570 0.067 0.000 2.143 542 I HA -0.320 3.850 4.170 0.001 0.000 0.245 542 I C 2.488 178.646 176.117 0.069 0.000 1.068 542 I CA 2.144 63.487 61.300 0.072 0.000 1.326 542 I CB -0.288 37.774 38.000 0.104 0.000 1.028 542 I HN 0.664 nan 8.210 nan 0.000 0.412 543 A N -0.093 122.778 122.820 0.084 0.000 2.172 543 A HA -0.076 4.245 4.320 0.001 0.000 0.216 543 A C 2.087 179.698 177.584 0.046 0.000 1.154 543 A CA 1.075 53.155 52.037 0.072 0.000 0.701 543 A CB -0.263 18.788 19.000 0.086 0.000 0.789 543 A HN 0.285 nan 8.150 nan 0.000 0.465 544 R N 0.193 120.714 120.500 0.037 0.000 2.397 544 R HA 0.186 4.527 4.340 0.001 0.000 0.241 544 R C -0.382 175.928 176.300 0.016 0.000 0.914 544 R CA 0.083 56.196 56.100 0.021 0.000 1.071 544 R CB 0.154 30.462 30.300 0.015 0.000 1.116 544 R HN 0.641 nan 8.270 nan 0.000 0.524 545 E N 1.355 121.566 120.200 0.018 0.000 2.319 545 E HA 0.159 4.509 4.350 0.001 0.000 0.268 545 E C -0.376 176.225 176.600 0.002 0.000 1.050 545 E CA -0.295 56.109 56.400 0.008 0.000 0.878 545 E CB 1.033 30.737 29.700 0.006 0.000 1.066 545 E HN -0.020 nan 8.360 nan 0.000 0.406 546 Q N 1.556 121.353 119.800 -0.004 0.000 2.243 546 Q HA 0.086 4.426 4.340 0.001 0.000 0.252 546 Q C 0.710 176.698 176.000 -0.019 0.000 0.909 546 Q CA -0.413 55.385 55.803 -0.009 0.000 0.922 546 Q CB 1.372 30.105 28.738 -0.009 0.000 1.215 546 Q HN 0.462 nan 8.270 nan 0.000 0.427 547 L N 2.504 123.712 121.223 -0.026 0.000 2.051 547 L HA -0.261 4.079 4.340 0.001 0.000 0.214 547 L C 1.613 178.457 176.870 -0.044 0.000 1.076 547 L CA 2.056 56.871 54.840 -0.043 0.000 0.758 547 L CB -0.190 41.840 42.059 -0.048 0.000 0.890 547 L HN 0.649 nan 8.230 nan 0.000 0.433 548 E N 0.158 120.338 120.200 -0.032 0.000 2.265 548 E HA -0.162 4.188 4.350 0.001 0.000 0.196 548 E C 1.802 178.384 176.600 -0.030 0.000 0.996 548 E CA 1.098 57.480 56.400 -0.031 0.000 0.832 548 E CB -0.149 29.538 29.700 -0.022 0.000 0.756 548 E HN 0.666 nan 8.360 nan 0.000 0.491 549 E N -0.742 119.442 120.200 -0.027 0.000 2.476 549 E HA 0.144 4.495 4.350 0.001 0.000 0.196 549 E C 0.253 176.835 176.600 -0.030 0.000 1.029 549 E CA -0.203 56.182 56.400 -0.024 0.000 0.896 549 E CB 0.294 29.984 29.700 -0.017 0.000 1.012 549 E HN 0.234 nan 8.360 nan 0.000 0.475 550 M N 0.174 119.749 119.600 -0.042 0.000 2.371 550 M HA 0.292 4.772 4.480 0.001 0.000 0.301 550 M C -0.113 176.146 176.300 -0.068 0.000 1.173 550 M CA -0.408 54.860 55.300 -0.053 0.000 1.020 550 M CB 1.182 33.741 32.600 -0.069 0.000 1.490 550 M HN -0.023 nan 8.290 nan 0.000 0.485 551 C N -0.083 119.169 119.300 -0.081 0.000 2.667 551 C HA 0.714 5.174 4.460 0.001 0.000 0.323 551 C C 0.518 175.419 174.990 -0.149 0.000 1.214 551 C CA -0.818 58.146 59.018 -0.089 0.000 1.721 551 C CB 1.713 29.418 27.740 -0.057 0.000 2.275 551 C HN 0.896 nan 8.230 nan 0.000 0.491 552 T N -0.197 114.274 114.554 -0.140 0.000 2.902 552 T HA 0.762 5.112 4.350 0.001 0.000 0.280 552 T C -0.420 174.208 174.700 -0.119 0.000 0.992 552 T CA -0.396 61.590 62.100 -0.190 0.000 1.015 552 T CB 1.358 70.148 68.868 -0.129 0.000 1.044 552 T HN 1.244 nan 8.240 nan 0.000 0.520 553 A N 0.944 123.707 122.820 -0.095 0.000 2.455 553 A HA 0.639 4.959 4.320 0.001 0.000 0.300 553 A C -0.731 176.854 177.584 0.001 0.000 1.040 553 A CA -0.869 51.160 52.037 -0.015 0.000 0.697 553 A CB 1.742 20.764 19.000 0.036 0.000 1.265 553 A HN 0.813 nan 8.150 nan 0.000 0.407 554 V N 3.465 123.371 119.914 -0.013 0.000 2.353 554 V HA 0.201 4.321 4.120 0.001 0.000 0.264 554 V C 0.139 176.188 176.094 -0.076 0.000 1.049 554 V CA -0.206 62.069 62.300 -0.043 0.000 0.896 554 V CB 0.078 31.890 31.823 -0.019 0.000 1.025 554 V HN 0.889 nan 8.190 nan 0.000 0.475 555 N N 4.336 122.893 118.700 -0.239 0.000 2.456 555 N HA 0.721 5.461 4.740 0.001 0.000 0.296 555 N C -0.431 174.900 175.510 -0.299 0.000 1.102 555 N CA -0.897 52.024 53.050 -0.214 0.000 0.924 555 N CB 1.886 40.184 38.487 -0.315 0.000 1.186 555 N HN 0.554 nan 8.380 nan 0.000 0.492 556 R N 2.047 122.539 120.500 -0.014 0.000 2.621 556 R HA 0.433 4.774 4.340 0.001 0.000 0.284 556 R C -1.687 174.588 176.300 -0.042 0.000 0.998 556 R CA -0.608 55.445 56.100 -0.079 0.000 0.895 556 R CB 1.006 31.219 30.300 -0.145 0.000 1.195 556 R HN 0.445 nan 8.270 nan 0.000 0.450 557 I N 4.216 124.760 120.570 -0.043 0.000 2.339 557 I HA 0.288 4.458 4.170 0.001 0.000 0.290 557 I C -0.457 175.593 176.117 -0.112 0.000 0.994 557 I CA -0.759 60.549 61.300 0.014 0.000 1.191 557 I CB 1.198 39.296 38.000 0.163 0.000 1.343 557 I HN 0.694 nan 8.210 nan 0.000 0.458 558 H N 5.909 124.992 119.070 0.022 0.000 2.473 558 H HA 0.654 5.210 4.556 0.000 0.000 0.327 558 H C -0.055 175.294 175.328 0.036 0.000 1.105 558 H CA -0.579 55.448 56.048 -0.034 0.000 1.280 558 H CB 1.076 30.697 29.762 -0.235 0.000 1.450 558 H HN 0.440 nan 8.280 nan 0.000 0.492 559 R N 1.785 122.351 120.500 0.110 0.000 2.604 559 R HA 0.781 5.121 4.340 0.001 0.000 0.281 559 R C -0.823 175.517 176.300 0.067 0.000 1.020 559 R CA -1.084 55.076 56.100 0.100 0.000 0.899 559 R CB 2.001 32.360 30.300 0.098 0.000 1.205 559 R HN 0.848 nan 8.270 nan 0.000 0.450 560 G N 1.897 110.714 108.800 0.028 0.000 2.345 560 G HA2 0.148 4.108 3.960 0.001 0.000 0.285 560 G HA3 0.148 4.108 3.960 0.001 0.000 0.285 560 G C -2.721 172.121 174.900 -0.096 0.000 1.297 560 G CA -0.896 44.195 45.100 -0.015 0.000 0.875 560 G HN 0.290 nan 8.290 nan 0.000 0.506 561 P HA -0.008 nan 4.420 nan 0.000 0.215 561 P C 1.397 178.566 177.300 -0.220 0.000 1.153 561 P CA 1.489 64.492 63.100 -0.163 0.000 0.853 561 P CB 0.258 31.884 31.700 -0.122 0.000 0.788 562 E N -1.807 118.244 120.200 -0.249 0.000 2.299 562 E HA -0.043 4.307 4.350 0.001 0.000 0.193 562 E C 0.120 176.162 176.600 -0.930 0.000 0.998 562 E CA 0.866 56.983 56.400 -0.472 0.000 0.851 562 E CB -0.360 29.080 29.700 -0.434 0.000 0.795 562 E HN 0.521 nan 8.360 nan 0.000 0.492 563 H N 0.314 119.049 119.070 -0.558 0.000 2.380 563 H HA 0.168 4.724 4.556 0.001 0.000 0.231 563 H C -2.247 172.652 175.328 -0.715 0.000 1.415 563 H CA -1.663 53.658 56.048 -1.211 0.000 1.433 563 H CB 0.763 30.076 29.762 -0.749 0.000 1.544 563 H HN -0.068 nan 8.280 nan 0.000 0.503 564 P HA 0.010 nan 4.420 nan 0.000 0.231 564 P C -0.280 177.400 177.300 0.632 0.000 1.756 564 P CA -0.064 63.138 63.100 0.169 0.000 0.990 564 P CB -0.111 31.665 31.700 0.127 0.000 1.973 565 S N 2.863 118.876 115.700 0.521 0.000 2.552 565 S HA 0.148 4.618 4.470 0.001 0.000 0.289 565 S C 0.529 175.341 174.600 0.353 0.000 1.304 565 S CA 0.233 58.703 58.200 0.450 0.000 1.063 565 S CB -0.178 63.178 63.200 0.260 0.000 0.848 565 S HN 0.598 nan 8.310 nan 0.000 0.499 566 H N 0.066 119.182 119.070 0.077 0.000 2.967 566 H HA 0.499 5.056 4.556 0.000 0.000 0.318 566 H C -1.400 173.887 175.328 -0.068 0.000 1.375 566 H CA -0.967 55.038 56.048 -0.072 0.000 1.132 566 H CB 0.679 30.233 29.762 -0.347 0.000 1.848 566 H HN 0.563 nan 8.280 nan 0.000 0.524 567 I N 1.799 122.374 120.570 0.010 0.000 2.493 567 I HA 0.389 4.560 4.170 0.001 0.000 0.298 567 I C -0.874 175.312 176.117 0.114 0.000 0.998 567 I CA -1.069 60.223 61.300 -0.013 0.000 1.137 567 I CB 1.364 39.351 38.000 -0.022 0.000 1.310 567 I HN 0.382 nan 8.210 nan 0.000 0.445 568 V N 8.167 128.143 119.914 0.102 0.000 2.348 568 V HA 0.331 4.452 4.120 0.001 0.000 0.270 568 V C 0.064 176.228 176.094 0.116 0.000 1.037 568 V CA -0.462 61.941 62.300 0.172 0.000 0.872 568 V CB 0.901 32.832 31.823 0.181 0.000 1.002 568 V HN 0.504 nan 8.190 nan 0.000 0.464 569 L N 7.752 129.034 121.223 0.097 0.000 2.295 569 L HA 0.485 4.825 4.340 0.001 0.000 0.285 569 L C -2.168 174.687 176.870 -0.025 0.000 1.035 569 L CA -1.808 53.017 54.840 -0.024 0.000 0.806 569 L CB 2.366 44.274 42.059 -0.251 0.000 1.214 569 L HN 0.395 nan 8.230 nan 0.000 0.426 570 P HA 0.124 nan 4.420 nan 0.000 0.260 570 P C -0.539 176.623 177.300 -0.231 0.000 1.651 570 P CA -0.240 62.672 63.100 -0.312 0.000 1.139 570 P CB 0.109 31.625 31.700 -0.306 0.000 1.756 571 I N 5.154 125.618 120.570 -0.177 0.000 2.416 571 I HA 0.207 4.377 4.170 0.001 0.000 0.288 571 I C 0.895 176.940 176.117 -0.120 0.000 1.051 571 I CA -0.437 60.805 61.300 -0.097 0.000 1.375 571 I CB 0.453 38.449 38.000 -0.007 0.000 1.407 571 I HN 0.205 nan 8.210 nan 0.000 0.516 572 I N 5.849 126.365 120.570 -0.090 0.000 2.362 572 I HA 0.333 4.503 4.170 0.001 0.000 0.289 572 I C 0.520 176.608 176.117 -0.048 0.000 0.994 572 I CA -0.747 60.505 61.300 -0.081 0.000 1.158 572 I CB 1.169 39.122 38.000 -0.079 0.000 1.315 572 I HN 0.605 nan 8.210 nan 0.000 0.451 573 K N 7.011 127.387 120.400 -0.040 0.000 2.483 573 K HA 0.805 5.125 4.320 0.001 0.000 0.256 573 K C -0.299 176.287 176.600 -0.022 0.000 0.961 573 K CA -0.712 55.560 56.287 -0.025 0.000 0.873 573 K CB 1.632 34.121 32.500 -0.019 0.000 1.107 573 K HN 0.719 nan 8.250 nan 0.000 0.432 574 R N 0.000 120.488 120.500 -0.020 0.000 2.786 574 R HA 0.000 4.340 4.340 0.001 0.000 0.208 574 R CA 0.000 56.091 56.100 -0.015 0.000 0.921 574 R CB 0.000 30.290 30.300 -0.016 0.000 0.687 574 R HN 0.000 nan 8.270 nan 0.000 0.535